#DEFINITION	Reference Metabolome for Pinellia ternata
#IDENTTFIER	RefMeta-Pinellia ternata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Pinellia ternata
#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 Pinellia ternata 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	1000.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07375	3.4
71.08629	2.2
79.05489	3.4
81.03413	0.6
81.07054	5.4
83.04983	0.4
83.08627	1.5
85.10188	1.4
86.09706	18.4
91.05473	3.3
93.07048	2.8
95.04974	0.8
95.08596	3.4
97.06531	1.0
97.10172	1.3
98.23469	0.9
103.07658	0.3
104.10742	100.0
105.07030	3.9
105.11075	0.5
107.04947	0.8
107.08593	1.9
109.06579	0.7
109.10187	1.6
115.05421	0.4
117.07028	1.3
119.08583	2.7
121.10155	1.2
123.08112	0.3
123.11775	0.5
124.01015	0.3
125.09634	0.9
129.07010	0.5
131.08586	2.1
133.10136	2.2
135.11697	0.6
137.09581	0.4
137.13261	0.3
143.08574	0.4
145.10136	1.3
146.98175	16.3
147.08032	0.4
147.11711	1.4
149.09636	0.6
149.13254	0.5
155.08612	0.4
157.10181	0.8
159.11693	0.9
161.13251	0.9
164.99278	0.4
169.10132	0.3
171.11716	0.6
173.13258	0.6
176.99283	0.5
184.07317	0.9
189.11198	0.3
197.13164	0.4
199.14844	0.6
204.40791	0.3
212.14357	0.4
223.13226	0.5
227.12802	0.6
239.23756	0.4
241.19576	0.6
257.18961	0.3
259.20636	1.6
269.17545	0.4
273.18518	0.5
275.19971	2.0
280.96960	0.3
291.19540	3.9
313.27332	10.8
315.23215	0.4
333.24310	1.7
342.24265	0.7
349.23846	1.5
365.23239	1.7
415.21985	1.8
459.24820	34.3
460.25204	0.5
496.34052	0.5
511.34476	0.4
518.32166	84.0
519.32483	1.7
529.35406	0.4
543.36810	3.1
569.78711	0.4
605.41956	0.6
623.43024	5.1
634.47955	0.4
641.44189	1.0
1000.59619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74759	0.9
71.04987	3.4
71.08602	0.9
73.02911	2.2
77.03924	2.5
79.05488	59.1
80.62486	0.9
81.03415	4.6
81.07053	100.0
83.04970	7.4
83.08614	13.6
83.17545	1.0
85.02904	6.7
85.06558	5.3
91.03969	5.1
91.05477	65.2
93.07043	57.1
95.04969	18.6
95.08601	41.6
97.02873	4.2
97.06530	11.0
97.10168	4.1
99.08095	2.7
103.05433	2.4
105.04493	4.0
105.07026	72.6
107.04935	8.5
107.08588	34.5
109.06513	18.9
109.10152	14.4
111.08067	4.6
113.09704	0.8
115.05465	2.5
117.07021	23.2
119.08577	55.6
121.06499	5.0
121.10143	28.6
123.08062	9.5
123.11699	10.4
125.09610	2.7
127.03905	2.4
127.07523	1.6
128.06195	3.4
129.05461	1.3
129.06990	10.4
130.07782	2.0
131.08562	28.9
133.06470	1.9
133.10124	45.5
134.10522	0.9
135.08047	5.1
135.11684	17.1
137.09598	3.5
137.13237	2.2
139.11189	1.8
141.06964	2.6
142.07742	1.8
143.08556	11.9
145.04927	1.9
145.06448	2.9
145.10120	24.4
147.08009	1.8
147.11678	46.1
149.09604	7.6
149.13261	12.1
151.07527	1.2
151.11166	3.7
155.08542	3.6
157.10149	10.6
159.07985	1.6
159.11684	21.3
161.09628	2.5
161.13249	20.2
163.06010	1.6
163.11192	7.4
163.14792	4.0
165.12743	6.3
167.17691	0.9
169.10085	3.1
171.10313	1.6
171.11667	10.7
173.09514	1.5
173.13242	11.4
175.11179	3.4
175.14835	7.1
177.12721	3.9
179.14308	1.0
183.11652	4.9
185.13301	7.3
187.11229	1.8
187.14816	4.0
189.12787	3.2
189.16420	1.2
191.14282	2.0
191.38174	1.0
193.12196	1.8
195.11642	2.4
195.13750	1.3
197.13271	2.3
198.97412	1.5
199.14833	5.7
201.12697	1.1
201.16347	0.9
203.14314	2.7
207.11815	1.1
207.13858	1.3
209.13298	2.3
211.14836	2.3
213.16325	2.7
215.17937	1.8
217.15807	1.8
219.13838	1.2
221.15402	1.0
225.16435	0.9
231.21085	4.6
233.15373	0.9
239.17960	3.8
241.19508	22.8
243.21063	1.2
247.20538	2.7
248.59885	1.1
257.19012	9.2
259.20584	61.3
261.22134	1.2
267.15811	2.3
271.20462	1.2
272.13135	0.9
273.18494	1.3
275.20078	47.4
276.20346	1.7
277.21573	4.5
289.21341	1.0
293.21088	21.4
303.23199	1.0
313.21732	1.3
315.23117	7.3
331.22757	1.5
333.24216	98.1
334.24399	1.3
335.25681	1.7
344.25760	1.8
349.23761	17.8
350.23914	0.9
351.25256	8.5
365.23413	1.7
367.24799	62.1
501.35861	2.0
513.35400	1.7
515.38397	3.7
517.38678	0.9
527.37128	1.9
533.40027	6.5
539.37787	1.1
545.38013	2.1
551.41046	10.5
555.36273	1.0
589.42725	1.4
607.43573	31.8
625.44580	77.1
626.44531	1.3
643.45636	25.0
733.47015	1.2
751.46112	1.2
769.48712	1.7
787.49353	1.5
834.46918	1.0
1002.59088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	4.6
73.02906	4.9
77.03927	4.3
79.05491	82.1
81.03411	9.0
81.07053	81.0
83.04983	6.8
83.08611	19.1
85.02901	20.5
85.06538	6.1
85.13403	1.6
86.09717	4.7
91.03982	8.5
91.05477	89.2
92.74412	1.7
93.07041	86.9
95.04958	17.3
95.08601	58.5
97.02885	12.8
97.06533	7.8
97.10162	15.6
99.08088	8.1
103.05472	3.5
104.10737	13.7
105.04516	6.7
105.07029	91.4
106.82942	1.7
107.04963	6.7
107.08592	51.5
109.06499	6.8
109.10149	26.8
111.08068	6.3
113.09633	1.9
115.05453	7.4
117.07018	44.7
119.08580	65.6
121.06519	3.9
121.10142	34.2
123.08091	4.2
123.11703	8.0
125.00009	2.3
125.09611	10.1
127.03886	6.1
128.06163	9.4
129.05489	1.9
129.07002	29.9
130.07794	3.1
131.08568	52.8
133.06468	2.5
133.10127	53.9
135.08054	6.6
135.11693	22.7
137.09619	3.7
141.06952	9.5
142.07764	6.1
143.08554	30.2
144.09357	2.1
145.04924	3.6
145.06477	2.1
145.10120	48.2
145.11229	3.7
147.08069	3.6
147.11676	38.8
149.09636	8.1
149.13269	9.3
151.11234	3.0
153.06967	4.1
153.09079	2.8
154.07813	4.8
155.06009	2.0
155.08537	19.2
156.09311	3.6
157.10130	26.5
159.11685	35.6
161.09546	4.0
161.13255	16.6
163.06010	3.6
163.11198	7.8
163.14813	2.1
166.07823	2.9
167.08562	8.3
168.09288	3.6
169.10117	25.8
171.11655	26.2
173.09677	2.9
173.11877	4.0
173.13275	19.1
175.11179	2.7
175.14803	9.7
177.12773	4.4
179.08653	4.1
179.14323	2.9
181.10092	13.2
182.10938	4.4
183.11696	24.7
184.07344	6.4
185.13243	25.2
187.11261	3.0
187.13338	2.8
187.14844	8.3
189.11252	4.4
189.12788	3.1
189.16383	2.6
191.14200	1.9
193.10130	4.7
195.11630	12.2
197.13203	14.2
199.11290	3.3
199.13200	2.8
199.14838	11.3
201.12758	4.1
201.16400	5.3
203.14334	4.0
205.15939	2.2
207.11716	6.6
209.13231	12.9
211.14769	9.6
212.14334	2.9
213.16367	7.5
214.15897	8.0
215.18022	3.6
219.17462	2.9
221.13252	9.0
223.14726	9.5
225.16313	8.5
227.12794	6.1
227.17960	3.5
229.14294	3.0
229.19658	4.1
231.20963	2.2
235.14745	4.9
237.16351	4.9
239.17987	8.0
241.19565	10.9
249.16481	2.1
251.17894	4.5
253.19626	2.9
257.18909	11.2
259.20581	26.2
261.16428	2.7
261.22162	2.3
271.20612	3.0
273.18530	5.0
275.20145	22.0
276.78305	2.0
277.21817	2.8
283.20557	2.6
299.20074	2.7
313.21664	2.4
315.23251	3.8
321.22153	2.6
323.23694	3.0
327.23190	3.3
331.22687	5.2
333.24298	30.3
335.26041	2.7
339.23383	2.4
342.24149	3.6
343.24777	3.0
344.25897	31.9
347.22485	3.6
349.23810	23.3
351.25592	2.6
355.26550	1.9
363.26459	2.8
365.28479	2.6
367.26016	2.5
411.28915	1.7
421.30969	3.0
435.32626	2.5
439.32101	3.0
445.30499	2.6
459.32129	2.5
461.33664	4.8
482.32596	2.3
485.32642	2.5
487.34152	2.9
495.34344	2.6
499.34467	4.6
513.35712	17.9
515.38806	13.3
527.37390	15.2
531.37085	2.8
533.39752	10.2
535.36761	2.3
537.35516	2.9
539.36908	5.0
542.32007	2.3
545.38318	4.2
551.40607	6.1
553.38800	20.0
555.39819	2.9
567.40088	8.5
571.41681	2.1
589.42242	7.3
607.43549	100.0
625.44586	88.8
643.45172	4.5
715.45520	3.3
724.39160	2.1
751.47247	4.4
769.48224	5.8
787.50104	4.4
840.55640	3.9
1002.61304	45.9
1006.20483	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	1002.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	8.0
73.02913	5.6
77.03934	3.7
79.05490	89.7
81.03411	14.2
81.07056	88.3
83.04984	10.8
83.08619	25.4
85.02911	16.0
85.06510	4.0
91.03953	7.9
91.05479	100.0
93.07043	78.5
95.04962	17.9
95.08601	62.5
95.09213	3.2
97.02901	11.3
97.06529	13.7
97.10170	14.9
99.04489	2.6
99.08106	3.5
103.05494	2.6
105.04507	5.4
105.07026	91.7
107.04947	8.1
107.08595	54.9
109.02890	2.7
109.06493	10.4
109.10156	26.1
111.08080	7.2
113.09641	2.2
115.05445	5.7
117.07022	36.1
119.08576	60.5
121.06509	4.9
121.10144	30.3
123.08073	5.8
123.11740	10.1
125.09629	8.6
127.03900	5.9
128.06219	5.9
129.05519	3.0
129.07005	22.8
130.07767	4.1
131.08572	45.9
131.09573	2.3
133.06502	3.1
133.10130	52.9
135.08069	5.8
135.11685	23.9
137.09631	5.0
137.13228	2.7
139.11197	2.5
141.07030	8.8
141.20671	1.8
142.07765	4.3
143.08554	23.3
144.09296	2.9
145.05003	2.3
145.10115	42.6
147.08040	4.7
147.11676	36.2
149.09598	12.1
149.13213	11.9
151.11165	2.2
154.07796	2.7
155.08595	10.3
156.09373	5.6
157.10133	24.5
159.11694	30.4
161.09618	3.7
161.13237	20.3
163.11206	10.4
163.14819	3.0
165.12688	2.8
166.07796	3.5
167.08521	5.6
169.10136	20.1
170.10840	2.0
171.11665	18.3
172.96271	1.8
173.04459	3.5
173.09666	2.2
173.11914	2.5
173.13229	16.6
175.11169	3.4
175.14828	10.1
177.12753	4.3
179.14227	3.4
181.10112	7.4
183.11684	14.0
183.24837	1.8
185.13258	14.1
187.11177	2.1
187.14841	5.6
189.11223	3.2
189.16505	2.2
191.14355	2.9
193.10193	3.4
195.11690	7.4
195.13678	3.1
197.13271	12.8
199.14839	10.1
201.12660	2.4
207.11729	3.4
209.13272	6.6
209.99284	2.4
211.11278	2.1
211.14836	5.9
213.16376	5.7
214.15990	3.6
217.15773	2.1
221.13263	3.7
223.11084	2.5
223.14861	4.5
227.12770	8.2
229.14311	3.8
229.19669	2.4
231.21074	4.6
233.15633	1.8
237.16380	4.2
239.17982	4.7
241.19547	16.7
253.14442	2.5
255.15871	4.2
257.19012	9.6
259.20566	49.0
259.23193	3.7
261.22202	4.5
267.15854	4.2
269.17444	15.8
271.20633	2.3
273.18494	3.1
275.20105	25.2
277.21561	3.3
291.19479	4.0
297.22235	2.1
311.23404	2.3
315.23291	9.1
329.21008	2.1
331.22617	2.2
333.24219	50.0
335.25708	8.4
339.22925	3.0
344.25894	5.7
349.23831	23.3
351.25299	2.3
365.23364	2.6
365.28427	2.2
367.24786	4.2
403.29788	3.5
419.27817	2.5
435.32373	6.6
453.33670	5.2
463.31717	2.2
473.33301	3.0
495.34378	2.5
497.36615	2.9
509.36456	4.2
513.35858	35.4
515.38245	8.7
525.35730	4.2
527.37354	49.9
531.36499	3.7
533.39532	7.9
543.36823	2.6
545.38702	8.9
551.40808	2.3
555.36572	2.8
567.39868	2.6
589.42096	3.0
597.44617	4.7
607.43573	66.5
625.44586	80.3
635.39343	3.2
643.45227	4.9
653.39923	2.6
671.41772	4.0
689.42047	6.5
720.38147	2.1
733.46783	2.2
751.47986	3.4
769.48236	5.1
787.49127	4.7
894.42871	2.1
1002.61566	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	1007.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02217	0.1
71.01357	0.3
71.05000	0.4
73.02917	2.4
79.05488	1.6
81.03425	1.3
81.07054	2.5
83.04987	0.2
83.08626	0.4
84.01882	0.1
85.02904	4.4
85.03415	0.2
87.04485	0.2
87.52962	0.1
91.03951	2.4
91.05473	2.0
93.07035	2.0
95.01107	0.3
95.04967	0.6
95.08605	1.4
97.02892	4.1
97.06552	0.3
97.51012	0.1
98.22637	0.3
99.04478	0.5
101.02380	1.2
103.03956	0.3
105.04575	0.2
105.07021	1.8
107.04931	0.2
107.08585	1.1
107.09135	0.1
108.97926	0.1
109.02273	0.1
109.02874	0.7
109.06554	0.4
109.10157	0.3
111.08078	0.2
113.27473	0.1
115.03955	0.4
117.07060	0.5
119.08578	1.1
121.06507	0.2
121.10158	0.6
123.08060	0.3
123.11733	0.3
125.02194	0.1
127.03909	0.9
129.05542	0.2
129.07031	0.3
131.08565	0.7
133.10132	0.9
135.08054	0.2
135.11729	0.5
143.08566	0.2
145.05022	0.2
145.10204	0.4
147.11719	0.8
149.13293	0.2
156.03951	0.2
157.04810	0.2
157.10185	0.3
159.11739	0.4
161.13309	0.2
169.04817	0.1
173.13304	0.2
177.12843	0.1
185.04193	0.9
201.03680	0.8
202.25777	0.1
203.05234	1.2
217.51799	0.2
241.06841	0.2
243.08417	1.3
245.06467	0.3
256.81732	0.1
257.06461	0.3
259.08133	0.5
259.20599	0.2
269.14587	0.1
275.07434	0.3
275.20160	0.2
277.21500	0.1
301.09015	0.6
305.08673	0.4
313.09045	0.3
315.10632	0.3
319.09952	0.6
329.08539	0.8
331.10089	0.2
333.20279	1.7
341.12253	0.2
347.09479	5.5
363.08911	2.5
365.10535	1.4
373.23709	0.4
389.22974	0.3
403.12225	0.4
405.13669	9.3
406.14261	0.2
421.13196	0.3
423.20068	0.3
425.21368	0.2
431.24106	0.3
453.20837	0.2
463.14188	1.2
465.21259	0.4
475.14319	0.8
477.15997	0.8
481.20749	0.3
489.16000	0.4
503.17465	0.5
517.19092	0.5
517.27545	0.2
519.20813	0.2
520.95251	0.1
531.20801	0.4
533.21777	0.3
535.16382	0.4
535.20239	0.2
535.28754	3.1
545.22168	0.4
547.23474	0.3
549.17834	0.1
551.28143	2.7
559.23645	0.8
585.25165	1.1
587.26959	0.4
591.22974	0.2
599.27094	0.3
601.25763	0.2
603.21722	0.1
607.31787	0.2
623.30518	0.3
627.26178	0.9
643.26056	0.5
645.27484	0.5
651.33917	0.2
659.28882	0.2
693.48804	0.1
697.33948	5.8
713.33521	5.4
714.34503	0.2
715.32654	0.2
717.41962	0.2
729.32581	0.2
729.74957	0.1
741.02234	0.1
769.36847	0.3
775.42535	0.3
785.36145	1.1
811.41022	0.2
813.39539	0.4
827.40747	0.3
836.06873	0.2
841.41443	0.2
845.50073	0.7
855.44226	0.2
869.44543	0.4
879.46869	0.4
895.46576	0.2
909.48431	0.3
937.47089	0.3
940.82953	0.1
1007.55371	100.0
1008.55359	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	1007.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92593	0.3
71.01379	0.3
71.04987	0.5
73.02916	1.9
79.05485	2.0
81.03432	0.8
81.07051	1.3
83.08624	0.4
85.02905	3.3
86.09707	0.7
90.30346	0.2
91.03957	2.0
91.05495	2.0
92.20372	0.3
93.07043	1.6
95.04986	0.7
95.08634	1.1
97.02888	3.3
99.04498	0.8
101.02406	1.1
103.03938	0.3
104.10741	4.0
105.07071	1.1
107.08627	1.2
109.02872	0.5
109.10201	0.5
117.07072	0.5
119.08614	1.0
121.10159	0.6
125.00085	0.3
127.03950	1.0
129.05597	0.3
129.06998	0.3
131.08617	0.6
133.10168	0.5
135.11732	0.4
145.10152	0.4
147.11755	0.8
164.97803	0.3
184.07417	1.1
185.04274	0.7
200.89258	0.3
201.03720	0.5
203.05397	1.0
238.58746	0.3
243.08492	0.6
259.07962	0.3
275.07675	0.3
301.08948	0.5
305.08606	0.4
315.10419	0.3
319.09964	0.3
329.08603	0.4
333.20523	1.2
335.13992	0.4
347.09457	5.0
347.13171	0.4
363.08868	2.4
365.10382	1.4
389.23166	0.3
403.12100	0.4
405.13681	8.7
463.14517	1.2
465.20944	1.3
475.14059	0.4
477.15912	0.8
517.18951	0.4
520.34229	1.1
535.28906	2.3
547.23834	0.5
551.28351	2.1
559.23694	0.5
599.26178	0.4
627.26306	2.4
657.27692	0.5
697.33984	5.5
713.33710	5.7
785.35864	1.2
845.49963	0.5
869.44373	0.3
921.48633	0.8
1007.55420	100.0
1008.54919	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	1007.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.4
71.05003	0.3
73.02914	2.2
79.05489	2.1
81.03415	1.0
81.07060	1.6
83.04993	0.3
83.08629	0.3
85.02901	3.3
91.03954	2.1
91.05472	2.1
93.07034	2.2
95.04987	0.5
95.08605	1.0
97.02892	3.6
97.03477	0.2
97.06551	0.2
97.10174	0.2
99.04469	0.5
101.02389	1.1
103.03968	0.3
105.07030	1.3
107.08569	0.9
109.02900	0.6
109.06617	0.2
109.10175	0.5
115.03965	0.4
117.07022	0.4
117.22701	0.2
119.08598	0.9
121.10191	0.7
125.09685	0.2
127.03909	1.2
129.05539	0.2
129.06978	0.3
131.08612	0.4
133.10132	0.9
135.11734	0.6
143.08615	0.3
145.05008	0.2
145.10152	0.6
147.11720	0.5
149.13339	0.2
157.10127	0.1
159.11778	0.4
173.13359	0.2
185.04230	0.8
189.91763	0.2
201.03793	0.7
203.05208	0.9
243.08473	1.5
245.06546	0.2
257.06436	0.3
259.07968	0.3
259.20657	0.3
287.07413	0.2
301.08881	0.8
305.08542	0.3
313.08994	0.2
315.10669	0.3
317.20920	0.2
319.10129	0.3
329.08615	0.4
333.20337	1.4
347.09479	4.2
363.09039	1.9
365.10498	1.3
373.23495	0.4
389.23294	0.3
403.11884	0.2
405.13684	7.5
439.19714	0.5
445.25616	0.2
453.21426	0.3
463.14273	1.3
465.21219	0.5
475.14600	0.6
477.16162	0.7
481.20609	0.2
489.16177	0.3
503.17599	0.3
517.19305	0.4
531.20941	0.2
535.16443	0.4
535.28705	3.3
545.22375	0.4
547.23627	0.3
551.28302	2.3
559.23816	0.6
591.22760	0.4
599.27478	0.4
601.25128	0.4
605.24396	0.2
615.26447	0.4
627.25836	0.7
631.25604	0.2
648.44104	0.3
679.35144	0.2
681.34863	0.2
697.34003	5.3
703.28473	0.2
713.33569	3.9
729.33093	0.3
785.35669	1.1
799.37103	0.2
813.38898	0.2
827.40198	0.3
845.50128	0.6
869.44440	0.3
871.55078	0.2
909.47363	0.4
1007.55408	100.0
1008.55658	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54744	1.2
55.05512	2.2
60.04520	4.7
68.78381	1.4
69.90337	4.3
72.35993	1.4
74.06075	1.7
82.99845	2.4
83.01499	2.7
89.52706	1.4
98.00793	1.6
100.02471	1.6
101.00881	27.5
101.02569	7.8
101.07927	1.9
102.02233	2.7
102.05550	3.1
102.09181	1.3
113.67298	1.3
118.03573	1.4
119.01923	100.0
119.03663	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
56.05035	4.4
56.96567	9.3
57.02751	0.8
58.96161	3.0
59.05005	1.5
60.04524	3.6
60.49007	0.8
60.95857	2.4
67.51059	3.6
69.68437	2.8
71.90684	0.8
74.06056	1.2
79.01836	1.6
81.24030	0.8
82.99857	1.9
83.01533	1.8
83.04980	1.0
84.04504	1.5
85.02930	1.5
85.22715	0.8
89.00248	2.2
98.22693	1.3
100.97188	1.3
101.00887	27.1
101.02578	5.1
101.06006	1.2
101.07246	0.7
101.07946	1.7
102.00966	1.0
102.02259	2.4
102.05547	2.9
102.09178	1.8
102.10350	1.5
117.96011	1.1
119.01923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.05501	5.0
56.05033	3.4
56.96562	7.3
58.96168	2.5
60.04508	1.9
60.95861	2.2
62.59315	1.1
67.51078	1.7
71.84220	1.1
74.06066	2.5
79.01848	2.9
82.99837	3.4
83.01516	1.6
83.04948	2.8
84.04478	1.6
85.02904	2.4
86.47371	1.4
89.00257	2.2
97.90661	1.3
98.00822	1.4
100.97199	1.8
101.00871	30.9
101.02519	3.9
101.06032	1.3
101.07941	3.3
102.00987	1.3
102.02248	2.0
102.05520	1.7
102.09174	2.7
102.12797	1.1
117.95931	1.6
119.01916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
77.66260	0.3
81.03401	0.4
85.02924	2.0
97.02877	0.6
110.07076	0.3
127.03897	0.3
164.76654	0.4
169.07558	0.5
170.06107	0.3
181.07494	0.4
183.09166	0.7
184.09903	1.0
185.07115	2.1
193.07629	0.6
194.08229	0.5
195.09166	2.0
196.09892	0.4
197.07074	0.8
197.10724	1.2
198.11523	1.3
199.08623	2.6
206.08344	0.3
207.09180	1.0
208.09848	0.7
209.07048	0.7
209.10715	0.9
210.09326	0.7
211.08600	3.5
211.12306	0.7
212.09392	20.1
213.10211	9.4
213.13731	0.8
217.13411	0.4
219.09062	0.5
221.07094	2.1
221.10730	0.5
222.07639	0.7
223.05078	0.4
223.08788	3.7
223.12286	6.5
224.09425	1.0
225.06683	5.4
225.10194	11.3
226.10980	4.4
227.08206	2.1
227.11757	6.1
228.12569	0.9
235.08597	2.1
236.05931	0.3
236.09351	0.6
237.06570	2.6
237.10231	4.2
238.08601	1.2
238.11067	0.7
239.08142	2.4
239.11774	5.9
240.12566	23.6
241.09492	2.3
241.13345	93.4
242.11647	0.3
242.13779	0.8
245.07034	0.4
247.08685	1.4
248.07130	0.4
249.06575	1.2
249.10278	1.1
250.07404	1.2
251.04538	0.8
251.08157	6.2
252.08664	0.6
253.06151	0.9
253.09706	1.7
253.13412	0.7
254.10576	0.5
255.07677	4.6
255.11247	1.4
259.14371	4.7
263.08179	5.4
264.05542	0.5
265.06143	2.8
265.09717	13.4
266.07950	1.0
267.03696	0.4
267.04602	0.4
267.07687	5.6
267.11282	11.7
267.85623	0.4
269.05569	5.5
269.09213	2.6
269.12836	1.5
271.06958	0.4
271.10803	1.0
273.08743	0.7
275.08038	0.5
277.06146	2.5
278.06927	0.8
279.15005	0.5
281.05627	2.2
281.09204	5.6
282.07346	0.4
283.07196	3.0
283.10767	14.5
283.14105	0.7
284.09052	0.4
284.11612	3.6
285.08673	1.5
285.12299	1.4
291.07605	5.9
293.09189	14.2
295.07153	5.2
295.10779	3.2
299.06650	1.3
299.10208	0.9
299.13593	0.4
301.11713	0.5
309.08661	15.9
310.09592	0.9
311.10239	21.1
313.08344	1.5
319.07092	3.3
321.08630	0.9
327.09741	11.8
328.10416	1.6
329.11252	2.1
337.08173	15.0
339.09671	1.1
341.11157	0.4
343.12787	1.5
345.10776	3.4
347.13898	0.7
355.09229	21.7
357.10849	0.3
365.07639	0.8
371.12268	2.7
372.16443	0.4
373.10452	1.4
383.08820	1.0
387.11780	0.4
401.09677	2.7
403.18759	0.9
407.87796	0.3
415.11331	0.5
421.19565	0.7
449.16086	0.5
476.18433	1.0
489.15259	0.6
503.18564	0.3
504.18051	1.0
517.14880	0.5
517.22412	0.4
519.16406	0.3
531.20392	0.5
535.16364	0.4
535.23529	0.8
537.17365	0.5
549.21234	0.7
553.24536	0.6
559.19751	0.8
561.21313	2.9
577.20667	1.0
579.22394	4.8
587.18115	2.2
587.27246	0.4
597.23810	0.5
605.20325	5.2
610.20691	0.7
611.25098	2.8
613.22852	0.6
623.21368	16.9
629.25977	11.4
631.24615	0.6
641.22394	15.6
642.23315	0.5
655.23932	35.4
656.23993	0.5
657.25330	2.2
673.24994	100.0
674.25513	1.4
749.24615	0.5
767.25775	0.6
785.26221	0.9
791.31519	3.4
799.28204	0.9
803.27307	0.3
817.29144	3.1
835.30298	6.1
1015.52325	0.6
1033.90662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05008	0.3
73.02912	1.5
73.29030	0.2
79.05479	1.7
81.03434	0.9
81.07052	2.9
83.04963	0.3
83.08643	0.6
84.01893	0.2
85.02900	2.7
85.03345	0.2
87.04477	0.2
87.18986	0.2
90.17484	0.2
91.03954	1.7
91.05486	0.9
93.07042	1.0
95.05001	0.4
95.08591	1.1
97.02905	2.9
97.06557	0.3
99.04461	0.4
101.02398	0.9
104.10809	0.2
105.07032	1.1
106.44328	0.2
107.05096	0.2
107.08605	0.6
109.02898	0.4
109.06540	0.5
109.10191	0.3
112.07635	0.3
113.06040	0.3
113.07473	0.2
115.03998	0.2
117.07071	0.3
119.08620	0.6
121.10192	0.7
123.08127	0.3
123.11735	0.3
127.03959	0.9
131.08583	0.4
133.10175	0.4
142.28539	0.2
145.05058	0.3
145.10161	0.5
147.11652	0.9
149.09686	0.2
149.13246	0.3
159.11775	0.2
161.13315	0.2
173.13370	0.2
175.07796	0.2
185.04292	0.7
201.03784	0.4
203.05388	0.7
243.08366	1.5
259.07938	0.3
275.20230	0.5
301.09058	0.3
303.19659	0.2
305.08771	0.3
313.08771	0.2
315.10587	0.3
329.08545	0.4
330.67737	0.2
331.10297	0.3
333.20392	2.3
347.09546	4.3
363.08957	1.7
365.10617	1.5
367.10349	0.2
389.23178	0.8
405.13669	7.1
423.20078	0.4
425.21820	0.4
463.14447	0.6
475.14731	0.6
477.15881	0.5
481.20749	0.5
531.20917	0.4
551.28241	5.8
585.25122	1.8
587.27008	0.8
623.30530	0.3
635.37531	0.3
643.26282	0.6
713.33435	11.6
729.34766	0.3
733.42566	0.3
785.35602	0.5
799.36224	0.3
861.49792	0.7
895.46143	1.0
953.47064	0.3
1023.54883	100.0
1024.54614	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	1023.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02927	1.5
79.05493	1.9
81.03412	1.3
81.07056	1.9
83.08632	0.3
85.02898	3.5
89.61568	0.2
91.03944	1.8
91.05466	2.1
93.07039	1.6
95.04977	0.5
95.08630	1.0
97.02896	3.8
97.10189	0.7
98.23517	0.4
99.04466	0.4
101.02399	0.9
105.07036	1.2
107.08617	1.2
109.02913	0.5
109.10166	0.5
115.03938	0.4
117.07064	0.5
119.08597	1.6
121.10165	0.5
125.09679	0.7
127.03944	0.8
129.07002	0.4
131.08641	0.6
133.10193	0.3
136.06248	0.9
143.08546	0.3
145.04964	0.3
145.10197	0.7
147.11784	0.3
159.11728	0.4
160.68677	0.2
185.04305	0.6
201.03729	0.4
203.05318	0.8
223.82863	0.3
243.08502	0.9
245.06226	0.3
259.07907	0.3
266.00745	0.3
286.78140	0.3
305.08365	0.3
319.10141	0.3
329.08527	0.4
333.20340	1.7
347.09451	4.9
363.08801	1.5
365.10556	1.5
389.23022	0.5
405.13635	8.1
463.14487	0.4
465.20834	2.0
547.24475	0.4
551.28406	4.1
606.04791	0.3
615.26013	0.5
624.72656	0.3
625.28497	0.5
627.26129	4.1
643.26239	0.5
681.48743	0.4
713.33466	10.5
843.53833	0.4
861.50153	0.5
937.47595	0.8
1005.56476	0.6
1023.54944	100.0
1024.54333	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
53.83873	0.9
56.96565	3.4
58.06598	7.3
60.04518	1.2
60.08162	20.5
60.95848	3.5
66.95493	1.0
69.03432	3.2
70.93372	1.5
77.03919	4.4
86.06065	4.3
87.04459	7.8
95.04974	23.9
102.04688	3.2
102.96860	2.6
103.05469	100.0
103.09528	2.0
104.05820	2.8
104.10744	55.0
105.04513	11.9
120.97941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.7
51.02377	0.7
53.03945	5.5
56.96556	0.7
58.06604	5.9
60.08162	5.0
70.28460	1.3
77.03938	7.2
86.06068	1.7
87.04467	2.3
95.04966	25.6
102.04700	3.8
102.96860	0.7
103.05467	100.0
104.05791	2.8
104.10755	11.5
105.04514	11.0
108.49885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03948	8.4
58.06590	1.8
60.08165	14.6
60.95862	0.7
62.77266	0.7
69.03423	1.0
70.02618	1.0
70.02962	1.6
72.18169	0.7
77.03928	10.9
81.03448	0.7
86.06083	0.7
87.04475	2.4
88.51283	0.7
90.74593	0.6
95.04965	35.5
102.04699	4.1
103.05466	100.0
103.84563	0.7
104.05795	2.5
104.10742	44.9
105.04509	16.7
116.83112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
52.37143	0.8
52.69134	0.7
53.03945	4.5
56.96561	1.4
58.06596	7.9
59.07383	0.9
60.08161	16.5
60.95852	1.9
64.01410	0.8
69.03416	3.1
71.43883	1.5
77.03915	4.9
78.26353	1.1
79.01864	1.1
86.06065	4.7
86.09692	1.0
87.04477	7.0
95.04971	25.5
102.04672	3.2
102.96854	1.1
103.05468	100.0
103.09506	1.6
104.05789	2.4
104.07161	1.0
104.10745	51.5
105.04514	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27597	0.2
58.06599	4.6
59.07381	0.9
60.08163	35.6
61.08503	0.3
67.74504	0.2
69.03434	0.8
69.70776	0.6
74.01369	0.2
75.42887	0.2
86.06053	1.0
87.04462	2.6
104.10741	100.0
105.10442	0.3
105.11062	2.1
118.43064	0.2
123.15428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53489	0.2
58.06601	3.1
59.07382	0.8
60.08166	36.0
61.01151	0.2
61.08493	0.3
77.04738	0.2
84.37418	0.2
86.06080	0.2
87.04471	0.8
95.97257	0.2
102.78412	0.2
104.10745	100.0
105.10432	0.4
105.11070	2.2
109.81958	0.2
120.77174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	4.2
59.07393	1.0
60.08166	37.8
61.08498	0.2
69.03436	0.9
69.17372	0.8
72.74218	0.2
84.22515	0.2
86.06073	0.7
87.04464	3.2
104.10744	100.0
105.11083	1.7
119.36587	0.2
123.22178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00145	0.1
58.06599	3.9
59.07383	0.9
59.59682	0.1
60.08164	33.6
61.07834	0.1
61.08486	0.4
81.60379	0.0
86.09682	0.1
87.04455	0.1
88.07626	0.1
93.35686	0.1
100.02477	0.1
104.10742	100.0
104.26105	0.1
105.10481	0.1
105.11068	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	1047.5381
Annotation	Solanigroside H
Peak:m/z	Relative Intensity
73.02918	2.7
75.04482	3.6
77.03922	0.6
79.05490	4.1
81.03423	2.6
81.07053	6.1
83.04982	12.7
83.08592	0.4
85.02904	100.0
85.06541	6.1
86.06076	0.5
87.04473	2.9
91.03978	0.3
91.05476	5.4
93.07044	4.5
95.04970	6.1
95.08604	4.5
97.02897	5.8
97.06520	1.0
97.10152	0.7
99.04453	2.9
101.06003	1.0
103.03951	0.8
103.05452	0.5
105.04528	0.3
105.07026	8.2
107.04951	0.5
107.08594	5.9
109.02878	2.3
109.06512	2.5
109.10152	8.2
111.04444	11.2
111.08089	0.6
113.06012	4.6
115.03959	0.4
115.05453	0.9
115.07573	0.4
117.05476	1.5
117.07017	2.0
119.08582	4.4
120.08038	0.3
121.06500	1.0
121.10146	8.8
123.08064	1.0
123.11726	1.4
125.09632	1.3
127.03918	5.5
128.06216	1.0
129.05476	33.3
129.06857	2.2
130.07776	0.3
131.07034	0.7
131.08562	6.9
133.10123	9.4
135.08055	0.5
135.11684	2.0
137.13239	0.3
141.05432	0.3
141.06956	1.2
142.07776	3.7
143.08569	5.0
143.10660	3.3
144.09309	0.5
145.04953	2.8
145.10127	8.1
145.11212	0.6
147.06523	12.4
147.11682	13.0
149.05945	0.5
149.09598	1.1
149.13268	1.6
151.03943	0.3
151.11185	0.6
153.05482	2.1
153.06757	0.4
155.08559	2.0
156.09387	0.3
157.04988	0.7
157.10127	24.3
159.06546	0.7
159.11693	8.7
161.13261	1.8
163.06035	3.3
163.11171	0.6
163.14705	0.3
165.07671	0.5
165.09131	0.9
167.07036	0.4
167.10677	0.7
168.09348	0.4
169.04950	0.4
169.10133	1.6
171.06528	1.9
171.11681	5.4
173.13255	2.9
175.06017	0.4
175.11189	1.8
175.14792	0.4
177.05447	0.3
177.12698	0.4
181.10078	0.4
182.10963	0.6
183.06567	0.4
183.10176	0.5
183.11636	2.6
185.13248	2.5
187.14893	0.7
189.07596	0.7
195.06566	0.6
195.11699	0.8
196.12347	0.3
197.13243	4.1
199.14810	1.6
201.07561	0.8
201.16400	0.4
207.06569	0.3
209.13303	0.8
211.14839	2.7
212.15669	0.3
213.07590	1.2
213.16394	1.7
217.15927	0.3
223.14827	0.8
224.15623	1.1
224.68709	0.3
225.07452	0.4
225.16402	1.5
226.98918	0.3
231.08675	0.8
237.07610	0.8
238.17198	1.0
239.09145	4.8
239.11464	0.3
239.17903	0.3
251.17896	1.4
253.19507	47.0
254.20245	0.8
255.08611	2.1
255.21051	1.6
257.10202	3.0
267.21051	0.3
269.19073	0.6
271.20563	29.1
272.20874	0.4
273.09711	2.9
275.11234	3.8
279.21100	0.4
281.22675	0.4
283.24176	1.3
289.19629	0.3
291.10855	0.8
293.12292	9.1
309.11804	4.3
337.25259	0.4
355.26389	1.5
377.28583	1.2
395.29440	7.8
397.30991	0.4
399.25287	0.8
401.14377	0.3
411.28848	0.7
413.30490	18.5
415.32251	0.3
417.26456	0.3
429.30075	0.3
431.31583	24.1
432.32111	0.3
433.25757	0.7
517.31323	0.3
541.35431	0.4
575.35840	1.7
577.37872	0.4
579.31464	1.7
593.36963	3.4
663.37482	0.8
721.41681	3.9
725.37354	10.0
737.40240	0.3
739.42590	4.5
809.43201	11.6
809.58276	0.6
849.45953	1.1
851.47595	1.1
865.45233	0.3
867.47308	45.8
868.47949	0.9
885.48364	17.3
886.47369	0.4
907.77545	0.3
1029.51038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01596	0.3
50.67065	0.2
51.02371	1.2
53.03949	3.0
55.01889	0.3
59.06944	0.4
60.04522	0.5
60.08162	1.0
61.08500	1.4
61.36298	0.2
69.80899	0.6
69.81238	0.5
77.03925	4.5
79.05493	38.9
80.05827	0.8
81.03391	0.3
88.04822	0.4
95.04970	16.5
98.22807	0.4
103.05466	28.2
104.05791	0.6
105.04533	8.5
105.07028	100.0
105.11065	6.5
106.06611	0.6
106.07363	3.3
123.75802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1056.636
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	2.7
81.06570	0.7
81.07054	13.0
81.07511	1.1
83.08633	3.3
86.09705	24.1
86.61701	0.6
91.05490	2.1
93.07055	4.7
95.04932	1.0
95.08605	9.8
95.71080	0.5
97.10176	1.6
101.26627	0.7
104.10742	7.8
105.07032	2.0
107.08585	2.1
109.10171	3.7
111.08027	0.7
112.68542	0.6
113.06000	1.0
119.08577	2.2
120.18115	0.6
121.10157	2.0
123.11762	1.5
124.99982	0.7
133.10147	1.6
135.11685	1.4
146.98181	40.8
147.11752	1.0
149.13251	0.9
161.13284	1.2
163.14832	0.6
184.07312	1.3
188.00841	0.6
240.10104	0.8
245.22968	0.8
252.99516	0.7
257.71063	0.7
301.20181	1.2
337.27377	14.7
344.72119	0.7
359.25540	1.4
378.39908	0.7
483.24796	29.3
538.30835	1.3
539.31268	3.3
540.31122	2.2
541.31555	0.9
541.80719	0.7
542.32178	100.0
543.32013	1.4
620.15741	0.7
700.57306	0.7
703.34503	0.7
798.97888	1.0
799.47339	1.6
1056.41602	3.4
1056.61511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1056.6367
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05502	1.2
81.07059	4.5
83.08622	1.2
86.09705	17.8
91.05463	0.8
93.07050	1.1
95.08611	3.5
98.22691	1.0
104.10743	100.0
105.11065	0.7
107.08628	0.7
109.10177	1.7
123.11694	0.9
130.23378	0.5
146.98183	19.4
176.99242	0.7
197.71155	0.6
230.63196	0.6
337.27380	5.6
349.65530	0.6
439.22156	1.5
483.24829	38.3
542.32178	89.1
543.32739	1.6
831.70703	0.7
884.51880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.668
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07057	1.3
83.08654	1.1
86.09708	17.3
93.07063	0.7
95.08617	1.5
97.10162	1.5
104.10748	91.9
107.08622	0.5
109.10153	1.0
121.10129	1.6
133.43568	0.6
135.11679	1.0
137.49419	0.6
146.98193	18.1
164.99086	0.6
176.99283	0.9
188.00853	0.6
194.15218	0.5
243.95689	0.6
261.60684	0.6
289.22000	0.6
339.29004	10.1
441.23874	1.7
485.26410	39.2
544.33752	100.0
545.34265	1.1
968.39337	0.7
1061.25391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02374	0.8
53.03945	4.0
55.01878	1.0
62.96100	0.6
64.95568	0.7
69.98602	1.7
77.03924	3.8
79.05492	100.0
80.05016	5.6
80.05822	2.3
81.03413	0.6
91.05485	3.5
95.04967	17.1
96.04500	1.2
98.22781	0.9
98.37306	0.5
105.04516	7.7
105.07050	1.2
107.04952	73.5
107.08582	2.4
108.04475	7.8
108.05258	1.8
108.08121	2.2
109.06519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.73174	0.4
53.03943	0.7
62.68412	0.5
65.03947	8.8
67.05511	2.1
71.47794	0.6
77.03945	0.7
79.05499	19.8
80.05032	1.1
91.05482	100.0
92.05763	2.7
92.06306	2.4
95.04952	2.8
105.04548	1.1
105.07034	32.7
106.07384	1.2
107.04958	10.2
107.08595	59.8
108.04505	1.2
108.08185	1.0
108.08929	2.0
109.06521	20.4
110.06809	0.6
119.06068	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03954	2.9
55.05507	7.9
61.79753	0.9
64.05396	1.0
65.03927	4.4
67.05504	100.0
68.05018	1.4
68.05845	1.5
69.07063	4.3
71.05169	1.6
79.05495	7.8
80.06258	1.4
81.03416	3.3
81.07057	26.6
82.06594	5.8
91.05524	1.1
107.08604	3.2
109.01974	1.1
109.02849	1.8
109.06528	6.1
109.07645	18.5
109.08385	1.7
109.10155	50.7
110.06042	31.8
110.10511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	4.5
55.05511	9.4
65.03937	2.3
65.56046	0.8
67.05505	100.0
68.05845	2.3
69.07066	5.5
71.08485	0.6
71.44630	0.8
79.05484	8.8
80.06273	1.2
81.03429	4.4
81.07056	33.1
82.06575	1.7
82.07406	1.4
91.05490	0.9
94.04201	1.3
107.08590	3.5
109.02885	2.0
109.06523	5.3
109.07647	8.5
109.08436	1.5
109.10157	55.7
110.05344	1.2
110.06045	13.3
110.10492	1.6
116.67411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
68.05038	0.2
70.06590	100.0
71.06908	1.3
74.02443	0.8
80.70277	0.1
94.73038	0.1
98.06001	0.2
116.07089	14.2
116.10732	0.5
117.07448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01594	1.3
51.02382	2.9
53.03952	20.4
55.05495	1.6
58.06605	7.2
59.07385	5.3
63.69471	0.9
65.03926	0.9
69.77657	2.9
72.08160	19.8
73.02930	1.6
77.03937	14.6
79.05484	1.9
81.03412	2.3
89.26339	1.0
91.05485	26.1
93.07058	1.1
95.04971	91.9
96.05291	1.4
103.05478	3.7
104.06264	2.6
105.04519	44.6
106.04859	1.0
117.07023	12.9
118.06549	100.0
118.08640	20.2
119.06088	2.0
119.06883	2.8
119.08583	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03944	17.2
55.05518	18.9
56.18755	2.9
58.06602	21.5
59.07381	15.0
61.20502	3.0
61.89313	4.0
64.60484	2.8
72.08153	100.0
73.02920	6.1
77.03925	14.0
82.11305	2.9
91.05479	28.8
95.04963	80.1
105.04512	34.3
118.06539	83.1
118.07278	4.3
118.08645	82.8
119.06071	8.4
119.08553	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03952	0.4
55.05513	16.6
56.05031	0.4
56.05840	0.6
57.05817	1.0
58.06594	1.8
59.05000	1.0
59.07384	1.9
60.08158	0.4
64.10931	0.2
64.54324	0.2
70.06596	0.3
70.80335	0.3
72.08155	100.0
73.08479	1.5
99.84763	0.2
118.08651	8.7
118.12278	1.4
139.78204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05514	17.1
56.05838	0.3
57.05819	1.1
58.06600	8.1
59.05006	0.6
59.07384	9.3
59.53613	0.3
70.57128	0.3
70.57455	0.3
72.08157	100.0
73.07861	0.3
73.08502	2.0
82.86468	0.3
91.05458	0.5
100.91933	0.2
101.06024	0.6
118.08656	39.1
119.09014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29630	2.2
69.70612	8.1
82.99837	3.0
101.00883	29.7
112.73015	2.4
113.86074	2.1
113.89167	2.9
119.01926	100.0
119.06048	2.9
120.02029	6.8
136.12453	2.3
137.02945	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	4.6
61.50650	2.7
65.03945	4.8
72.08136	3.0
73.08498	14.3
74.06071	11.5
75.59686	2.6
84.87479	2.6
91.05482	57.5
101.00878	18.5
102.05501	3.5
103.05476	9.9
119.01929	100.0
119.04940	4.6
119.06072	21.4
119.08612	10.8
120.02069	7.9
120.04485	4.6
120.05596	16.4
120.08111	14.6
137.02965	39.7
137.03932	2.9
139.01944	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78235	1.5
59.98324	1.3
65.03934	3.3
66.53805	1.3
68.95286	3.3
70.15617	3.1
70.15947	1.7
70.81632	1.5
71.02937	1.4
78.95269	1.6
82.99822	2.0
87.17271	1.4
91.05476	27.3
92.97290	1.6
101.00880	25.7
102.00938	2.3
119.01922	100.0
119.04937	5.3
119.06056	1.9
120.01993	8.6
120.05592	4.1
120.08135	4.2
137.02957	29.6
139.75862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	17.3
66.81313	0.4
70.47325	1.0
91.05482	100.0
92.05799	2.6
95.04979	0.7
98.22691	0.4
103.05475	1.4
109.06526	0.4
117.07021	1.7
119.04944	48.3
119.08576	5.4
120.05450	1.8
120.08099	1.6
129.04506	0.6
132.36299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.85806	0.6
58.11917	0.6
60.53150	0.6
65.03944	13.8
66.92551	0.6
69.44112	3.3
82.71204	0.6
90.00318	0.6
91.05482	100.0
92.05816	2.6
103.05466	1.4
117.06988	0.9
119.04945	49.4
119.08538	4.2
120.05307	1.5
120.08086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64063	0.4
53.03943	1.3
53.91730	0.5
60.04536	1.1
70.14524	1.3
74.06094	0.8
77.03918	1.2
79.05481	1.4
91.05494	5.0
92.05795	0.6
93.07048	13.4
95.04992	2.7
98.22754	1.0
102.04655	0.6
103.05471	55.9
104.05789	1.8
105.04506	1.1
105.07042	1.0
118.06521	1.3
120.05602	2.7
120.08108	100.0
121.04025	1.1
121.06528	1.6
121.08438	4.4
121.10202	0.7
127.30656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
53.81628	0.5
56.05023	1.1
60.04508	1.3
63.55810	0.5
65.03937	0.6
74.06072	1.5
77.03927	1.2
79.05495	0.9
80.05011	0.5
91.05474	9.6
93.04519	1.1
93.07043	14.2
94.06584	0.6
94.07343	0.6
95.04967	4.3
102.04688	1.1
102.09174	1.0
103.05464	52.1
104.05791	1.8
105.04500	1.9
105.07024	0.6
116.16814	0.5
118.06525	1.8
119.07313	1.3
120.05637	5.9
120.08100	100.0
121.03999	1.8
121.06512	5.4
121.08420	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02383	1.9
53.03951	11.8
55.01867	2.3
62.67657	0.7
65.03941	1.3
68.00121	0.6
70.12069	0.8
70.12405	1.6
77.03931	14.1
78.04708	0.9
79.05506	2.5
81.03428	2.2
91.05482	81.7
92.05826	2.1
93.07044	100.0
94.07392	3.6
95.04968	47.8
98.22645	0.8
101.63551	0.7
103.05472	22.7
104.05806	2.8
105.04515	23.4
105.05183	1.4
105.06461	0.8
105.07006	4.3
106.04864	0.9
106.83275	0.7
107.07352	2.8
116.57184	0.6
121.06509	48.4
121.08425	3.1
121.10156	2.2
122.06021	1.2
122.06856	2.0
122.09664	6.0
133.07813	0.7
136.14386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	0.9
53.03949	4.3
55.05516	8.6
67.05509	2.4
69.97586	0.8
69.97913	0.9
73.37434	0.5
77.03927	5.3
79.05496	46.9
80.05824	1.1
80.06244	0.9
81.07065	3.7
91.05483	39.7
92.05804	0.9
93.07047	100.0
94.07384	3.1
95.04973	18.9
96.71856	0.4
103.05469	9.0
105.04526	7.0
105.07031	42.0
106.07884	4.2
119.08584	7.6
120.08936	0.7
121.03994	0.9
121.10146	40.0
122.05997	0.5
122.09662	0.7
122.10480	1.1
123.08070	4.2
133.07608	3.3
135.40440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03937	7.4
54.43967	2.1
55.05492	8.3
57.06682	1.8
71.44752	2.7
77.03936	3.3
79.05498	46.7
80.05025	2.1
81.07041	2.7
91.05482	32.0
93.04533	14.4
93.07043	100.0
94.07398	3.2
95.04967	22.0
103.05473	14.7
105.04534	14.2
105.07032	66.1
105.07732	3.3
106.06525	2.6
106.07829	5.8
107.07348	5.0
109.61287	2.4
119.08564	7.4
120.72101	2.2
121.03995	23.3
121.06528	13.5
121.07650	7.4
121.10138	54.3
122.06048	8.0
122.09666	14.8
123.08058	6.1
133.07597	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
58.99854	1.5
68.23595	1.2
69.75475	3.8
70.25159	1.3
80.05024	2.2
82.01445	26.2
82.99826	2.2
86.13493	1.2
100.02482	96.5
101.00882	25.6
101.02581	2.3
116.71273	1.2
118.01121	1.1
118.03519	40.8
119.01917	100.0
122.92423	1.6
123.05505	8.1
124.03950	1.6
131.01953	1.3
136.04533	2.3
137.02956	30.9
141.05156	1.7
142.03519	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25520	3.5
53.98592	3.2
54.47606	2.9
71.37392	3.3
73.06178	4.2
82.01440	30.8
83.21902	3.1
100.02486	100.0
101.00878	32.9
108.01742	3.6
109.54691	3.0
118.03524	36.4
119.01925	89.5
137.02975	20.8
142.03554	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25520	3.5
53.98592	3.2
54.47606	2.9
71.37392	3.3
73.06178	4.2
82.01440	30.8
83.21902	3.1
100.02486	100.0
101.00878	32.9
108.01742	3.6
109.54691	3.0
118.03524	36.4
119.01925	89.5
137.02975	20.8
142.03554	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	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
50.42511	0.2
50.85392	0.2
53.03960	0.6
68.05023	0.2
70.90102	0.3
78.03460	2.3
79.04211	0.2
80.05019	29.3
81.05341	0.4
82.01440	1.2
82.99841	0.8
95.06071	0.3
96.04496	8.1
100.02485	3.6
101.00880	7.9
101.01545	0.4
105.04474	0.2
106.02901	2.0
118.03555	1.0
119.01923	25.3
123.05553	100.0
124.03951	2.9
124.04842	0.2
124.05170	0.2
124.05910	2.2
127.00733	0.2
137.02957	5.7
142.03487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03950	1.1
55.05510	3.5
56.79065	0.4
57.07081	6.8
65.03947	0.9
66.59521	0.4
67.05505	14.3
68.05033	0.5
68.05838	0.5
69.07068	2.9
71.44331	0.4
78.03481	0.6
79.05496	12.5
80.05024	14.0
81.07059	100.0
81.57932	0.5
82.06570	0.7
82.07387	3.3
85.03259	0.4
93.07047	1.9
94.07836	0.9
95.04964	1.6
95.06070	0.5
95.08611	16.6
96.04494	6.9
96.08935	0.8
97.94167	0.5
100.02477	1.4
101.00880	2.2
105.04547	0.6
105.07037	0.9
106.02905	0.8
106.06596	0.7
106.07333	0.9
108.05746	0.5
108.07673	1.4
108.09383	1.1
111.63926	0.5
112.03967	3.7
118.03522	0.7
119.01929	12.9
121.10144	1.8
123.04533	1.4
123.05558	44.6
123.08057	6.5
123.09173	1.9
123.10076	2.9
123.11710	35.0
124.03951	17.6
124.05898	1.2
124.07603	2.6
124.08425	0.5
124.11235	0.6
124.12058	1.7
137.02965	3.9
140.03430	1.5
142.03503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87261	0.3
53.03949	0.6
55.01865	0.5
55.58076	0.2
56.44036	0.3
57.03426	0.5
58.99862	0.9
61.02907	0.3
68.05024	0.7
69.03423	0.9
70.65493	0.6
70.99851	1.0
77.00920	1.3
78.03466	1.5
79.05463	0.3
80.04549	0.5
80.05018	9.1
81.04555	0.4
81.05359	1.6
82.06578	0.6
82.99831	1.6
83.01522	0.8
84.01187	0.6
89.00912	0.6
89.02575	0.3
94.01781	0.3
95.01926	0.3
95.06096	0.3
96.04496	13.3
96.08136	0.5
97.02904	0.9
97.04829	0.7
100.02472	2.1
100.09766	0.3
101.00878	20.7
101.02550	3.6
102.00984	0.8
102.02222	2.1
103.00644	0.6
103.02293	0.6
107.06057	0.7
109.02905	0.3
109.05235	0.3
110.04786	0.6
112.03972	3.8
118.03523	1.2
119.01920	100.0
119.03638	2.8
120.01994	3.8
120.03223	1.2
121.01660	1.1
124.03952	70.4
124.05872	5.9
124.07564	3.2
124.08619	0.6
125.02425	0.3
125.04338	1.4
125.07074	1.4
133.01643	0.5
133.03496	0.5
137.02959	37.8
138.03035	1.6
139.94862	0.3
140.03444	2.3
142.03503	7.3
143.03622	0.4
144.03294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34975	0.3
55.40908	0.2
63.08702	0.2
67.98907	0.2
69.90726	0.3
69.91028	0.3
82.01434	0.4
82.99840	3.6
83.01502	0.4
83.96425	0.2
83.99940	0.3
98.22772	0.4
100.02471	0.9
101.00879	40.5
101.02530	1.4
102.00946	1.2
102.02218	0.4
119.01917	100.0
120.01985	3.8
120.22594	0.3
121.02390	0.3
122.67832	0.2
124.02457	0.8
124.03982	0.3
137.02953	19.6
138.03027	0.8
142.03506	6.3
142.04549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99872	0.4
66.35113	0.2
69.61415	0.7
69.61840	0.3
70.99844	0.2
80.05018	0.6
81.05354	0.2
82.01451	0.6
82.99835	3.4
83.01545	0.7
85.62407	0.2
96.04491	0.7
98.23415	0.3
99.93399	0.2
100.02504	1.1
101.00883	35.1
101.02556	2.1
102.00945	1.2
102.02238	0.8
112.03937	0.4
118.03553	0.4
119.01920	100.0
120.01993	4.3
120.03233	0.3
121.02375	0.2
124.02465	0.6
124.03955	4.6
124.05872	0.2
124.07572	0.6
124.08681	0.2
137.02959	21.7
138.03061	0.9
139.03285	0.2
140.03430	0.2
142.03499	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59131	0.2
56.36277	0.2
56.96560	0.2
58.11416	0.2
70.43342	0.3
80.05029	0.4
81.05373	0.2
82.01444	0.5
82.99837	3.2
83.01506	0.5
91.30299	0.2
94.09108	0.2
96.04512	0.5
98.98629	0.2
100.02505	1.3
100.78198	0.2
101.00883	37.7
101.02579	1.6
102.00951	1.3
102.02229	0.7
111.00424	0.3
112.03988	0.3
118.03510	0.2
119.01921	100.0
120.01991	3.6
121.02361	0.4
124.02467	0.7
124.03955	2.7
124.05941	0.9
124.07597	0.5
137.02960	21.7
138.03011	0.9
140.03502	0.3
142.03508	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00301	3.4
53.03709	1.5
53.03948	28.7
55.01867	11.1
55.34338	1.1
57.03419	3.9
57.97641	1.3
58.06594	1.4
65.03918	1.6
69.03429	72.2
70.52238	2.7
71.04997	7.4
74.98836	1.3
81.03415	71.1
82.03756	1.4
82.06560	4.9
83.01330	1.9
84.08142	5.8
84.08589	1.3
85.02888	3.5
97.02895	8.0
98.03642	2.1
99.04459	11.4
100.07633	2.7
109.02875	100.0
110.03234	3.1
116.69182	1.5
120.38922	1.2
122.02005	1.3
127.03012	2.5
127.03910	27.8
127.04890	2.2
127.08719	2.0
128.07121	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	3.1
55.01864	1.0
55.05503	1.5
56.05046	0.5
57.03437	1.4
57.07064	0.7
58.06591	3.0
65.03922	0.7
67.05490	0.8
69.03113	0.7
69.03433	8.0
70.06578	0.6
71.01354	0.6
71.04987	4.1
79.05495	13.3
79.11849	0.6
80.05822	0.5
81.03423	4.4
81.07057	50.0
82.06581	2.9
84.08142	26.0
84.08524	0.7
84.08651	1.2
84.77526	0.6
85.02904	1.2
85.06545	3.6
87.65843	0.5
93.60651	0.5
97.02864	0.9
99.04487	0.7
99.08102	6.6
100.07618	1.3
109.02888	4.2
109.04838	1.5
109.06519	35.3
109.10178	1.2
110.06033	0.9
110.06882	0.8
127.03925	7.9
127.07553	100.0
127.12323	0.9
128.06221	1.0
128.07071	2.2
128.07910	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01877	1.5
55.05511	1.3
56.05039	0.5
56.96576	0.5
58.06602	12.4
67.05518	0.4
69.03432	9.4
69.07063	0.3
70.06596	1.8
71.04993	0.5
72.13047	0.2
81.03421	3.9
81.07059	0.3
82.06581	1.9
83.01376	0.2
83.06108	0.3
84.08145	100.0
85.02901	0.2
85.07707	0.3
85.08470	2.1
85.37427	0.2
86.06042	0.3
95.01321	1.0
97.02891	0.8
98.09737	0.3
99.04482	0.7
100.02465	0.2
100.07637	0.7
101.00883	0.4
103.00642	0.2
103.53893	0.2
104.00944	0.3
104.01967	0.4
109.02875	4.8
109.03544	0.3
110.01009	0.2
110.06026	0.6
110.09673	1.3
110.97595	0.4
112.27734	0.2
112.54432	0.6
119.01913	1.1
121.01645	1.7
122.02003	1.5
127.03922	4.5
127.04910	0.3
127.05957	0.2
127.12315	3.7
128.04256	0.3
128.07115	1.2
128.08141	0.2
128.10724	1.2
128.98613	0.3
139.02713	0.5
140.03111	0.3
145.03557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
50.84019	0.7
52.61307	0.7
57.07072	46.5
58.07394	0.9
69.03427	6.9
69.07065	1.0
70.06593	0.9
70.14363	1.8
70.14694	0.8
72.08160	1.1
74.09716	37.4
84.08144	3.8
103.05445	1.1
112.07594	19.2
113.07961	0.9
119.99455	0.8
126.67290	0.7
130.06503	1.9
130.08655	4.5
130.15912	100.0
131.04944	0.7
131.16248	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03944	1.3
57.03442	0.4
57.07063	0.3
59.70612	0.3
63.20771	0.2
69.03429	0.6
69.13600	1.5
70.03759	0.4
77.03920	1.6
85.08457	0.5
86.09723	0.5
90.90379	0.5
95.04959	4.9
102.04687	0.6
103.05462	100.0
104.05795	2.9
105.04496	2.2
113.07933	2.7
130.15883	0.3
131.04919	12.8
131.06905	0.4
131.08968	0.8
132.05280	0.4
132.06529	0.7
148.60809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03942	0.7
58.61926	0.3
58.81824	0.3
69.03417	0.4
70.73634	0.5
77.03933	2.0
95.04963	3.8
102.04672	0.8
103.05463	100.0
104.05798	2.2
105.04524	1.9
107.62201	0.3
113.07906	0.8
124.66358	0.3
131.04924	14.7
139.68237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.5
57.03442	0.4
58.06600	0.6
60.08152	0.5
61.01152	1.7
65.39680	0.3
69.07067	14.1
70.06591	0.7
72.05644	0.3
73.06576	0.4
74.02446	0.7
84.08144	0.4
85.02975	0.3
86.06072	0.5
86.09705	100.0
87.02700	2.6
87.05580	0.7
87.10055	1.8
90.05559	0.9
98.22775	0.3
105.00114	0.3
106.66615	0.3
132.06593	0.4
132.10204	1.6
132.13850	0.4
133.03168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
66.31705	0.7
69.07063	2.1
69.79507	2.5
78.53439	0.6
80.59831	0.7
86.09704	100.0
87.10034	2.2
100.42806	0.7
132.10158	0.8
139.35368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	THTC
Peak:m/z	Relative Intensity
52.15324	0.7
53.03955	4.3
55.01869	1.5
56.05044	0.8
57.03426	5.2
58.06611	0.8
58.99584	9.8
59.96732	1.4
61.01150	75.9
61.28422	0.6
67.88447	0.7
69.03436	0.7
69.39503	2.2
69.39912	1.5
70.02940	0.7
70.06586	4.4
71.01353	0.9
71.04982	3.1
72.00354	2.5
72.08164	2.2
73.02926	3.2
74.02441	34.2
74.06078	3.0
74.99053	3.7
75.02690	4.8
77.00629	4.6
79.05482	0.8
83.01337	1.7
85.00665	1.3
85.01132	8.3
85.02897	13.2
87.02690	100.0
87.04472	1.9
87.05592	2.6
87.10056	1.0
88.02178	1.5
88.03063	1.1
88.03991	18.4
88.07642	2.1
89.04307	1.7
90.09189	1.2
91.02184	3.0
91.05505	1.4
98.06038	1.0
98.22629	0.8
103.77901	0.8
105.00087	5.4
105.03745	3.9
105.07061	4.4
109.80072	0.7
115.02124	0.8
116.03472	1.8
116.07111	2.0
119.01907	0.9
133.03186	27.6
133.04958	1.4
133.06612	1.4
133.07628	3.3
133.10138	2.4
134.06003	1.3
134.08138	1.0
134.11784	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	133.032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
56.05028	1.9
57.03439	4.9
58.06599	1.0
58.72939	0.7
58.99324	0.9
58.99594	13.1
59.96734	2.5
61.01154	75.5
61.95442	0.7
62.26870	0.7
63.38785	0.7
69.30293	1.8
69.30703	3.0
70.02962	1.5
70.06598	12.0
71.04998	2.0
72.00359	3.0
72.08138	1.5
73.41136	0.7
74.02443	53.2
74.06084	3.0
74.99069	4.7
75.02708	4.3
77.00632	4.8
82.79957	0.7
85.01125	9.0
85.02905	11.4
86.99024	1.2
87.02692	100.0
87.05583	1.9
87.10020	1.8
88.02200	2.0
88.03994	25.6
90.09183	1.8
91.02184	2.1
91.05461	1.1
102.09159	1.0
105.00095	6.9
105.03732	4.3
105.07036	3.4
106.06534	0.8
116.03453	2.0
116.07089	2.2
133.03192	28.2
133.06606	1.2
133.07608	5.9
133.10135	1.5
134.04460	1.2
134.07071	0.8
134.08116	1.0
134.11763	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
53.79722	0.3
55.01871	3.1
57.03426	0.4
68.05035	0.5
69.03403	0.6
69.53091	1.3
70.06608	0.5
74.02447	0.5
77.03927	1.1
79.05490	10.9
80.05811	0.4
87.10023	0.5
88.02213	0.7
88.03955	0.4
91.05482	1.6
95.04971	2.7
98.06055	0.7
103.05466	7.6
104.05788	0.4
105.04526	1.1
105.07028	88.8
106.06673	0.5
106.07351	2.8
107.04953	1.3
115.05465	3.9
116.07080	0.5
121.52866	0.3
131.04901	1.7
133.06490	100.0
133.10152	1.1
134.05957	1.1
134.06851	3.2
134.08055	1.4
134.09683	0.3
143.05972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02361	0.4
53.03935	0.4
55.01872	3.7
61.40401	0.2
69.31521	1.4
74.02430	0.3
77.03928	1.0
79.05492	10.1
79.05950	0.6
81.55265	0.3
87.10102	0.3
91.05463	1.3
91.83775	0.3
94.04221	0.4
95.04969	2.3
103.05463	7.8
105.04619	1.2
105.07025	82.4
106.07358	2.7
107.04959	1.0
115.05463	3.8
131.04913	1.8
133.06483	100.0
134.06837	4.0
143.06105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
55.01871	3.0
57.03419	0.5
60.04510	0.7
62.12119	0.4
68.05033	1.0
69.03425	1.4
70.06584	1.6
70.61170	0.8
74.02446	0.8
76.43504	0.4
76.96848	0.4
77.03944	0.7
79.05490	12.8
87.10033	0.6
88.02222	0.7
91.05467	1.4
95.04966	2.2
97.23284	0.4
98.06028	1.6
103.05472	7.1
105.04522	1.2
105.07027	83.2
106.06677	0.5
106.07346	2.7
107.04942	1.5
108.53558	0.4
115.05456	3.9
116.07065	1.3
131.04910	1.2
133.06490	100.0
133.10056	2.4
134.06033	0.9
134.06845	4.2
134.08034	3.4
143.06113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
55.01874	3.9
70.06579	2.1
72.08128	0.9
77.03922	0.8
79.05500	12.1
88.02227	1.2
88.04006	0.9
91.05484	1.9
95.04960	2.1
103.05485	7.0
104.49548	0.8
105.04556	1.4
105.07034	81.1
106.06606	1.2
106.07366	2.5
107.04942	1.5
115.05465	4.6
131.04938	1.5
132.90544	0.8
133.06499	100.0
133.07555	6.6
134.06879	4.0
134.08110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52221	0.4
50.61935	0.4
55.01872	3.0
56.05047	0.5
57.03432	0.5
69.34514	1.9
69.70282	0.4
70.06590	1.2
72.08141	0.6
74.02448	0.6
77.03923	1.1
79.05494	12.0
87.10068	0.5
88.02230	1.0
91.05470	2.3
95.04980	2.4
96.71509	0.5
98.23384	1.0
99.30923	0.5
103.05457	7.8
105.04533	1.4
105.07028	85.5
106.06669	0.7
106.07352	3.2
107.04936	1.0
115.05459	3.9
116.07099	0.9
131.04916	1.6
133.06491	100.0
133.10097	2.6
134.05963	0.7
134.06844	4.1
134.08025	0.9
138.77376	0.5
143.06061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.01534	0.5
53.03954	1.0
55.05508	3.4
65.03925	0.6
67.05508	1.1
69.03452	0.6
70.06601	0.8
71.44594	0.4
77.03931	0.8
79.05490	6.9
91.05484	23.6
92.05814	0.6
93.07054	6.0
95.04967	1.9
103.05446	3.7
105.04556	1.5
105.07034	80.8
106.07378	1.9
107.08617	0.9
115.05460	5.4
116.06224	1.5
117.07030	5.6
118.07813	7.0
119.08075	0.5
131.08572	10.2
133.06523	10.2
133.10130	100.0
134.06015	0.9
134.08090	0.6
134.10483	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.37133	0.3
53.03949	0.5
55.05513	1.9
65.03936	0.3
67.05495	0.7
70.06591	0.8
71.45886	0.5
71.46272	0.4
71.48721	0.4
77.03907	0.5
79.05494	4.7
87.09995	0.5
88.02213	0.5
91.05481	16.1
92.05774	0.4
92.06284	0.7
93.07046	4.5
93.34479	0.4
95.04972	1.1
103.05459	2.9
105.04533	1.0
105.07030	45.9
106.06542	0.5
106.07309	0.7
107.08595	0.9
115.05460	5.6
116.06195	1.1
116.07011	0.5
117.07021	5.3
118.07124	0.4
118.07830	5.9
124.85675	0.4
129.06963	0.7
131.08559	5.5
133.06506	1.5
133.07594	2.7
133.10127	100.0
134.06044	0.7
134.07114	0.4
134.08076	1.0
134.10471	3.3
154.16154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Aspartate
Peak:m/z	Relative Intensity
56.05035	5.5
57.03440	1.9
58.06595	3.4
60.04522	1.6
61.01142	2.0
62.01095	0.6
62.01500	1.2
68.05036	4.1
69.03431	3.1
69.05551	0.6
69.38866	2.0
70.02962	2.9
70.06594	11.3
71.04993	16.7
72.08160	8.2
74.02441	100.0
74.06078	10.1
75.02769	1.0
75.41524	0.6
80.05016	1.1
87.02693	0.9
88.02213	1.4
88.03055	2.7
88.03992	60.5
88.07628	9.8
89.02271	1.0
90.09189	8.1
95.17256	0.6
98.06040	4.8
102.09163	0.9
102.45203	0.6
106.06604	0.9
107.04962	0.7
116.03453	4.4
116.07092	5.5
134.04483	2.6
134.06053	3.3
134.07127	1.1
134.08113	9.3
134.09645	1.5
134.11765	26.5
135.05562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03949	2.3
53.14290	0.9
62.95872	0.8
63.02370	3.3
67.19445	0.9
69.88218	3.3
77.03925	4.4
79.05502	18.3
89.03922	100.0
90.04264	2.1
91.05442	1.0
95.04962	7.6
103.03146	0.9
105.04520	3.9
107.04960	26.4
117.03387	48.9
123.55689	0.9
135.04422	97.9
136.02168	4.3
136.04851	2.0
136.06197	4.1
145.03925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03940	3.5
55.01867	2.5
55.05510	6.4
65.03949	2.7
67.05497	1.9
67.73071	1.2
69.07060	2.6
69.18221	7.3
77.03887	2.8
79.05498	22.8
81.07058	1.8
91.05486	56.7
92.05782	1.4
92.64773	1.1
93.07052	45.2
94.72349	1.1
95.04971	9.8
103.05470	2.0
105.04520	5.2
105.07037	27.7
107.04951	4.8
107.08598	100.0
108.08932	3.4
109.06541	8.6
112.50639	1.3
115.05447	4.5
117.07005	4.8
119.06094	6.1
119.08581	22.5
120.09390	6.8
133.10107	1.5
135.05544	1.6
135.08067	11.6
135.11697	41.3
136.02165	31.3
136.03868	1.7
136.06194	24.3
136.07561	3.1
136.12090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	1.5
55.01879	0.9
55.05513	6.3
57.07057	1.4
65.03931	1.9
67.05482	2.2
67.63826	0.9
69.07066	2.7
73.52367	0.8
77.03932	1.5
78.53652	0.9
79.05499	17.4
81.07054	3.2
91.05487	43.0
92.05819	1.9
93.07048	50.8
94.07351	2.0
95.04983	7.4
96.47698	0.9
103.05460	1.4
105.04517	3.9
105.07037	17.5
107.04947	1.6
107.08597	100.0
108.08938	3.3
109.01100	1.8
109.06537	8.7
115.05463	1.5
117.07019	2.9
119.03597	2.0
119.06069	4.6
119.08586	22.6
120.09368	5.3
133.10110	1.7
135.04510	2.0
135.05521	2.0
135.06558	1.3
135.08073	4.1
135.11697	49.6
136.02167	31.9
136.06186	22.6
136.07535	2.0
136.12094	1.9
137.04488	1.3
137.09669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
60.32610	0.2
64.85960	0.2
68.53400	0.2
70.16024	0.5
88.75861	0.2
91.05486	2.7
92.02473	0.3
94.04067	2.3
105.49535	0.2
109.05109	0.5
112.05158	0.3
117.15616	0.2
119.02705	0.4
119.03560	6.9
119.04941	0.8
136.02216	1.5
136.06187	100.0
137.03569	0.4
137.04597	3.4
137.06657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	5.5
69.88069	3.4
70.19508	5.0
78.24617	3.5
91.05473	11.2
92.05027	3.8
93.07085	4.7
94.06552	12.0
94.54007	3.1
95.08641	4.0
96.04469	4.0
109.06586	3.9
110.06034	12.2
115.41505	4.2
119.03544	12.4
132.02057	3.8
136.06195	100.0
136.07326	5.0
136.07678	3.9
137.02530	18.6
137.03619	5.7
137.04623	32.1
137.05751	7.1
137.06558	8.7
137.10681	4.2
138.05495	94.3
158.10812	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03945	0.7
56.47583	0.6
59.23409	0.6
65.03953	0.8
66.04746	3.1
79.05508	3.2
81.07061	1.6
91.05473	2.8
94.04189	27.0
95.04972	1.1
105.03380	0.7
105.04510	1.0
107.04958	1.7
109.07645	0.8
110.06032	0.7
116.81398	0.7
121.06497	1.1
122.03647	50.0
123.03979	1.2
137.02570	2.9
137.05969	100.0
138.05453	2.2
138.06403	3.4
138.09079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03945	0.6
65.03928	0.6
66.04724	3.7
77.03958	1.0
79.05491	3.3
81.07043	1.0
82.01718	0.6
91.05476	2.6
94.04188	27.7
94.38424	0.6
95.04987	1.0
105.03380	0.6
105.04568	0.6
107.04948	1.1
109.06548	0.9
115.44485	0.6
122.03645	51.5
123.03978	0.8
129.10535	0.6
135.04373	1.2
137.05975	100.0
138.06297	2.7
138.23288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03939	0.8
55.01873	52.5
55.54808	0.7
55.84502	0.7
56.02198	0.8
65.03941	5.9
67.05505	3.7
69.83456	2.2
78.21264	0.7
79.05492	14.0
81.03427	1.6
81.07056	30.1
91.05479	100.0
92.05808	2.8
94.04186	2.7
95.04967	30.3
98.23444	0.9
105.04472	1.3
109.06514	29.8
110.06019	0.9
119.04940	52.3
120.05251	1.8
122.03664	1.3
125.93427	0.7
126.44706	0.7
137.02467	3.2
137.05974	44.2
137.06972	1.7
138.05446	1.2
138.06389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	52.3
65.03938	7.7
67.05504	2.7
70.65060	0.7
70.72973	0.7
70.73311	1.2
71.01345	0.7
77.03949	1.0
79.05486	12.3
81.03413	2.8
81.07053	28.1
84.80730	0.6
91.05477	100.0
92.05808	2.5
94.04174	2.1
95.04963	30.2
98.22628	0.8
103.32465	0.7
105.04504	1.0
107.04923	0.8
108.05725	0.7
109.05753	1.3
109.06512	30.7
119.04939	52.5
120.05323	1.6
122.03685	1.3
137.02504	1.4
137.05969	46.3
138.06340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03938	0.2
53.76958	0.1
57.26958	0.1
60.23926	0.1
62.90206	0.1
65.03945	0.4
67.05493	0.5
68.51964	0.2
69.17883	0.9
74.58666	0.2
78.03439	0.5
92.05004	5.2
93.05775	0.6
94.06564	12.7
95.06915	0.3
96.04483	1.7
98.23510	0.3
110.06039	8.3
121.04016	0.3
136.03931	0.2
138.05495	100.0
139.05867	2.2
139.11967	0.2
139.49255	0.1
154.05060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26117	3.6
70.54115	7.2
71.60594	3.8
73.90730	3.2
79.05476	4.3
82.99857	4.2
100.02488	5.6
101.00883	40.9
101.32861	3.7
109.72559	3.4
112.02905	4.0
115.48967	3.2
118.03522	11.4
119.01923	100.0
124.02498	5.2
137.02960	14.5
142.03503	32.7
142.12299	8.0
160.04593	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86944	9.6
82.99828	4.5
100.02474	4.0
101.00890	50.4
104.77644	3.5
118.03541	10.0
119.01923	100.0
124.02464	4.5
136.04517	3.8
137.02980	16.2
142.03506	31.7
160.04573	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86036	4.2
64.09171	3.9
71.18648	6.6
72.97781	3.6
82.99846	8.4
100.97257	4.0
101.00881	42.7
111.25633	3.3
118.03517	11.3
119.01923	100.0
123.76627	3.9
124.02422	4.1
136.04570	7.5
137.02957	21.2
142.03514	35.3
160.04533	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.7
55.61093	2.0
56.05029	3.2
57.07075	2.4
60.95852	21.0
60.98731	5.2
62.92988	3.1
69.03432	2.9
70.06592	17.9
70.50346	2.3
78.99788	6.5
84.04497	8.7
84.08160	2.5
85.02892	3.2
97.00799	8.7
97.02850	3.3
98.06066	37.5
98.06647	4.7
98.09698	2.2
98.97554	3.5
101.00889	2.1
102.00931	10.3
102.02232	2.7
102.05537	4.1
102.64806	2.4
102.96868	49.9
103.00629	24.6
116.07049	3.4
116.98643	5.9
119.01946	14.4
120.02003	56.8
120.03264	8.0
120.97910	49.9
121.00790	23.9
121.01675	100.0
121.96627	6.0
126.02190	2.9
126.05510	6.5
127.03945	2.7
134.99678	4.4
137.02979	3.1
138.03064	26.0
138.04279	9.0
138.98955	38.7
139.01804	51.5
139.02730	29.2
143.03709	2.6
144.03223	29.8
144.05576	4.2
144.06572	12.6
144.08090	5.1
144.10188	4.6
156.99994	7.5
162.04306	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72652	4.4
54.03698	4.2
56.05027	11.9
56.96558	4.1
57.03436	4.7
60.95859	40.5
62.92999	7.5
67.06936	4.3
69.03437	15.1
69.45109	17.7
69.45476	7.5
70.06594	43.6
72.04537	5.5
72.96853	3.7
78.99768	11.7
81.03429	5.5
81.93842	4.1
84.04498	38.4
84.08151	12.3
85.02892	22.3
97.00822	15.5
97.02899	9.8
98.06053	86.8
98.09711	8.2
98.97560	7.0
99.02654	4.5
99.04446	9.9
102.00974	10.7
102.05513	6.7
102.96864	100.0
103.00637	21.2
113.02975	15.8
114.05553	4.3
116.98648	9.2
119.01914	15.1
120.02007	65.6
120.03275	13.7
120.97905	98.1
121.00791	35.3
121.01682	98.8
121.96642	10.8
126.03719	11.7
126.05518	11.5
134.99663	5.2
137.02934	6.8
138.03085	30.4
138.04260	8.6
138.98927	65.2
138.99869	5.9
139.01819	74.7
139.02737	41.4
144.03188	27.1
144.04778	52.0
144.06514	30.3
144.08089	14.5
144.10190	13.7
156.90919	3.9
156.99963	12.3
162.04314	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03941	2.4
55.01624	1.2
55.01873	15.4
57.03438	16.2
60.08176	1.1
61.02916	2.5
62.92974	1.4
69.03429	50.5
69.19725	1.0
69.85246	1.3
69.98500	2.5
69.98843	1.2
71.04999	2.5
73.02907	3.8
78.07708	1.0
81.03408	5.9
85.02906	100.0
86.06050	1.2
87.04456	5.5
97.02890	18.3
98.23372	1.5
99.04453	22.6
100.07602	2.9
103.00638	1.5
109.02881	2.4
121.01660	4.0
121.96666	1.4
127.03926	9.5
145.04982	1.7
145.10579	1.2
146.08148	2.2
147.15047	1.2
158.33691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01875	13.2
57.03440	16.8
60.08160	1.2
61.02921	3.2
65.23016	1.1
69.03427	49.4
70.66283	2.2
71.04994	4.1
73.02917	3.0
81.03413	6.5
82.06597	2.0
84.02164	0.9
85.02904	100.0
86.03220	1.2
86.06066	2.6
87.04473	4.6
97.02893	17.7
99.04456	24.6
100.07610	3.1
109.02879	2.2
121.01664	2.9
127.03930	7.6
128.07103	1.2
139.02734	1.2
145.04984	3.1
145.10512	1.2
145.25166	1.0
146.06071	1.4
146.08156	5.9
146.11783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0497
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03940	4.0
55.01875	14.1
55.05513	1.4
56.96571	3.0
57.03180	1.2
57.03442	16.6
57.04553	3.1
57.72022	1.0
59.05003	9.8
60.05647	1.2
60.95853	1.4
61.02927	6.3
66.77731	0.9
69.03430	48.1
69.43412	4.4
70.06580	1.1
71.01357	2.1
71.04991	6.1
72.08157	39.4
73.02913	3.1
74.07207	11.0
75.04485	3.4
76.01662	0.9
81.03432	7.0
83.01358	1.4
84.08149	5.8
84.96034	1.4
84.99557	1.1
85.02905	100.0
85.08463	4.6
86.06071	6.2
86.09708	2.2
87.04482	4.1
89.03909	1.6
89.06015	1.6
89.10804	1.0
97.02896	14.7
97.07681	1.2
98.97592	4.4
99.04454	22.3
99.38097	0.9
100.07629	2.1
100.11275	1.1
101.00867	2.2
103.00636	10.5
106.89851	0.9
109.02888	3.1
112.11310	1.8
113.02349	1.9
114.10310	1.5
116.98656	1.3
117.03392	1.1
118.06496	1.6
119.01929	6.0
121.01670	42.8
121.96595	1.7
127.03931	12.1
128.11810	2.3
137.02945	2.2
139.01755	1.7
139.02687	11.3
139.03561	1.1
144.03351	1.1
145.03534	2.9
145.05005	7.4
145.07693	1.7
145.10591	2.4
145.14464	2.4
146.05983	1.6
146.08107	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	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.05496	0.9
56.05032	1.5
57.03446	3.4
58.06597	2.3
68.05018	0.8
69.03431	0.9
70.06606	0.6
70.29516	0.7
71.04998	0.4
72.04509	1.0
72.08156	22.9
75.09229	1.1
80.05031	0.8
81.03429	2.1
82.06146	0.4
82.06577	2.2
83.04977	1.6
84.04503	1.8
84.08141	2.3
85.02900	0.6
85.40519	0.6
86.06057	2.6
87.04468	0.9
91.05477	19.5
92.05805	0.5
98.06070	1.0
100.07590	3.1
110.06059	1.2
111.04447	1.0
112.11236	5.4
116.07076	1.2
117.05762	4.0
118.06541	100.0
119.04881	0.4
119.06135	0.6
119.06872	3.1
123.96504	0.6
128.04971	9.9
128.07092	1.6
129.05446	0.9
129.13873	1.6
138.59120	0.4
146.06010	44.9
146.08040	11.4
146.16489	0.6
147.04471	0.5
147.05434	0.9
147.06380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05913	0.5
55.05524	0.7
56.05029	1.9
57.03432	3.7
58.06609	3.2
68.05013	1.0
69.03436	0.8
69.07068	1.8
70.06604	1.0
72.04496	0.7
72.08157	40.9
73.08491	1.1
73.90062	0.4
75.09237	1.5
76.27699	0.5
77.85452	0.5
80.05009	0.8
81.03435	1.5
82.06577	2.1
83.04980	1.5
83.46856	0.5
84.04511	1.3
84.08149	4.9
85.02933	0.7
86.06068	3.2
86.09707	100.0
86.71401	0.5
87.04490	1.1
87.10042	1.6
90.04269	0.6
91.05473	3.1
98.06073	1.1
100.07632	2.2
105.07022	1.1
110.06032	1.5
111.04462	0.6
112.11250	9.2
116.07075	0.8
118.06547	7.1
119.04947	1.5
119.08601	1.4
128.04990	1.8
128.07062	1.5
129.05432	1.1
129.13887	1.8
146.06041	7.9
146.08121	12.6
146.09309	0.7
146.11723	1.2
146.16568	1.0
147.04436	1.8
147.05499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.01865	2.4
56.45245	0.4
63.79889	0.4
64.92792	0.6
65.03938	9.0
66.35249	0.3
69.50082	0.9
69.50488	1.0
72.08152	0.9
73.08480	0.6
84.04501	2.6
84.08135	1.1
91.05476	100.0
92.05801	3.1
95.04984	0.6
98.22718	0.4
101.60113	0.4
103.05434	1.1
105.07024	0.5
119.04937	55.9
119.08543	0.7
120.05279	1.5
123.96488	1.1
130.05034	0.4
146.91795	0.5
147.04416	15.8
147.05521	1.9
147.09258	0.9
147.11673	0.5
148.04829	0.5
148.07542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05033	3.5
60.08151	0.3
67.05496	0.4
67.64209	0.2
69.55543	0.6
70.06593	0.5
74.53677	0.2
84.04503	100.0
84.08139	23.9
85.02905	1.4
85.04247	0.2
85.04841	0.8
85.06539	0.6
85.08497	0.4
87.04453	0.5
88.04808	0.5
101.01666	0.2
101.07140	2.8
102.05533	4.8
105.69395	0.2
112.03928	0.3
130.04999	35.0
130.08646	3.6
130.09663	0.4
131.05339	0.4
147.07628	1.2
147.11264	0.2
148.06012	0.3
156.12712	0.2
163.79131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	3.2
58.06593	0.5
60.04541	0.3
60.08152	0.5
66.77951	0.2
67.05503	1.5
70.06590	0.6
70.66188	0.5
72.08153	0.5
74.00677	2.1
74.02436	0.4
74.41785	0.2
84.04507	19.5
84.08143	100.0
85.02898	0.7
85.06546	0.8
85.08490	2.1
86.06045	0.5
87.04471	0.8
87.06400	1.0
88.03984	0.6
88.04795	1.7
88.07640	0.5
90.05600	0.4
90.72806	0.3
91.05468	0.3
98.22688	0.2
101.07163	0.5
102.05540	2.8
102.09196	0.3
112.07613	0.4
113.31181	0.2
119.04899	0.7
120.01170	0.8
129.10268	0.4
130.04997	5.7
130.08640	17.1
131.08957	0.5
147.04439	0.5
147.05540	0.7
147.09583	0.5
147.11211	0.7
147.12207	0.5
148.04219	0.8
148.07623	0.8
165.57198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.113
Annotation	L-Lysine
Peak:m/z	Relative Intensity
55.05503	0.2
55.89009	0.2
56.05036	2.5
60.81594	0.2
67.05513	1.4
70.46313	0.4
74.02446	0.3
84.04507	6.5
84.08143	100.0
85.06538	0.7
85.08470	1.7
98.22784	0.2
99.79328	0.2
102.05544	1.6
102.09183	0.3
105.91171	0.2
112.07629	0.6
118.71835	0.2
129.10236	0.4
130.05002	0.8
130.08643	14.4
131.08989	0.5
147.11304	0.9
149.32918	0.2
152.02483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05037	2.3
56.96561	0.3
58.06597	0.8
60.95090	0.3
67.05502	1.2
69.90660	0.9
70.02949	0.8
70.06595	0.6
78.69572	0.3
84.04520	1.4
84.08145	100.0
85.02906	0.5
85.06554	0.4
85.08476	1.3
88.03990	0.4
91.05479	0.4
97.49083	0.3
98.23402	0.4
102.05518	0.5
102.09181	0.4
106.96569	0.5
112.07727	0.4
119.04952	0.4
129.10291	0.7
130.04991	0.7
130.08641	16.8
132.00639	0.3
147.05534	0.4
147.11316	1.0
148.07573	0.5
158.85460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1122
Annotation	Actinidine
Peak:m/z	Relative Intensity
65.03941	2.3
70.83195	0.2
76.64680	0.2
79.05504	1.3
84.04502	2.4
85.02935	0.2
91.05476	0.5
93.03389	0.6
93.07053	1.1
102.05545	0.4
103.05471	3.4
105.04463	0.2
106.06566	0.4
106.96541	0.3
107.04937	1.0
111.27710	0.2
118.06551	2.1
119.07343	0.4
120.08121	1.8
121.02869	4.0
121.03973	1.5
121.06488	0.6
131.04965	0.2
132.08089	2.8
133.08875	10.8
134.09256	0.3
146.09641	0.2
148.11211	100.0
149.02344	8.6
149.03577	0.3
149.11575	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	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
52.82142	0.5
53.03938	0.5
65.03941	16.3
69.33517	2.2
77.03907	0.9
77.72810	0.5
93.03407	5.2
95.04973	1.3
95.76776	0.5
103.05466	100.0
104.05817	2.1
105.03356	0.6
105.04502	0.9
108.33173	0.7
111.04427	2.9
121.02869	24.7
121.03976	9.3
124.54838	0.6
125.96722	0.6
131.04927	79.8
131.44128	0.5
132.05275	2.7
149.02339	59.8
149.05984	23.4
149.07048	1.4
150.02655	1.3
167.03424	0.7
168.91689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.87406	0.5
55.01867	0.6
56.75672	0.5
58.87642	0.5
63.85599	0.5
65.03941	25.7
66.04269	0.5
69.48061	2.7
73.47677	0.6
79.93324	0.5
91.05497	0.5
93.03398	7.7
93.07032	1.1
95.04960	1.6
98.03667	0.7
98.23482	0.7
103.05465	100.0
104.05789	2.1
105.04500	0.6
108.04516	0.9
109.18048	0.5
111.04434	5.2
121.02859	41.6
121.03970	13.7
121.06555	0.7
122.03194	0.9
129.95493	0.7
131.04924	81.0
132.05258	1.7
149.02336	91.3
149.05977	27.4
149.07071	2.2
150.02692	2.8
167.03349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02358	0.9
53.03941	0.9
65.03940	27.5
71.45096	0.8
72.93789	1.2
77.03912	2.1
79.05492	35.9
80.05816	0.9
85.78593	0.8
85.88760	0.6
91.05468	6.9
93.03390	7.7
93.07044	27.3
95.04967	5.2
103.05463	89.8
104.05822	1.8
105.04515	2.4
105.06997	1.5
107.04247	1.4
107.04949	21.1
108.04489	0.8
111.04427	5.2
112.56390	0.7
121.02859	42.3
121.03970	14.7
121.06495	13.7
121.07453	1.3
122.03208	1.0
122.04219	0.8
126.79455	0.8
131.04929	8.1
147.46114	0.7
148.97701	1.5
149.02333	100.0
149.06000	8.7
149.07108	1.8
150.02644	2.2
150.05540	0.9
167.03429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05513	13.3
65.03945	16.5
67.05506	35.3
69.07072	23.5
69.77992	3.9
69.78367	3.4
70.47881	1.6
77.03913	2.7
78.55559	1.8
79.05492	62.9
81.03426	2.1
81.07058	97.2
82.07398	2.3
83.08607	7.7
85.15706	1.6
85.30122	1.6
87.29186	1.7
91.05481	26.4
93.03407	4.6
93.07043	100.0
95.04969	5.5
95.08609	21.2
105.04499	2.9
105.07005	7.9
107.04956	37.9
107.08595	83.1
108.04458	2.6
109.06508	1.9
111.04458	5.8
119.06031	1.8
119.08616	2.3
120.05720	3.3
121.02863	25.7
121.03963	8.8
121.06541	2.9
121.10152	27.6
149.02341	69.7
149.09631	19.2
149.13260	82.6
150.02647	3.8
150.09065	2.7
150.13675	3.8
164.49043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.73195	0.8
52.14294	0.9
55.05507	1.9
60.53341	1.0
65.03941	28.2
66.04256	1.3
67.05512	6.0
69.07048	3.7
71.10730	1.7
79.05499	10.2
81.07059	17.2
82.43179	0.9
83.08572	1.1
91.05488	3.5
93.03409	7.5
93.07047	17.5
95.08595	3.7
105.07029	1.6
107.08595	15.1
108.04472	3.6
111.04453	6.5
121.02864	39.4
121.03978	16.3
121.07561	1.0
121.10166	4.3
122.06013	1.2
126.05527	2.8
132.08072	1.8
149.02342	100.0
149.06964	5.4
149.13258	15.5
150.02663	3.4
150.03745	1.8
150.05499	1.6
150.09113	1.6
167.03484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62773	0.3
56.05038	100.0
56.96566	0.4
57.03439	0.4
57.05383	1.0
58.99583	0.9
61.01152	57.3
62.01116	0.4
69.03430	0.4
69.42878	0.8
69.43264	0.8
70.06606	0.6
74.02444	6.3
74.06076	6.4
74.99060	0.6
75.02711	1.1
77.00638	0.4
84.04510	6.2
85.02911	2.8
85.04875	0.5
86.04970	0.4
87.02692	11.3
88.07640	1.9
89.04230	0.5
98.22665	0.8
102.05026	0.5
102.05544	19.6
104.05330	69.0
105.00124	2.2
105.03734	1.6
105.05664	0.6
119.10665	0.4
128.02338	0.5
132.05453	0.4
132.10197	0.4
133.03195	46.1
134.03546	0.4
150.02695	1.8
150.05811	6.0
150.07733	0.9
150.09137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0584
Annotation	L-Methionine
Peak:m/z	Relative Intensity
56.05036	100.0
57.03436	0.8
57.05367	0.9
61.01151	58.5
63.70577	0.5
71.12437	0.8
74.02437	5.8
74.06076	7.6
75.02724	0.8
84.04499	3.5
85.02892	3.7
87.02693	12.6
88.14782	0.5
97.37679	0.4
102.05540	20.7
104.05328	72.0
105.00096	1.0
105.03721	0.8
105.07025	1.0
115.02138	0.6
122.03173	1.1
122.06067	0.5
133.03191	45.1
134.03477	0.6
148.24701	0.4
150.02663	2.7
150.03703	0.5
150.05814	5.7
150.09100	0.9
158.38562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03957	0.5
56.44895	0.4
59.44593	0.4
63.45857	0.5
65.03926	0.7
66.04725	0.6
67.05509	1.1
69.61492	0.4
69.65952	1.8
75.17108	0.4
77.03930	0.4
78.04700	1.2
79.05479	1.8
80.06261	3.0
81.07068	0.8
82.06618	0.4
89.06017	0.8
90.04688	2.4
91.05482	5.3
93.03368	0.6
93.07063	0.8
95.04964	1.1
95.08637	0.7
98.23522	0.5
105.03383	1.4
105.04532	0.6
105.07029	0.8
106.04178	2.3
106.61837	0.4
107.04958	21.9
108.05741	10.1
108.06843	0.4
109.06515	1.0
109.07652	0.5
110.06106	0.4
118.04185	1.2
123.08111	0.7
123.37794	0.4
135.04427	5.9
136.05200	4.6
151.07542	100.0
152.07890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03940	0.4
55.01868	0.6
55.05501	1.2
57.07068	0.7
59.04993	0.9
65.03940	0.4
67.05163	0.3
67.05504	4.5
69.03421	0.8
69.07062	1.4
70.74005	0.2
79.05502	3.4
81.03403	0.5
81.07059	10.3
83.04994	0.3
84.72739	0.2
91.05475	3.7
93.07051	3.9
95.04967	2.2
95.08602	3.4
97.06531	0.8
103.05470	0.4
105.07030	8.5
105.80450	0.3
107.04940	0.5
107.08590	4.9
108.05771	0.3
109.06521	11.7
109.10155	7.2
118.07758	0.4
119.06077	0.8
121.06482	0.3
121.10147	1.8
123.08073	4.1
123.11707	2.8
128.05830	0.3
131.08543	0.6
133.06505	0.4
133.07567	0.2
133.10136	3.4
136.08827	1.7
151.11179	100.0
152.07057	0.3
152.11537	2.5
159.34685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02986	0.5
56.46255	0.2
56.96552	0.9
57.03430	0.7
59.04990	0.2
61.02948	0.3
70.99874	0.3
73.02933	0.3
80.02498	0.2
82.04075	0.5
84.02409	0.2
84.08138	0.6
85.02917	0.3
85.95207	0.2
91.02424	0.3
97.63872	0.2
98.97600	0.4
100.02493	0.3
101.00891	0.4
103.02473	0.3
106.06525	0.3
109.05130	1.9
110.03527	10.0
110.97568	0.6
115.02388	0.5
117.03989	0.2
119.01894	0.7
123.30363	0.2
124.07582	0.3
128.04568	3.6
128.05499	0.2
128.52515	0.2
128.98619	0.6
129.00366	0.2
129.03952	0.3
133.03487	0.6
134.04630	1.0
134.06024	1.3
135.03024	18.9
136.01468	0.3
136.03491	0.2
146.99702	0.4
147.01408	0.5
152.05678	100.0
153.04080	23.4
153.06053	1.0
154.02441	0.5
154.04469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
55.05504	6.7
57.03430	3.4
67.02985	1.8
67.05505	23.6
69.07070	39.8
69.33229	9.5
70.95853	5.3
71.95265	31.7
73.26822	1.7
79.05495	19.2
81.07056	30.1
83.04977	4.0
83.08625	5.2
88.96917	1.8
91.05463	4.1
93.07044	34.5
95.04968	2.5
95.08608	17.6
97.06545	16.0
101.82619	1.7
107.08591	41.2
108.04469	1.7
109.10166	29.2
109.48055	1.5
111.03965	1.6
111.05548	3.1
111.08043	4.3
111.11770	1.8
126.06322	4.4
135.11691	100.0
136.03951	4.4
153.05437	4.0
153.07558	8.9
153.10204	4.2
153.12743	99.7
154.04968	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03955	2.2
55.01844	1.0
55.05510	13.3
55.89318	1.2
57.07077	2.2
58.06599	1.7
59.05002	8.7
64.81708	1.0
67.05503	8.0
67.11935	1.1
68.96339	1.0
69.03432	1.0
69.07067	9.1
69.89517	0.9
70.94248	1.3
70.95860	2.3
71.04988	38.1
71.44122	1.3
71.95263	2.9
73.06554	21.2
79.05495	21.3
81.07056	100.0
83.04969	2.1
83.08604	1.2
85.06531	1.2
91.05493	7.7
93.06450	2.5
93.07043	44.5
94.06614	1.6
94.35142	1.1
95.04964	5.4
95.08611	7.2
96.08145	1.1
97.06538	6.5
103.43312	1.1
105.04534	1.9
105.07043	3.0
107.08591	37.4
108.08152	2.7
108.08875	1.7
109.06520	2.2
109.10149	7.4
110.09673	10.8
111.04434	1.2
111.05594	1.3
111.08091	4.5
119.06126	1.0
119.08600	2.6
135.08046	2.2
135.11696	28.8
136.11203	1.9
148.97350	2.6
153.06564	1.8
153.09152	1.5
153.10220	2.2
153.12747	15.1
153.13866	2.3
154.08632	1.2
166.29572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	DDA
Peak:m/z	Relative Intensity
51.94323	0.3
53.03931	0.7
55.05511	38.7
56.23123	0.3
57.03435	0.7
57.07076	0.6
59.04998	1.0
62.48298	0.3
67.05499	1.5
69.03426	0.7
69.07067	2.6
70.95859	0.7
71.04989	0.6
71.08646	0.3
71.95264	1.8
79.05497	1.8
81.07066	1.9
83.04980	100.0
83.08672	0.4
84.05309	0.9
84.90989	0.4
91.05480	0.7
93.07043	3.7
95.04971	1.5
95.08601	9.8
95.09207	0.6
97.06532	1.9
98.23417	0.9
105.07041	0.5
107.08602	3.7
109.06515	1.1
109.10161	3.8
111.08060	2.1
120.24045	0.4
123.11732	0.4
125.09638	0.5
135.04419	0.5
135.08125	0.4
135.11696	2.3
135.69109	0.3
136.03955	0.5
153.01843	0.6
153.05547	0.5
153.06624	0.9
153.09138	0.7
153.12740	18.5
154.05002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	2.1
53.86470	1.3
55.05511	13.8
57.07077	2.1
59.04999	7.3
60.34325	1.8
65.03941	1.6
67.05511	5.4
69.07069	10.3
69.72022	5.8
70.95879	1.7
71.04990	34.7
71.05360	3.2
71.95263	5.8
73.06556	22.8
79.05495	23.4
81.07057	100.0
82.30018	1.5
83.04991	2.8
91.05476	10.6
93.06451	2.3
93.07048	42.5
95.04961	4.0
95.08588	9.6
97.06535	6.9
105.07001	2.0
107.08598	41.3
109.06519	3.0
109.10158	8.4
111.08087	5.6
121.06484	1.9
135.11700	31.2
153.09091	4.3
153.10234	2.0
153.12740	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
55.05517	2.0
55.51289	0.3
56.79846	0.3
57.03443	1.1
57.07079	100.0
58.07415	1.4
67.05503	3.6
68.85678	0.3
69.07076	1.2
69.26147	1.3
70.95880	1.3
71.05008	0.7
71.08648	0.5
72.93787	2.5
73.06551	0.4
79.05521	0.6
81.03397	0.4
81.07059	6.4
83.04987	1.5
83.08622	0.4
85.06548	17.8
86.06905	0.4
88.96913	0.4
91.05441	0.4
91.69303	0.4
95.04964	1.8
95.08622	4.5
97.06557	0.5
98.98489	0.8
99.04481	0.6
99.08102	1.1
109.06535	0.6
109.10176	2.8
110.07185	1.7
111.04465	1.1
111.98483	0.9
113.06028	0.9
113.96436	1.2
127.07557	0.6
129.05484	0.3
129.99529	0.4
131.97467	0.8
132.91428	0.3
132.95847	2.3
137.07130	0.5
137.09656	1.3
137.13310	0.7
141.07050	0.6
147.51237	0.3
150.96902	3.5
155.07086	2.4
155.08987	3.3
155.10771	0.5
155.14316	8.3
156.14934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan
Peak:m/z	Relative Intensity
53.03905	1.6
55.05514	12.0
55.93523	1.9
56.96553	5.5
57.07069	6.0
67.05507	11.3
69.07072	41.7
69.58673	3.2
69.59044	6.1
69.96174	2.1
70.19143	1.6
70.95870	19.2
71.04997	2.5
71.08635	56.2
71.95270	3.9
72.04532	2.1
72.93795	23.8
79.05485	1.7
81.07062	17.9
83.04986	8.8
83.08629	3.0
85.06546	50.0
86.06051	2.0
86.09697	2.4
88.96883	3.7
90.94834	7.0
95.08627	17.9
96.04576	1.5
97.06496	1.5
98.22682	3.0
98.98469	13.2
99.04444	4.9
99.08096	32.9
100.93113	1.6
109.06547	1.8
109.08324	1.5
109.10165	5.8
110.07197	3.5
111.04443	5.5
111.11730	2.6
111.98475	9.5
113.05985	6.3
113.96381	9.8
122.34442	1.7
127.01661	1.7
127.07558	4.6
129.99539	4.8
131.96158	3.8
131.97446	7.5
131.99710	4.7
132.95842	19.4
137.07053	2.5
138.05550	2.0
149.97212	7.1
150.00699	2.7
150.96892	39.3
155.07034	15.7
155.08406	7.0
155.14316	100.0
155.97464	3.1
156.08046	2.4
168.97897	2.7
173.98558	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	156.0423
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
50.01014	0.7
58.53009	0.6
69.95208	1.8
74.09328	1.2
74.09723	16.6
74.10145	1.0
83.06104	0.7
95.06096	1.7
96.96918	3.5
98.23387	0.7
110.07168	14.0
112.05282	6.0
130.06306	17.6
140.16528	0.6
156.04214	100.0
166.62375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01876	0.9
55.93531	0.3
56.05032	0.7
56.96554	0.1
58.06573	0.1
65.31669	0.1
68.05028	0.6
69.28688	0.3
69.29079	0.2
70.06600	0.7
70.95863	2.6
71.00437	0.1
72.08144	0.2
72.93791	2.0
73.02917	0.2
74.09704	0.2
81.04532	0.7
82.05315	2.0
82.99853	0.7
83.06106	9.5
84.08203	0.2
87.07877	0.1
88.96904	0.5
90.94817	0.5
93.04527	6.4
95.06094	7.3
96.08115	0.2
100.02486	0.4
101.00880	7.7
101.02621	0.2
102.00966	0.2
103.02431	0.2
110.07162	100.0
111.05579	0.4
111.06845	0.3
111.07510	1.2
111.98479	1.5
115.02435	0.3
118.03558	0.2
119.01918	26.8
120.02007	1.0
121.02428	0.2
124.02467	1.3
125.07052	0.3
129.99533	0.6
130.06317	0.3
132.02016	0.3
132.05037	0.2
132.95830	3.9
133.01645	0.3
133.03450	1.6
137.02959	7.4
138.03049	0.3
138.05469	0.2
138.06607	0.2
138.09137	0.2
142.03497	14.8
143.03641	0.5
150.95642	0.1
150.96892	5.9
151.04510	0.5
155.97429	0.5
156.04152	1.0
156.07683	11.1
157.08244	0.1
157.09717	0.2
160.04561	3.8
165.05066	0.2
173.98570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
55.93503	0.2
56.05026	0.7
56.96569	0.1
68.05027	0.8
68.99800	0.3
69.04526	0.2
70.06586	2.6
70.75249	0.2
70.95863	1.8
72.08160	0.2
72.93795	1.0
72.98101	0.1
81.04527	0.9
82.05318	2.4
82.99830	0.7
83.06103	8.9
86.06076	0.2
88.96907	0.5
90.94848	0.2
93.04526	6.4
95.06091	7.2
98.06054	0.3
100.02506	0.2
101.00876	7.6
102.00967	0.2
103.02469	0.2
110.07161	100.0
111.00804	0.4
111.05542	0.6
111.07462	1.2
111.98473	0.9
112.08730	0.6
115.02438	0.2
115.08675	0.2
116.01971	0.1
119.01918	20.0
120.02024	0.8
124.02422	0.9
125.07114	0.3
127.32121	0.1
128.08160	0.2
129.99501	0.2
132.05051	0.7
132.95822	2.4
133.03461	1.8
134.02959	0.2
137.02946	5.1
137.03973	0.3
138.03000	0.2
138.05463	0.2
138.06604	0.2
139.00287	0.3
139.04967	0.2
142.03497	11.5
143.03622	0.3
144.24075	0.1
150.06129	0.2
150.96877	2.8
151.04536	0.7
155.97404	0.3
156.05031	0.4
156.07680	11.7
156.10239	0.4
156.13799	0.3
157.07924	0.1
157.10886	0.2
160.04555	2.6
173.98537	0.3
174.06090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86524	0.8
53.29786	0.8
54.39366	0.9
55.01874	100.0
55.03545	0.8
55.05507	1.6
55.16991	0.9
56.02190	1.1
56.96558	1.3
57.03441	3.3
69.03426	1.8
69.07072	1.8
70.06593	5.6
70.27431	1.9
70.56791	1.0
71.01373	1.1
72.08166	1.3
73.02904	4.9
81.03458	1.4
81.04060	0.8
83.01350	7.7
83.04998	1.1
83.06066	0.9
84.08156	0.9
84.99280	3.5
85.02922	0.9
96.06442	1.1
97.02879	1.8
97.06555	1.9
97.10161	1.3
98.06052	2.0
98.97584	5.5
101.02383	1.7
102.00985	1.2
110.07195	4.9
111.00793	6.8
111.04454	0.9
111.05565	1.4
111.06848	2.7
111.07497	14.6
111.08153	1.2
112.07595	4.2
115.96553	0.9
116.98632	4.4
119.01922	3.6
120.02010	8.0
120.02853	0.9
120.03116	0.7
121.01672	1.2
122.35921	0.9
125.07132	1.5
129.01852	1.4
131.74582	0.9
133.03503	1.4
134.02954	2.3
134.99680	2.9
138.03078	3.9
139.08713	1.0
143.03636	6.1
157.01338	12.0
157.04924	4.1
157.07930	2.1
157.09761	2.3
158.11775	2.4
174.98550	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
56.96555	1.3
57.07081	0.4
58.06594	1.4
60.05656	0.5
64.69648	0.3
68.05029	0.9
69.03423	0.5
69.07064	0.4
70.06592	64.7
70.87766	0.5
71.04977	2.4
71.06920	1.3
81.07045	0.9
84.08150	0.5
85.06531	0.3
85.07666	1.4
92.22359	0.3
95.06086	1.8
95.08614	2.5
96.04509	0.4
96.08132	0.7
97.07626	0.7
97.10178	2.7
98.06065	1.6
98.97581	12.3
99.01967	0.6
99.04476	1.6
102.09179	0.5
103.00626	1.3
110.07175	0.8
112.07635	2.3
112.08729	55.7
113.07140	2.7
113.09055	0.5
113.17375	0.3
114.05475	0.4
115.08688	2.2
116.07090	14.6
116.98617	6.4
118.53651	0.4
119.01881	0.4
121.01653	3.6
123.08071	0.6
134.99638	3.0
139.02702	0.8
140.08250	0.3
140.10675	0.9
141.06598	4.2
144.03215	1.6
153.00722	0.4
158.09250	100.0
158.15349	3.0
159.07668	1.5
159.09607	0.9
162.04289	0.6
163.51981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87814	0.3
58.02937	0.4
68.90631	0.3
71.04246	0.4
75.18282	0.3
82.01434	0.6
82.99828	4.7
100.02484	4.5
101.00877	44.4
102.00973	0.7
118.03518	7.5
118.04832	0.4
118.96768	1.2
119.01915	100.0
120.01993	1.7
121.02345	0.5
124.02444	8.1
136.04547	3.7
137.02950	21.3
142.03494	63.7
143.03632	2.0
143.57108	0.4
160.04550	54.9
161.02962	2.6
161.04637	1.5
165.05087	0.7
165.52423	0.4
166.75021	0.3
178.05600	12.1
179.04012	3.0
179.05528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00664	0.5
55.05503	0.7
56.05026	1.1
56.96547	1.2
57.03433	1.2
58.02946	0.8
58.06591	0.5
58.99868	0.4
59.93100	0.7
67.99417	0.5
68.05035	0.5
69.21751	0.4
70.06583	1.0
70.24435	0.8
70.24759	0.5
72.08155	2.0
82.01442	0.4
82.99848	2.7
84.04506	1.0
84.08158	2.8
85.06557	0.4
86.06052	0.7
87.04478	0.9
93.07037	0.4
96.04491	1.0
98.09692	0.5
98.97580	3.9
99.97922	2.0
100.02510	2.9
100.07626	0.6
100.97179	1.7
100.98019	1.3
101.00877	31.0
101.06007	1.0
107.91296	0.4
114.05524	0.7
114.09185	0.8
116.98618	1.9
117.98952	1.6
118.03517	6.3
118.96748	3.0
118.98226	1.6
119.01916	100.0
120.02020	1.6
121.02437	0.5
124.02449	4.8
130.08636	1.0
132.06609	1.0
134.99641	1.0
135.99986	1.0
136.04570	4.1
136.99229	0.9
137.00143	0.7
137.02954	29.8
142.03496	58.5
143.03644	1.2
154.96475	1.1
160.04559	50.0
160.06003	1.9
160.07462	1.0
160.09709	1.8
160.10913	1.1
160.13286	2.3
161.03020	2.2
161.04684	1.3
165.05099	0.8
178.05597	14.0
179.04002	3.1
179.05452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	2721-59-7
Peak:m/z	Relative Intensity
56.96571	0.3
58.64457	0.2
59.93089	0.2
63.28599	0.2
65.40903	0.2
65.54203	0.2
67.04258	1.1
69.03408	0.2
70.13876	0.6
77.94122	0.2
79.05518	0.3
79.36495	0.2
82.99847	0.4
91.05459	0.5
98.97579	0.8
99.97915	0.9
100.02487	0.3
100.97152	0.4
101.00884	3.3
102.00871	0.2
105.07025	2.9
107.04913	0.3
114.05514	0.2
115.05454	11.2
116.98602	0.6
117.04961	0.4
117.05758	5.6
117.07005	0.4
117.98978	0.5
118.03515	0.9
118.06558	0.5
118.96774	1.2
118.98198	0.3
119.01917	9.6
124.02460	0.8
130.06502	0.8
131.04886	0.4
131.07277	0.5
132.06511	0.4
132.08084	14.5
133.05362	0.5
133.06471	3.0
134.99638	0.3
136.95386	0.2
137.02957	2.5
138.65125	0.2
142.03503	7.8
142.06526	3.0
143.07257	1.5
145.05290	0.3
154.96440	0.5
159.06790	2.5
160.04735	5.6
160.07568	100.0
161.03024	0.2
161.07982	1.7
162.13176	0.2
172.43524	0.2
178.05649	1.2
179.04077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14069	0.2
56.05030	0.2
56.96569	0.3
58.99845	0.2
60.95854	0.2
64.49120	0.1
72.04513	0.2
72.08159	1.5
73.02936	0.2
74.06079	0.2
81.74877	0.2
82.99824	1.1
83.30702	0.1
84.08144	1.6
85.06502	0.2
87.04443	0.2
92.24725	0.2
96.51659	0.1
97.02868	0.2
98.97579	0.5
100.97228	0.3
101.00879	19.6
101.05960	0.2
101.95023	0.6
102.00967	1.3
102.96866	0.6
103.00633	0.3
105.07021	0.2
115.03885	0.2
116.07076	0.2
116.98614	0.5
118.06547	0.2
119.01920	100.0
119.96040	0.3
119.96812	0.2
119.98823	0.2
120.01995	5.6
120.97897	0.3
121.01678	0.5
121.02407	0.3
124.02393	0.2
125.02605	0.4
129.01765	0.2
130.08662	0.5
133.03494	0.2
133.10135	0.2
134.99648	0.2
135.57246	0.2
137.02957	36.0
137.97112	0.2
137.99846	0.3
138.03041	1.8
138.98976	0.4
142.03461	1.6
143.02007	0.2
143.03625	4.8
144.03227	0.4
156.97588	0.2
159.04826	0.2
160.04590	0.5
161.02968	5.7
161.04672	4.1
161.07076	0.7
161.09610	0.3
161.13200	0.2
162.04321	0.4
162.05502	0.2
176.04097	0.3
179.04018	6.8
179.05679	1.4
179.36847	0.2
180.04065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.2
58.99886	0.2
63.23452	0.2
66.43430	0.2
82.01443	0.2
82.99842	3.1
83.99931	0.3
98.97594	0.6
101.00882	35.9
102.00945	3.1
102.96896	0.3
103.00615	0.4
107.05183	0.2
109.70688	0.2
111.00412	0.3
111.04450	0.2
116.05801	0.5
116.98643	0.4
119.01920	100.0
120.02012	4.6
120.97910	0.3
121.01641	0.5
121.02431	0.3
124.02467	0.2
124.63973	0.1
124.97532	0.2
125.02592	0.7
127.47799	0.3
136.48416	0.4
137.02959	22.1
137.48311	0.2
138.03050	0.9
139.03482	0.2
142.03470	1.0
143.01917	0.4
143.03630	4.5
144.03287	0.6
145.48904	0.6
160.04543	0.4
161.02963	6.1
161.04674	3.5
162.04301	0.4
179.04021	6.4
179.05684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03946	0.6
55.05519	6.0
69.03448	0.4
69.07075	2.3
69.83354	0.6
72.08161	0.4
79.05490	1.7
79.13624	0.3
81.07074	0.9
84.04514	1.1
84.08133	0.4
85.36368	0.3
89.43653	0.3
91.05488	6.0
93.07053	1.1
95.04968	0.5
98.23366	0.4
103.05467	1.1
104.06260	0.4
105.07038	14.9
107.08614	1.5
108.45816	0.3
115.05476	1.2
117.07037	2.8
119.08588	100.0
120.08913	1.6
121.10143	2.8
130.34695	0.4
131.08572	2.3
133.06505	1.3
133.07509	0.4
133.10135	18.1
143.08595	0.8
144.06522	0.5
146.07263	0.4
146.10927	1.2
159.11707	1.0
161.05980	1.1
161.07155	1.2
161.09596	2.5
161.10429	0.4
161.10979	0.7
161.13269	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	1.1
55.05510	5.0
64.50092	0.6
67.05502	2.8
67.79110	0.6
68.20203	0.6
69.03439	1.0
69.07068	7.7
71.45052	0.7
71.45445	0.6
72.04504	1.4
74.06078	1.0
74.53295	0.7
75.29414	0.6
77.03913	0.8
79.05492	5.0
81.07053	15.7
81.07506	1.3
84.04501	1.3
85.02897	1.0
88.03971	0.8
91.05479	15.9
93.07045	9.0
95.08598	2.0
95.91463	0.6
97.02902	1.9
97.38615	0.7
98.05986	0.7
103.05467	1.9
105.07030	67.3
106.07333	0.7
107.08587	2.8
117.07034	4.8
119.08580	100.0
120.08859	1.3
121.10160	0.9
131.08569	3.8
132.09302	1.5
133.10127	33.7
134.08112	1.1
138.03432	0.7
144.06540	1.9
145.10088	0.9
146.10892	2.0
159.11700	2.8
161.07135	2.3
161.13260	66.4
162.07605	1.3
162.13626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
63.02389	1.7
69.64721	2.3
77.03930	1.7
79.05501	10.1
85.45963	0.7
89.03920	70.1
90.04240	1.1
91.05531	1.0
95.04978	3.1
105.04508	1.0
107.04957	16.7
107.46778	0.7
110.17474	0.8
111.57413	0.8
117.03386	63.9
118.03726	1.5
121.64526	0.9
131.29672	0.8
134.33037	0.7
135.04419	100.0
136.04755	1.9
145.02856	51.9
145.03871	2.6
148.35539	0.7
150.12918	0.7
163.03909	97.4
164.04239	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37642	0.5
53.00295	0.6
53.03957	0.6
53.48962	0.5
55.01870	0.5
62.32594	0.5
63.02383	1.0
69.03427	0.7
70.41719	1.0
77.03917	1.6
79.05499	9.1
85.02898	0.7
89.03922	57.0
90.04253	0.9
91.05496	1.3
95.04968	2.8
103.05463	1.4
105.04492	1.3
107.04950	12.0
116.45022	0.5
117.03381	56.0
118.03730	0.9
131.04918	1.7
132.08086	0.5
135.04417	94.5
135.11646	0.6
136.04742	1.1
145.02855	47.5
145.03899	2.4
163.03905	100.0
163.11127	1.3
163.12297	1.0
164.04251	1.5
174.35153	0.5
184.90163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03942	4.0
53.29181	1.6
55.01874	17.6
55.05506	4.0
56.05021	5.4
57.03437	21.7
57.07075	12.0
59.04996	2.5
61.02925	9.0
69.03430	67.0
70.06585	2.7
70.57948	2.6
71.01346	1.9
71.04985	3.1
72.98198	1.9
73.02916	12.5
73.52091	1.7
74.02432	1.8
77.03942	4.3
79.05484	6.5
80.05016	2.2
81.03405	6.8
83.08625	1.7
84.04478	2.2
84.08135	3.6
85.02907	86.2
89.06031	11.1
92.02596	2.7
95.04967	15.3
97.02901	20.9
97.27095	1.5
97.48157	1.5
99.04456	9.8
101.02377	13.1
101.09674	1.7
102.05543	10.5
103.03912	2.1
105.03392	7.8
105.04501	6.6
106.06563	8.5
107.04947	2.2
107.08620	1.9
108.07100	1.9
109.02824	3.0
115.03914	3.3
117.05707	6.0
120.08086	3.1
121.01694	12.5
127.03921	19.8
130.06520	15.7
131.04971	1.9
132.08092	22.1
133.02045	2.2
133.02872	23.8
135.04430	22.6
139.02713	6.4
162.48499	1.9
163.03902	100.0
163.07515	2.4
163.08719	2.4
163.12363	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
53.73968	1.3
54.95773	1.2
55.01871	21.0
55.05510	7.3
56.05032	2.9
57.03437	20.5
57.07072	12.8
61.02929	16.7
63.01232	1.5
63.09145	1.4
66.88319	1.2
68.14493	1.3
69.03429	72.7
69.31593	4.1
69.31979	2.9
71.01350	2.6
71.04980	3.4
73.02911	11.5
74.06046	1.5
77.03928	4.1
79.05484	6.3
80.05005	1.8
81.03405	5.3
83.01367	1.9
84.08150	2.1
85.02905	94.7
85.04832	2.5
87.04484	1.8
89.06023	9.0
91.05453	1.8
92.02632	2.8
95.04970	14.8
97.02890	25.1
99.04450	13.9
101.02380	15.7
102.05540	4.0
103.00613	3.3
105.03392	9.8
105.04501	8.2
106.06553	4.5
107.04919	1.7
107.07059	3.4
107.08585	1.7
109.02851	3.3
115.03930	3.0
115.12457	1.4
117.05708	5.7
117.06967	1.7
118.08636	4.0
119.01914	1.7
120.08091	3.9
121.01632	12.6
127.03902	20.1
130.06516	12.5
131.04892	1.8
132.08092	19.1
133.02837	22.8
135.04402	24.6
139.02705	6.0
145.06442	2.2
163.03896	100.0
163.07516	3.4
163.08731	1.8
163.12384	14.9
164.07018	1.9
177.47229	1.5
182.08507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03934	0.3
53.15764	0.3
55.01863	0.6
55.05507	1.1
56.07643	0.2
57.07078	0.4
67.05512	0.6
69.03423	0.7
69.07069	1.4
69.91741	0.8
75.11199	0.3
77.03927	0.4
79.05493	4.4
81.07047	1.1
83.04949	0.3
84.08108	0.2
89.03928	0.4
89.06042	0.3
91.05473	2.2
91.99835	0.2
93.07044	2.9
95.04973	1.5
95.08591	0.6
99.04509	0.3
103.05455	0.3
105.04469	0.3
105.07022	2.1
106.06557	0.9
107.04961	4.9
107.08591	2.6
109.06525	0.5
115.05447	0.3
117.07007	3.2
119.08551	1.3
121.06522	1.8
121.10126	1.0
130.06512	1.4
132.08084	1.9
133.02844	0.3
133.06531	1.4
135.08054	2.5
135.11734	1.2
136.07593	0.3
143.08571	0.4
145.10129	7.0
147.08034	2.0
148.08829	11.1
149.09160	0.2
163.03935	1.5
163.11174	100.0
164.11526	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42371	0.2
68.82977	0.2
69.16594	1.0
69.16999	0.4
79.05498	0.2
79.67512	0.2
80.05028	1.6
82.99839	0.3
91.05493	0.5
93.05799	0.4
93.07043	0.5
100.02485	0.4
101.00884	4.4
105.07025	0.3
106.06576	1.0
107.07338	5.8
108.08121	34.1
109.08444	0.5
119.01919	14.1
119.08558	0.3
120.08093	0.7
121.08881	0.9
122.09673	0.5
123.01602	0.2
124.02441	0.9
131.06958	0.4
133.08453	0.5
134.09644	0.8
136.11217	100.0
137.02956	4.1
137.11572	1.2
142.03500	13.2
146.06076	0.3
150.92014	0.2
160.04573	3.1
164.07048	1.4
164.10712	18.0
164.14365	0.4
165.05125	0.9
179.96269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92267	0.4
69.90780	1.6
70.32706	0.5
82.01421	1.3
82.99832	5.5
100.02484	1.6
100.29843	0.5
101.00881	58.4
102.00960	1.4
105.76141	0.5
111.00449	0.6
119.01919	100.0
120.02036	1.8
120.53712	0.4
122.90808	0.5
124.02451	13.4
137.02950	13.9
137.03966	1.0
142.03499	96.1
143.03636	2.1
160.03242	0.9
160.04564	16.9
165.05038	1.2
166.65915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69026	0.4
53.78641	0.4
70.28975	1.0
82.01436	0.6
82.99837	5.9
94.17503	0.5
100.02472	1.2
101.00874	55.5
102.00974	0.8
119.01911	100.0
120.01994	2.2
124.02443	12.4
137.01889	0.9
137.02950	16.4
138.45654	0.4
142.03490	98.4
143.03549	2.2
159.04956	0.4
160.04541	16.9
161.04597	0.6
165.05080	1.0
172.76877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
53.03951	0.7
55.01873	37.1
61.94254	0.6
65.03947	5.8
67.05507	3.1
70.07030	1.5
70.07352	0.8
77.03933	1.0
79.05488	6.9
81.03421	1.0
81.07058	15.2
82.99850	1.9
91.05478	100.0
92.05820	1.3
93.07056	1.2
95.04972	13.6
101.00883	24.7
103.05441	2.5
105.03378	1.6
105.04517	1.1
108.05730	1.1
109.02873	1.2
109.06525	14.2
113.37387	0.7
118.04161	0.8
119.01923	50.2
119.04939	96.0
120.02010	1.7
120.05302	0.7
121.06506	2.2
123.04436	1.3
124.02455	4.3
131.06085	1.6
137.02965	9.2
137.05975	35.1
138.06294	0.7
142.03499	45.8
143.03583	0.9
146.34407	0.7
147.04402	11.2
160.04565	9.9
165.05466	4.8
165.09033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05428	0.7
55.01874	40.2
65.03941	5.0
67.05503	2.4
70.82361	0.8
79.05490	8.9
79.13891	0.7
81.03403	1.4
81.07058	15.8
82.99857	2.5
88.16004	0.7
91.05479	100.0
92.05822	1.2
93.07024	0.8
95.04411	1.4
95.04972	17.2
101.00884	26.8
101.01549	1.4
103.05473	2.8
103.09924	0.8
105.03387	1.2
107.04952	1.1
108.05788	0.8
109.02924	1.1
109.06522	14.0
113.03237	0.8
119.01923	51.0
119.04942	99.8
120.02019	1.6
120.05268	1.1
121.06511	2.2
123.04469	0.9
124.02451	5.8
131.06015	1.5
135.77388	0.6
137.02982	9.8
137.05980	34.7
142.03500	50.1
147.04405	12.8
147.05478	0.5
149.07950	0.6
160.04562	10.4
165.05452	5.4
180.09157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.1
66.70808	0.2
70.59067	0.4
82.99841	0.2
91.05482	19.3
95.04986	1.2
101.00868	2.1
119.01938	3.3
119.04943	45.0
120.05275	0.6
122.09689	0.9
123.04464	1.1
124.02448	0.4
137.02968	0.4
142.03505	2.8
147.04407	100.0
148.04724	1.7
160.04503	0.6
165.05470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02372	0.3
57.38218	0.2
61.74423	0.2
65.03939	1.2
65.32056	0.2
70.58904	0.3
86.07114	0.2
86.94190	0.2
91.05481	20.7
92.05796	0.3
95.04967	0.9
98.92871	0.2
101.00886	0.5
115.44763	0.2
119.01939	0.8
119.04941	46.0
120.05280	0.6
121.06456	0.2
121.19091	0.2
123.04439	1.3
124.02424	0.2
142.03468	1.0
147.04404	100.0
148.04770	1.5
160.04617	0.2
165.05493	1.6
165.38060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
70.06346	0.5
77.03926	0.2
82.99886	0.3
86.08560	0.2
91.05481	18.4
92.05816	0.3
95.04961	1.3
98.23283	0.2
101.00887	2.8
105.04521	0.2
119.01938	5.0
119.04943	43.4
120.05247	0.4
120.08121	0.3
121.10099	0.2
123.04439	2.3
124.02440	0.7
137.02953	0.7
142.03502	5.2
147.04407	100.0
148.04764	1.5
160.04546	1.1
165.05489	1.3
165.09105	0.2
169.04015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.0
69.68893	0.4
69.69279	0.4
70.91256	0.2
77.03937	0.3
87.66823	0.2
91.05483	18.7
92.05792	0.3
95.04961	1.2
98.23432	0.2
101.00869	0.5
101.74065	0.2
119.01989	1.1
119.04945	41.8
120.05300	0.7
123.04423	1.9
124.02410	0.2
142.03520	1.2
147.04408	100.0
147.76930	0.2
148.04735	1.5
160.04553	0.3
165.05478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.40435	0.1
57.02713	0.1
59.89490	0.1
68.60763	0.1
70.82830	0.3
77.03905	0.2
77.88126	0.1
79.05486	1.1
83.66138	0.1
85.07965	0.1
91.05467	0.7
93.07041	1.8
95.04968	0.3
103.05470	8.1
107.04945	1.8
120.08103	100.0
121.08453	2.0
131.04938	2.5
149.05989	0.7
166.08630	1.8
174.68201	0.2
181.84531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02388	0.1
69.65354	0.2
77.03900	0.2
79.05489	1.1
83.93056	0.1
84.96036	0.5
87.32592	0.1
89.20118	0.1
91.05481	0.6
93.07055	1.9
95.04961	0.2
98.22739	0.2
99.25240	0.1
101.00887	0.4
102.00945	1.0
103.00650	0.3
103.05467	8.9
104.05836	0.1
107.04954	2.3
118.06542	0.2
119.01929	1.2
120.02014	3.4
120.08104	100.0
121.01666	0.7
121.08443	1.3
124.34012	0.1
125.02551	0.3
129.87112	0.1
131.04929	2.4
137.02974	0.3
138.03029	0.8
139.02650	0.2
142.03551	0.5
142.96666	0.1
143.03613	3.0
144.03203	0.7
149.05972	0.8
149.07011	0.1
161.04657	0.8
162.04315	0.1
166.05190	0.2
166.08607	2.0
167.07022	0.2
174.84323	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	167.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05044	0.5
65.44701	0.4
67.05519	1.7
69.03449	0.4
69.07080	0.7
70.06595	18.5
71.42852	0.4
78.04732	1.7
79.05508	1.6
80.05024	0.4
81.03396	0.5
81.07063	0.9
81.52341	0.4
82.94862	0.8
83.04979	0.8
84.96047	2.0
84.99612	0.4
91.05492	0.8
93.07053	1.7
94.06568	5.2
95.04986	1.1
97.06549	0.6
97.77422	0.4
102.02222	0.5
102.97077	0.5
103.00625	5.1
103.01241	0.6
105.07012	0.5
106.04187	0.8
106.96562	0.5
107.04957	0.8
107.06066	0.9
107.08591	2.6
108.04454	1.0
109.06538	1.0
119.06105	0.6
120.01997	0.6
120.08125	1.0
121.01675	16.5
121.06539	0.7
121.07652	1.0
121.08434	8.1
121.10107	1.3
122.06032	70.4
122.97723	0.5
123.04426	3.7
123.06347	0.7
123.08083	0.5
123.97483	0.7
124.05223	0.8
124.07571	0.6
125.05978	0.5
125.07043	0.3
126.02218	0.6
136.43172	0.4
139.02708	5.1
144.03223	11.7
144.04222	0.7
149.02342	1.0
149.06062	0.4
149.07121	1.4
149.09590	0.7
150.09145	100.0
151.03906	0.8
151.09489	1.3
152.04695	1.0
161.96085	0.4
162.04253	4.3
162.95857	1.0
167.07018	14.8
167.08182	1.4
167.10629	1.2
167.11826	3.1
168.13857	0.6
171.95570	0.4
177.32690	0.4
185.97520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
52.42280	0.4
53.03976	0.4
55.05510	4.1
57.03445	2.2
65.03938	0.4
67.05504	8.7
68.05032	0.8
69.07084	0.7
69.91998	1.2
70.06593	100.0
71.06923	0.8
79.05486	4.7
81.07057	25.1
83.04993	1.3
91.05481	23.1
93.07039	2.7
95.04934	1.9
95.08623	1.9
97.06562	0.4
105.07031	3.3
107.08582	2.8
108.04434	0.6
108.08097	0.6
109.06525	5.0
109.10166	1.0
110.91361	0.4
121.10120	0.6
122.09672	2.0
123.11726	3.4
130.25220	0.4
133.10162	2.6
149.56223	0.4
150.12769	3.3
151.11183	7.9
168.13844	46.6
169.14162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03931	2.0
55.01870	8.6
55.05513	12.1
57.03426	6.1
57.07075	21.4
59.04990	5.9
67.05508	36.0
67.05859	2.2
68.05817	1.7
69.03069	2.5
69.03430	43.7
69.07069	19.6
69.32793	1.3
70.06594	2.7
70.56776	2.1
71.01348	1.7
71.04624	2.5
71.04992	29.8
73.06584	2.1
75.01376	1.5
78.45072	1.5
79.05501	12.9
81.03396	2.8
81.07059	66.0
83.04983	16.2
83.08617	7.9
85.02906	7.6
85.06546	92.4
91.05473	4.6
93.07058	9.5
95.04969	15.9
95.08607	22.1
97.06533	9.5
97.10178	6.1
98.02038	1.8
99.04439	5.4
99.08091	3.7
105.07035	9.0
107.04942	1.6
107.08598	19.3
109.06523	93.9
109.10163	60.9
111.08089	19.0
113.06002	17.2
121.10143	25.2
123.08079	16.0
123.11710	77.7
124.11218	2.5
125.09653	7.3
127.03866	2.0
129.97766	1.6
133.10139	7.5
137.07872	1.9
139.11172	23.6
151.07494	4.9
151.08618	3.5
151.11188	37.1
152.03464	2.2
152.07091	2.9
169.07642	5.1
169.09933	4.1
169.12242	100.0
170.12727	1.6
186.19537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.93518	0.9
56.05032	1.0
56.96565	2.2
59.06104	0.3
63.62883	0.4
64.04369	0.3
68.05024	2.6
70.67811	0.6
72.04511	0.5
79.05496	1.0
80.05030	0.6
81.05810	0.7
82.06582	1.3
83.06097	3.9
89.07162	0.4
91.43761	0.4
92.05046	0.5
95.04926	0.4
95.06097	5.1
96.06872	50.0
96.08145	1.5
97.07066	0.7
97.07660	12.2
99.25413	0.4
106.06536	0.8
109.07642	36.1
110.07185	0.9
114.05527	0.7
114.97227	0.4
119.01935	0.5
123.06825	0.5
124.07590	4.1
124.08624	0.7
124.38489	0.4
125.07111	3.1
126.09333	0.8
126.10278	14.4
128.95111	2.5
134.06013	56.1
135.06392	0.9
136.88808	0.4
137.04742	0.4
141.44687	0.4
142.03453	0.4
142.08537	0.4
146.96156	1.1
147.01436	0.6
147.03136	0.4
152.07065	100.0
153.06485	1.2
153.07430	1.7
170.02957	1.0
170.08075	13.0
170.09279	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58696	0.3
56.05021	0.4
56.96561	0.9
61.50793	0.3
63.49465	0.3
64.87747	0.3
68.05019	1.3
70.53729	0.6
74.66190	0.3
79.05494	0.9
80.05035	0.5
82.06583	0.7
83.06100	1.4
85.07645	0.6
95.06091	2.5
96.06866	21.6
96.08151	1.4
97.07648	4.5
98.77575	0.3
106.06551	1.1
109.07635	15.5
110.07166	0.4
111.75620	0.4
115.03944	0.4
123.06828	0.5
123.74177	0.4
124.07586	5.0
124.08492	0.6
125.07121	1.2
126.10274	5.6
134.06006	61.3
135.06364	1.4
147.03072	0.3
152.07057	100.0
153.07542	1.6
153.91309	0.3
170.08086	14.0
170.09288	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	0.7
55.93515	0.5
56.05040	1.6
59.06132	0.7
68.05029	4.7
68.31126	0.5
69.43312	0.6
70.06616	0.6
71.44871	0.5
71.78168	0.5
72.08176	0.7
80.32649	0.6
81.04529	0.6
82.06588	1.7
83.06104	7.2
85.07661	1.2
87.04435	0.8
95.06089	9.3
96.06871	100.0
97.07659	23.9
100.39556	0.5
109.07638	74.1
110.07198	0.9
114.05508	1.3
124.03896	0.6
124.07587	1.5
124.08698	2.0
125.07113	9.7
126.10276	27.6
128.95070	1.7
134.06012	8.5
142.05020	1.3
146.96101	0.8
147.01469	0.7
152.07050	13.4
152.08202	1.0
153.06514	3.5
170.03032	1.0
170.08136	3.0
170.09251	82.0
180.29509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0925
Annotation	3-Methyl-L-histidine
Peak:m/z	Relative Intensity
51.46799	0.4
55.93527	1.0
56.05024	1.3
56.36217	0.5
56.90193	0.6
68.05022	4.0
68.88541	0.5
70.58651	1.0
71.58572	0.5
72.08160	0.9
81.04525	1.1
82.06578	1.8
83.06110	7.3
85.07657	1.3
95.06089	9.7
96.06870	100.0
97.07656	22.8
98.96216	0.6
109.07639	70.9
110.07983	0.8
111.51982	0.7
124.07657	0.6
124.08708	2.1
125.07113	9.6
126.10277	27.2
128.95111	3.1
134.06023	6.7
135.05533	0.9
146.96185	1.2
152.07059	11.2
152.08205	0.9
153.06544	3.5
170.09250	83.1
171.07664	0.8
171.09552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1177
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
55.01869	0.7
55.05525	0.3
57.07077	2.3
69.07037	0.2
70.05724	0.2
70.68805	0.4
70.69170	0.4
72.04507	0.8
72.43481	0.3
86.06075	0.9
86.09706	100.0
87.10048	1.1
109.03371	0.2
116.10741	1.0
128.10718	23.1
142.12247	0.3
170.08160	0.3
170.11763	5.3
180.44763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.70416	0.4
53.03957	0.6
53.26543	0.4
55.01879	1.2
55.05513	4.7
56.96571	0.7
57.70799	0.5
63.72326	0.5
65.03946	20.6
67.05502	1.7
68.99801	6.6
69.03431	1.4
69.07069	1.1
70.94248	0.6
71.01387	0.5
71.05016	0.6
72.04523	6.1
72.08156	1.0
79.01862	0.7
79.05492	0.5
81.03411	2.8
81.07037	0.5
83.04983	10.1
83.08627	1.9
85.06557	0.4
86.09708	3.0
89.07161	5.3
93.03408	7.5
93.07064	0.7
96.02118	0.9
97.02896	1.4
98.97602	0.6
100.07602	0.5
107.08591	0.6
109.02915	0.4
109.06544	0.5
111.04450	73.7
112.04785	0.9
121.02916	1.5
121.03990	9.8
125.07076	0.5
126.09155	1.5
127.03931	0.7
134.99702	0.4
139.03909	100.0
140.04222	1.2
143.11772	1.1
147.96910	0.5
171.06529	7.6
171.09915	0.6
171.14928	3.9
172.23193	0.5
181.46257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	[1S-(1alpha,2beta,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol
Peak:m/z	Relative Intensity
55.05512	21.8
66.13995	1.7
67.05499	6.7
68.06203	1.6
69.07072	7.7
70.78754	1.6
71.04962	1.5
71.08630	42.7
72.04517	100.0
79.05482	3.4
81.07064	11.1
83.08620	26.5
85.06534	3.2
89.07156	78.0
93.07043	4.9
94.98661	1.7
95.08611	6.4
97.06517	5.2
98.06780	1.6
99.08096	33.5
101.06010	5.8
107.08581	5.4
109.10172	7.3
111.08079	6.5
135.11644	2.9
148.42841	1.7
153.12729	3.2
171.13768	82.6
171.14963	62.5
172.14111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
52.68011	0.7
53.03957	0.8
54.48667	0.7
55.01876	11.2
55.05507	14.3
57.03438	56.0
57.07066	1.9
58.13760	0.7
59.04980	0.7
60.23787	0.6
67.05505	35.8
67.05866	1.7
69.07066	47.0
69.41272	3.6
70.06582	0.7
71.04986	5.8
72.04520	6.1
72.08150	2.2
73.06552	3.2
78.52057	0.7
79.05480	2.9
81.07055	13.5
83.04977	4.2
83.08622	22.3
84.04500	0.7
85.06539	3.7
89.07159	5.5
91.05479	1.3
92.55801	0.7
93.07051	4.8
95.08624	3.2
97.06526	9.8
97.10215	0.7
99.08101	0.9
101.06023	1.8
104.82989	0.7
107.08605	5.2
109.10159	100.0
110.10502	1.0
111.08078	9.9
123.11623	0.7
126.51806	0.8
127.11193	27.3
134.16287	0.7
135.11644	4.2
141.12758	1.5
153.12717	7.4
156.09375	3.1
171.11731	2.4
171.13748	2.4
171.15004	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	173.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00508	2.3
55.05510	44.2
57.03415	5.5
57.07079	3.2
58.09274	2.2
59.05002	14.0
67.05504	100.0
69.03370	2.0
71.04993	2.5
71.24077	2.3
72.89405	2.0
72.93784	13.6
73.32037	2.3
79.41947	2.1
81.07053	16.1
82.69792	2.5
83.04980	32.6
83.08616	8.6
85.06548	4.2
86.09710	3.2
87.04463	4.0
89.02378	4.0
90.90394	5.3
90.94819	15.4
91.05491	11.2
95.06078	2.1
95.08614	6.6
97.89771	2.6
100.07574	2.5
101.06010	29.5
105.07014	3.7
107.08590	2.7
108.95857	4.8
109.10157	78.4
109.10891	4.6
111.04434	38.1
111.08082	2.7
113.05989	2.6
117.07034	7.2
119.08592	7.6
127.07578	6.2
129.05457	15.8
130.07774	5.0
131.08569	27.2
137.09624	2.7
143.08511	2.9
145.05255	2.2
145.07655	4.3
145.10121	10.7
149.96068	6.5
155.07021	30.5
155.08183	4.1
158.10863	6.6
167.97198	5.9
173.08131	44.7
173.09544	4.7
173.11737	7.7
173.13261	31.4
174.07602	3.8
174.12781	4.5
186.74600	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03975	0.7
55.05508	5.3
55.25093	0.6
57.07074	1.2
60.04522	0.8
65.03939	0.6
67.05508	2.5
69.07068	0.8
70.70030	1.1
72.93793	1.9
79.05499	2.5
81.07059	3.3
82.32995	0.6
83.04967	4.1
85.34058	0.5
86.09710	0.6
90.94814	1.8
91.05479	19.0
93.07009	2.8
95.04949	0.7
95.08601	0.6
101.06043	3.1
105.07037	11.6
111.04444	4.9
113.27429	0.6
115.05458	3.2
116.06243	3.6
117.07005	7.7
119.08591	10.8
119.66214	0.6
127.07604	0.8
128.06197	0.9
129.05516	1.1
129.06993	12.3
130.07787	9.0
131.08563	100.0
132.08929	1.3
132.95844	0.8
133.10158	1.4
141.07021	0.7
142.07799	0.9
143.08566	22.1
144.09348	7.3
145.10118	25.9
148.73601	0.6
150.57793	0.6
155.07040	3.2
156.09366	1.7
157.10112	1.0
158.10907	22.1
159.11420	0.6
171.11635	1.8
173.08145	5.1
173.13254	75.6
174.13664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05257	1.2
55.05510	20.1
56.57988	0.9
57.07069	2.2
59.05008	4.6
65.03922	0.9
66.41050	0.7
67.05505	5.8
69.07059	1.0
72.93782	9.0
79.05505	2.4
81.07048	5.2
83.04981	19.9
87.04451	2.0
89.02400	1.1
90.90386	1.4
90.94811	11.4
91.05482	14.4
93.07049	1.3
95.08622	1.4
101.06014	14.7
105.07038	10.7
108.95858	2.1
111.04444	24.9
113.06002	2.8
113.96407	1.6
115.05398	1.8
116.06230	2.7
116.98626	1.0
117.07026	8.7
119.08578	10.9
127.07542	2.6
128.06219	2.1
129.05501	8.7
129.06984	10.7
130.07787	6.2
131.08568	86.9
132.08948	1.1
133.10153	2.1
137.06013	1.0
139.99036	1.0
143.08569	18.5
144.09355	7.1
145.06468	1.0
145.10120	27.0
149.94002	2.2
149.96065	3.0
149.97214	1.0
149.98390	1.3
150.96886	2.1
155.05862	1.4
155.07025	17.2
155.97357	1.2
156.09326	1.3
158.07251	1.7
158.10901	26.8
158.14027	0.9
167.97180	3.6
171.11777	1.5
173.05922	1.6
173.08165	25.9
173.09734	2.9
173.13257	100.0
174.13635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	41.2
58.57291	2.6
59.04995	10.1
64.31792	2.5
66.92677	2.5
67.05491	4.5
68.33269	2.3
69.07066	10.9
69.26921	13.7
71.08633	100.0
72.08974	2.8
72.93793	16.9
83.04980	38.9
87.04472	3.3
90.90365	4.5
90.94835	20.8
91.05502	4.1
99.04512	3.9
99.08095	62.8
101.06019	24.6
103.03301	3.7
105.07018	6.7
108.95866	4.1
111.04442	48.2
111.09629	2.3
113.06002	3.4
113.96391	3.1
117.07021	3.5
119.08574	3.3
127.07590	5.7
129.05481	13.0
129.12787	5.1
131.08571	21.3
131.93025	3.5
132.06613	2.7
132.95839	3.6
141.13153	2.5
143.08594	5.0
145.10141	11.8
149.94087	2.9
149.96140	9.6
150.96931	4.8
155.07043	32.2
155.08258	2.5
158.10939	6.9
167.97192	8.5
173.08148	51.7
173.09590	7.9
173.13246	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1278
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
57.07059	1.5
67.63885	0.4
75.76919	0.5
76.87688	0.4
81.07062	0.8
91.05475	1.9
98.98418	0.9
106.06541	2.8
117.05767	3.3
118.06540	12.6
128.07071	0.6
129.06927	0.6
130.06538	3.1
131.07295	3.1
132.06522	1.0
132.08086	31.3
142.07758	1.0
144.08075	9.6
145.08862	8.3
146.09619	2.1
151.93848	0.8
157.10185	0.7
158.09636	6.8
159.10428	10.2
174.05370	1.2
174.07727	2.9
174.12778	100.0
175.13109	1.8
189.45511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.3
57.07075	3.5
61.02927	2.3
69.70695	0.7
73.02917	0.6
86.09707	100.0
87.10037	0.6
89.06032	3.0
98.98474	0.5
101.06029	0.3
117.08149	0.3
128.07053	0.3
132.06563	0.4
132.08069	0.3
132.95851	0.3
146.11746	0.9
174.07690	0.3
174.12862	0.7
174.14900	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	175.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
57.03405	0.6
58.99858	1.2
60.05647	7.5
69.10487	3.3
70.06593	19.9
72.08125	1.0
74.96214	0.7
82.99844	1.4
85.01414	5.2
87.30482	0.5
92.97273	0.7
95.01930	0.5
98.22619	1.0
98.97536	1.2
98.98468	20.4
100.02467	0.8
101.00867	9.6
102.01045	0.5
103.02439	18.0
105.07024	0.7
111.98460	0.5
112.08698	1.1
112.98822	0.5
113.00879	1.0
115.02422	5.9
116.01922	0.8
116.07082	5.5
116.97217	2.9
116.98602	1.1
117.42308	0.5
118.03539	0.5
119.01917	39.6
120.01999	1.4
121.01616	1.0
121.03487	8.0
127.02406	0.7
130.09796	3.0
131.01907	2.0
131.99573	1.1
132.95888	0.5
133.03464	48.1
133.05153	2.8
133.10194	0.5
134.02895	2.5
134.95947	0.6
134.99677	0.9
135.63632	0.5
137.02963	12.4
139.02692	0.7
145.03453	13.5
150.96872	0.7
151.04515	18.4
151.06276	0.9
151.97096	0.8
151.98517	1.1
152.96906	1.1
157.03455	2.9
157.05115	1.0
158.09265	1.9
163.04523	5.5
166.05064	0.6
169.94002	0.5
175.04524	100.0
175.06215	7.2
175.11929	5.4
175.13283	0.7
175.14803	0.8
175.98514	1.2
176.04527	2.0
176.05913	0.9
193.05560	3.8
193.07323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75454	0.4
60.05650	40.2
70.06592	100.0
70.65589	0.6
71.04982	1.3
71.06918	0.8
72.08155	4.4
76.05255	0.4
83.58955	0.5
88.07648	0.5
89.76938	0.4
91.85797	0.5
91.94923	0.5
97.07642	0.7
98.06046	0.9
112.08735	5.0
114.10306	1.0
115.08687	0.7
116.07090	32.5
130.08783	0.6
130.09760	13.2
137.92464	0.5
141.91402	0.6
152.41193	0.5
157.10902	0.9
158.09251	9.2
159.91904	0.5
175.11903	30.3
176.28377	0.5
185.78693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L(+)-Arginine
Peak:m/z	Relative Intensity
55.05510	1.3
56.09506	0.5
60.05648	40.1
60.08224	0.5
60.36811	0.6
70.03225	1.7
70.06592	100.0
71.04992	1.2
72.08156	10.5
77.00423	0.5
81.07063	1.8
84.08122	3.1
88.07602	0.6
95.08595	3.7
97.07681	0.9
97.10175	1.4
98.06038	1.0
112.08723	6.2
113.07144	0.9
114.10320	1.3
115.08727	1.0
116.07091	31.0
123.08073	2.4
130.08769	1.2
130.09761	14.0
132.02116	6.1
140.10698	1.1
141.09073	0.8
157.10854	1.3
158.08058	1.0
158.09258	9.3
158.11784	1.4
174.89594	0.7
175.11905	35.0
176.01082	1.4
176.12665	0.6
184.09053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65770	0.5
59.49818	0.4
60.05650	43.3
61.67120	0.5
70.06593	100.0
70.65765	0.9
71.04992	1.3
71.06920	0.8
71.90228	0.5
72.08163	4.5
83.88342	0.6
112.08739	4.5
114.10277	1.1
115.08658	1.0
116.07089	32.4
130.08762	0.7
130.09766	13.8
141.06544	0.6
157.10837	1.4
158.09247	8.1
168.81082	0.5
175.11909	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	175.1192
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.05516	1.2
55.41494	0.4
56.37906	0.4
60.05651	43.1
64.76299	0.4
67.05535	0.5
70.06593	100.0
70.25947	0.8
71.04996	1.7
71.06925	0.7
72.08160	7.9
72.08527	0.8
77.59566	0.4
81.07053	1.0
82.52468	0.4
84.08141	2.7
94.57557	0.4
95.08616	2.6
96.08117	0.5
97.07662	0.9
97.10184	1.8
98.06055	1.0
98.22802	0.5
98.98480	1.0
101.00900	0.9
112.08728	5.1
113.07138	1.0
114.10313	1.0
115.08714	1.5
115.09511	0.4
116.07097	34.2
117.07445	0.5
118.70363	0.5
119.01917	1.4
123.08131	1.0
130.08691	1.4
130.09755	14.8
132.02136	4.2
133.03481	1.1
137.02893	0.5
140.10713	0.4
141.06587	0.5
157.10849	2.2
158.09244	8.9
158.10457	0.6
158.11751	0.7
175.04562	1.2
175.11913	36.2
175.58792	0.5
176.01128	1.0
176.12512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05515	8.1
60.05632	1.4
63.48838	1.0
67.05494	1.6
69.07069	31.2
70.06605	5.6
71.43489	1.2
72.08148	1.9
79.05493	1.9
81.07047	5.8
83.08625	6.6
86.75605	0.9
87.55462	0.9
91.05484	12.5
93.07040	4.9
95.08607	6.9
97.06551	1.0
98.97581	2.6
98.98469	24.5
105.07034	25.6
107.08598	5.5
116.07113	2.4
116.97221	1.8
116.98595	2.2
117.07009	3.7
119.04935	4.3
119.08585	91.0
120.09347	1.0
121.10146	3.3
129.07007	2.1
131.08534	3.9
133.10132	74.8
134.99730	1.1
145.10094	6.7
146.10910	1.7
147.04391	1.7
147.11688	14.2
152.96982	1.2
157.06419	1.2
157.10155	2.8
160.08867	2.2
160.12451	4.3
173.13196	1.8
175.08792	1.3
175.11136	7.2
175.14822	100.0
175.41286	1.0
175.98450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05505	6.2
56.82523	0.8
57.07066	2.6
62.06084	1.9
62.11874	0.8
67.05496	3.3
68.76981	0.9
69.07071	20.6
71.08630	1.3
79.05470	3.2
81.07052	10.0
83.08603	4.3
87.76585	0.8
91.05029	1.0
91.05489	12.3
93.07048	4.5
95.08594	6.1
96.77014	0.9
98.98464	4.5
105.07027	23.8
107.08596	7.6
115.05451	1.0
117.07012	2.5
119.08582	74.6
121.10127	3.4
125.55614	0.9
131.08554	4.4
133.10129	78.8
134.10587	1.0
139.17151	1.0
145.10146	6.6
146.10947	1.5
147.11681	10.2
157.17807	1.8
160.12476	2.8
173.13310	2.3
174.18552	2.0
175.14821	100.0
175.18877	13.8
176.15225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05650	39.8
61.05348	0.9
61.05993	0.8
69.62744	2.2
70.06592	100.0
71.04996	2.8
71.06315	0.7
71.06921	7.6
71.07274	0.5
72.08158	4.8
76.15465	0.6
81.07092	0.5
84.08136	2.1
88.07652	0.5
95.08616	0.8
97.07674	1.0
98.06065	1.0
98.23465	0.5
112.08727	3.8
114.10286	0.8
115.08714	0.7
115.09496	0.7
116.07098	29.5
117.07425	2.6
125.34224	0.5
130.08789	1.3
130.09766	13.5
131.10139	1.5
132.02113	53.7
157.10822	1.2
158.08075	1.2
158.09261	8.4
159.09689	0.6
175.11914	27.5
176.01105	13.5
176.10458	2.6
176.12257	3.3
189.18553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05650	39.8
61.05348	0.9
61.05993	0.8
69.62744	2.2
70.06592	100.0
71.04996	2.8
71.06315	0.7
71.06921	7.6
71.07274	0.5
72.08158	4.8
76.15465	0.6
81.07092	0.5
84.08136	2.1
88.07652	0.5
95.08616	0.8
97.07674	1.0
98.06065	1.0
98.23465	0.5
112.08727	3.8
114.10286	0.8
115.08714	0.7
115.09496	0.7
116.07098	29.5
117.07425	2.6
125.34224	0.5
130.08789	1.3
130.09766	13.5
131.10139	1.5
132.02113	53.7
157.10822	1.2
158.08075	1.2
158.09261	8.4
159.09689	0.6
175.11914	27.5
176.01105	13.5
176.10458	2.6
176.12257	3.3
189.18553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1282
Annotation	L-2-amino-8-hydroxyoctanoate
Peak:m/z	Relative Intensity
53.03929	0.9
55.05508	25.7
55.81641	1.0
56.05034	1.9
56.96560	3.2
57.03436	1.8
60.05637	4.6
61.05351	1.3
62.74826	1.0
67.05502	9.9
69.07067	4.1
70.06584	9.7
70.96088	1.3
71.04984	2.3
71.06926	9.3
75.92545	0.9
79.05482	4.0
81.03407	1.1
81.07055	37.2
84.04501	1.4
84.08134	3.5
85.02893	1.4
93.07059	2.2
95.08603	100.0
96.08127	15.2
97.10165	45.7
98.06047	1.1
98.97576	27.4
98.98281	1.6
98.98492	1.3
99.08090	4.0
105.07065	1.2
109.18368	0.8
112.11239	6.5
113.09650	2.8
116.07095	1.4
116.97266	5.7
116.98616	15.3
117.07454	2.2
122.09672	3.8
123.08062	40.9
130.09760	1.3
130.12292	1.1
131.10074	1.6
131.99533	1.5
134.99675	3.9
140.10707	27.5
141.09100	21.6
149.03958	0.8
152.96948	1.7
158.11754	33.2
175.98567	3.1
176.02351	1.5
176.04814	1.1
176.06618	1.4
176.10475	1.2
176.12865	15.5
176.16467	1.4
183.27092	1.2
198.72507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64426	0.5
55.05513	9.2
56.05031	1.1
56.96566	9.9
57.03430	3.1
57.07086	1.3
57.93559	1.7
58.06588	3.9
58.22779	0.6
59.04980	0.7
60.04518	0.7
60.05641	1.6
60.07439	0.6
60.95818	0.6
67.05497	7.7
69.07071	1.3
70.06592	14.2
71.05003	5.0
71.06923	3.3
72.04510	1.7
75.94603	1.5
78.60565	0.5
79.05483	2.0
81.07054	28.8
83.08621	2.2
84.08138	1.3
85.06539	3.2
86.09697	0.7
87.04462	1.0
88.03980	3.5
90.05526	0.8
93.95667	0.6
95.08602	5.6
97.10160	1.8
97.99181	0.6
98.06069	1.1
98.09662	0.6
98.87325	0.6
98.97581	100.0
98.98513	2.6
99.08082	1.2
102.05526	3.3
104.07100	1.7
110.97437	0.6
113.07071	0.6
114.05486	0.8
116.03466	7.1
116.07047	1.1
116.97331	13.4
116.98618	83.1
117.07454	0.8
120.08081	1.8
123.08071	0.9
123.11708	5.7
126.05497	1.1
130.06537	2.0
130.08641	0.6
130.09758	0.9
131.99529	2.5
134.95898	2.1
134.99654	55.2
140.00197	1.7
140.10757	0.7
140.14319	4.4
141.09145	0.8
141.12720	1.7
144.06560	5.6
145.02841	1.2
148.07561	1.0
148.09682	1.4
149.02345	1.6
152.96928	6.4
153.00684	6.4
157.97366	0.8
158.01256	4.5
158.08018	0.7
158.15398	48.0
159.15785	0.7
175.98528	6.3
176.02309	5.5
176.07034	2.8
176.10527	1.3
176.12706	0.9
176.16467	5.1
177.00664	2.2
177.06552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.40561	1.4
55.01863	4.4
55.05512	2.7
56.03542	1.3
57.03441	2.3
63.91484	1.5
67.05505	21.5
69.07064	5.8
69.86784	3.1
69.87153	3.0
69.91798	1.4
79.05488	27.8
81.03406	4.5
81.07060	32.6
83.04973	2.7
83.08615	2.6
85.06490	1.6
88.02194	1.7
91.05481	29.3
93.07045	45.7
95.04959	9.1
95.08617	8.1
97.06520	7.5
98.97585	3.3
98.98458	7.5
105.04487	1.4
105.07034	18.9
107.04938	2.8
107.08582	15.9
109.06512	3.7
111.08062	3.2
116.98571	2.2
117.07018	21.5
119.08559	3.8
121.06495	3.2
121.10159	7.3
126.65158	1.4
130.07794	1.7
131.08548	19.8
133.10132	29.5
135.08041	5.8
135.11684	8.5
138.28946	1.4
145.02844	2.2
149.02307	2.7
149.09593	2.9
149.13245	14.9
159.11697	45.9
177.10223	6.7
177.12735	100.0
178.13130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03943	1.3
54.20908	0.9
55.01878	5.5
55.05506	3.9
65.03918	1.0
67.05509	22.6
68.07095	0.9
69.03414	1.0
69.07063	6.2
69.16203	0.9
70.88844	1.7
77.03925	1.7
79.05047	1.3
79.05496	27.6
81.03414	4.6
81.07059	33.8
83.04963	4.3
83.08616	3.8
91.05485	29.2
92.18340	0.9
93.07047	48.9
95.04972	11.2
95.08616	7.1
97.06532	7.7
98.97575	1.3
98.98451	4.1
99.08092	1.5
105.04520	1.1
105.07029	18.1
107.04964	4.2
107.08588	18.0
109.06481	4.4
109.10155	1.1
110.83293	1.0
111.08079	1.8
115.05475	1.6
116.98578	1.3
117.07018	21.0
119.08595	5.3
121.06503	4.0
121.10152	11.2
123.08060	1.1
129.07092	1.0
130.07709	1.2
131.08566	24.8
133.10130	31.1
133.40933	1.0
134.99651	1.3
135.08066	8.8
135.11703	10.5
142.82523	1.0
144.09299	1.7
145.02814	1.9
149.09625	4.6
149.13257	17.3
157.10106	1.0
159.10358	1.9
159.11696	42.8
177.10246	5.5
177.12746	100.0
177.16156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39798	1.2
53.03935	4.1
55.01861	3.5
55.05514	29.0
56.96555	1.8
57.03438	7.6
57.07061	3.9
59.05000	1.3
62.84986	1.2
65.03925	2.5
67.05161	2.0
67.05501	26.1
69.03425	6.9
69.07069	47.7
69.55309	5.4
71.04990	13.2
77.03904	1.6
79.05495	70.0
80.83891	1.1
81.07055	58.4
83.04969	5.2
83.08617	9.5
85.06506	1.9
91.05479	51.9
91.06059	2.7
92.06279	1.3
93.07043	100.0
94.07304	1.5
95.04971	14.8
95.08035	1.4
95.08608	23.0
97.06522	4.2
98.97575	2.4
98.98463	7.5
102.71182	1.1
103.05462	1.5
105.04515	3.7
105.07027	34.3
107.04951	14.3
107.08592	66.7
109.06517	14.0
113.31530	1.2
115.05443	5.3
116.06212	1.4
116.98589	1.7
117.03384	1.2
117.07021	37.5
119.06070	3.8
119.08570	20.7
121.06510	19.0
121.10129	16.4
122.07246	3.8
123.08076	2.3
129.07001	6.3
130.07765	5.2
131.08566	37.8
132.08066	2.0
133.06480	2.3
133.10138	10.2
134.99680	2.0
135.08051	11.3
135.11681	8.5
136.08795	1.1
144.09367	9.4
148.08815	1.9
149.02335	2.5
149.09607	3.3
149.13261	17.2
157.10086	1.5
159.11697	31.5
162.55516	1.1
177.10213	5.4
177.12737	48.2
190.95248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03952	1.9
53.96574	1.4
55.01876	3.1
55.05506	3.2
56.96568	13.4
57.03434	3.5
60.15830	1.2
65.03928	1.4
67.05502	6.1
67.85358	1.3
69.03434	7.4
69.07068	9.2
71.04977	5.3
79.05479	6.0
80.05034	1.4
81.03410	1.8
81.07046	7.4
83.04962	4.5
85.06550	3.5
89.03922	9.9
91.05491	12.5
93.07054	21.1
95.04962	5.8
95.08590	7.7
98.97583	100.0
98.98452	17.4
99.97922	1.9
103.05473	1.6
105.07043	17.5
107.04935	3.2
107.08603	20.3
109.06519	13.8
109.10173	2.5
116.98627	86.3
117.03378	16.5
117.07012	16.5
118.96759	3.7
119.08589	19.0
120.08081	1.5
121.02841	1.9
121.06511	11.1
121.10146	13.9
129.06995	5.4
130.07776	2.8
131.04874	1.4
131.06923	7.4
131.08563	16.2
133.10123	8.6
134.03629	2.4
134.99661	55.7
135.04382	2.1
135.08034	6.5
135.11674	15.4
136.00009	1.9
140.00136	2.6
144.09348	13.6
145.02858	23.8
147.08101	1.7
149.02335	11.6
149.06009	7.9
149.09689	2.1
149.13258	4.8
153.00720	8.6
153.93658	1.6
158.01288	3.1
159.06332	2.5
159.11696	39.1
172.95226	2.8
177.00635	2.3
177.05391	10.7
177.06613	2.5
177.08890	3.0
177.10443	7.5
177.12718	38.1
177.97983	1.7
178.12219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03932	1.6
54.13408	0.9
55.01871	1.8
55.05515	8.5
55.95785	0.9
56.96561	4.8
57.07071	2.0
59.04995	2.3
67.05513	4.2
69.03426	7.7
69.07062	7.9
69.72976	1.6
69.73380	2.9
71.05001	1.8
75.39446	0.9
75.76675	0.9
76.34564	0.9
77.03904	1.1
79.05479	6.0
81.07040	6.6
83.04981	38.8
83.08617	0.9
85.06552	6.3
89.03916	9.2
91.05486	16.2
93.07048	31.2
95.04951	3.7
95.08615	3.5
97.06522	2.8
98.97582	32.4
98.98460	8.3
100.81847	0.8
103.05450	1.4
105.07029	19.1
105.75798	0.9
106.04142	1.1
107.04952	2.7
107.08594	29.2
109.06514	3.4
109.10192	1.0
115.05440	1.1
116.98626	27.2
117.03381	14.9
117.07022	8.9
119.08585	14.9
121.02902	1.5
121.06521	13.6
121.10143	9.6
123.08107	1.6
129.06982	5.5
131.04881	1.1
131.06860	2.4
131.08565	15.8
133.10126	10.2
134.03589	1.6
134.99663	20.0
135.04428	2.4
135.08058	12.5
135.11694	15.0
136.08786	1.9
142.07713	1.2
144.09349	12.0
145.02852	21.4
149.02376	5.7
149.05963	8.1
149.09621	2.7
149.13266	7.2
153.00742	1.1
157.10114	1.4
159.08098	1.8
159.11693	47.5
160.12082	1.3
162.10414	2.4
177.00630	1.6
177.05437	11.6
177.06580	1.1
177.09091	2.6
177.10231	4.2
177.12743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
54.13408	0.9
55.01871	1.8
55.05515	8.5
55.95785	0.9
56.96561	4.8
57.07071	2.0
59.04995	2.3
67.05513	4.2
69.03426	7.7
69.07062	7.9
69.72976	1.6
69.73380	2.9
71.05001	1.8
75.39446	0.9
75.76675	0.9
76.34564	0.9
77.03904	1.1
79.05479	6.0
81.07040	6.6
83.04981	38.8
83.08617	0.9
85.06552	6.3
89.03916	9.2
91.05486	16.2
93.07048	31.2
95.04951	3.7
95.08615	3.5
97.06522	2.8
98.97582	32.4
98.98460	8.3
100.81847	0.8
103.05450	1.4
105.07029	19.1
105.75798	0.9
106.04142	1.1
107.04952	2.7
107.08594	29.2
109.06514	3.4
109.10192	1.0
115.05440	1.1
116.98626	27.2
117.03381	14.9
117.07022	8.9
119.08585	14.9
121.02902	1.5
121.06521	13.6
121.10143	9.6
123.08107	1.6
129.06982	5.5
131.04881	1.1
131.06860	2.4
131.08565	15.8
133.10126	10.2
134.03589	1.6
134.99663	20.0
135.04428	2.4
135.08058	12.5
135.11694	15.0
136.08786	1.9
142.07713	1.2
144.09349	12.0
145.02852	21.4
149.02376	5.7
149.05963	8.1
149.09621	2.7
149.13266	7.2
153.00742	1.1
157.10114	1.4
159.08098	1.8
159.11693	47.5
160.12082	1.3
162.10414	2.4
177.00630	1.6
177.05437	11.6
177.06580	1.1
177.09091	2.6
177.10231	4.2
177.12743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05509	15.8
56.14048	1.0
56.96566	2.9
57.07067	3.0
66.01355	0.9
67.05506	12.6
69.06710	1.8
69.07072	32.9
71.46781	1.1
76.22889	1.1
79.05492	24.4
80.05005	1.1
81.07061	43.1
83.08619	14.6
85.06564	1.0
88.02219	2.5
90.14914	1.1
91.05480	12.3
93.07045	63.1
95.04977	1.5
95.08608	64.1
97.10160	6.4
98.98463	4.3
105.04468	1.1
105.07043	5.8
107.08598	62.7
109.06500	1.2
109.10155	22.0
117.07011	1.9
119.08575	3.5
121.10146	100.0
131.08566	2.6
133.10132	3.2
135.11697	24.3
149.02347	1.4
149.13248	5.4
153.93684	1.4
159.11646	7.9
162.10410	1.2
177.06621	1.4
177.08868	1.3
177.10258	4.2
177.12788	12.5
177.16382	88.4
178.08574	1.5
178.16762	1.2
190.95233	2.6
199.96213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
52.06992	0.2
56.96566	1.4
59.93109	0.4
66.79942	0.3
67.18874	0.2
69.77611	0.2
69.95563	0.8
74.81267	0.2
79.05464	0.4
80.05047	0.3
81.83570	0.3
85.65897	0.3
86.03647	0.2
88.02222	0.8
91.05488	0.6
92.05008	0.4
93.05763	0.5
98.22804	0.3
98.97603	1.0
99.97940	1.1
105.07026	0.5
107.08562	0.4
110.01762	0.2
115.05453	0.4
116.98625	0.6
117.07007	1.2
117.98939	0.7
118.06541	6.0
118.96770	2.1
119.07321	7.1
132.08072	0.8
133.02808	0.4
133.10060	0.3
134.09651	50.1
134.99654	0.6
135.09990	0.7
135.99980	0.3
136.93137	1.1
150.02798	0.2
154.94244	1.4
154.96449	0.7
160.11188	0.7
162.09140	1.4
163.09914	0.8
172.95419	1.8
177.98096	0.8
178.12262	100.0
179.03423	0.4
179.12631	1.4
190.95111	0.5
190.96544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71675	0.4
69.30571	1.6
73.02906	0.5
75.99209	0.3
82.99838	1.2
91.05514	0.6
100.02485	0.9
101.00872	27.2
102.00932	0.7
115.02406	1.1
119.01911	100.0
120.01998	2.1
121.02340	0.4
133.03470	5.0
133.06483	0.5
137.02946	26.4
142.03447	1.1
143.01886	1.2
143.03616	0.5
151.04477	2.0
156.05028	3.6
161.02950	29.3
162.03059	0.6
170.21722	0.4
174.06139	1.0
179.00708	1.4
179.04002	35.7
179.06493	1.1
184.04518	0.5
197.99118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01875	11.0
57.03441	11.4
61.02932	5.9
69.03431	34.0
69.80305	2.1
71.01356	0.8
71.04992	1.7
72.04527	3.0
73.02920	6.5
81.03419	2.3
83.01346	0.7
84.04531	1.6
85.02908	100.0
87.04479	0.6
89.03921	1.7
89.88720	0.6
91.03970	1.4
94.93018	1.1
95.85390	0.6
97.02898	20.6
98.06087	0.9
98.97588	1.6
99.04458	7.3
101.02389	6.2
103.03983	0.8
109.02892	2.6
114.05556	0.8
115.03941	3.8
116.98598	0.7
117.03391	2.7
117.41795	0.6
127.03922	57.0
135.04430	4.8
145.02924	1.9
145.04959	25.9
163.03912	12.5
163.06001	3.4
180.06819	0.6
180.08656	1.5
181.02580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.47701	0.4
58.79224	0.3
63.02372	0.4
69.44284	1.5
77.03920	0.5
79.05502	2.7
88.38680	0.3
89.03920	14.9
91.05460	0.9
98.97570	0.9
107.04949	5.5
111.04443	0.8
116.98628	0.5
117.03381	18.5
119.04948	0.5
135.04416	33.7
139.03891	0.8
145.02846	22.3
146.03140	0.4
151.42651	0.3
163.03903	100.0
164.04254	0.8
181.04951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.70940	0.4
53.13887	0.4
55.16421	0.4
56.96569	2.6
63.92937	0.6
65.03936	0.9
69.03426	0.5
72.50483	0.4
77.03915	0.7
78.95296	0.6
85.02886	0.6
91.05482	33.8
93.07060	0.6
95.04970	14.4
97.02902	0.6
98.97588	6.8
99.97919	2.6
100.78203	0.5
101.00883	1.6
103.05470	1.4
105.04526	0.5
107.04949	1.4
109.06515	1.0
116.98676	2.5
117.98959	0.9
118.06554	1.7
119.01937	1.6
119.04947	40.6
119.97946	1.0
120.05272	0.5
120.98006	0.4
121.06506	1.5
122.94160	0.5
123.04435	49.6
131.01936	0.9
134.99628	0.8
135.99991	0.6
136.07579	100.0
137.05952	0.6
137.07936	0.9
140.98611	0.9
142.03517	1.9
147.04408	18.5
158.99632	0.9
160.04601	2.6
161.04591	0.6
163.96867	1.4
164.04233	0.9
165.05481	33.1
170.05251	0.8
171.16891	0.5
177.00726	0.8
177.02409	0.7
178.05637	0.5
182.08104	4.6
182.11697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49621	9.6
51.41169	7.2
70.12357	17.5
73.89515	6.8
91.05482	16.9
94.92989	10.6
101.00879	11.0
119.04954	12.4
123.03067	8.7
123.04428	16.0
136.07593	37.1
142.03435	9.5
160.04594	9.1
165.05531	16.7
182.05786	100.0
182.94611	69.1
183.06136	25.2
194.77979	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	182.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	11.5
69.80909	34.5
98.23420	12.9
101.00915	15.8
119.01962	14.8
119.04955	21.0
123.04456	33.7
136.07591	40.3
142.03596	12.9
182.05800	100.0
182.94508	63.8
183.06146	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53752	0.2
50.73839	0.2
56.96550	1.1
65.92625	0.3
70.54186	0.4
80.94965	0.4
82.99834	3.9
86.09698	0.8
98.97583	1.0
100.02470	0.4
101.00882	37.9
102.00963	1.4
119.01920	100.0
120.01994	2.4
121.02331	0.4
121.97608	0.5
124.02462	3.0
125.00013	0.5
137.02960	19.1
138.03125	0.3
142.03497	24.1
142.95009	0.3
143.01913	1.2
143.03625	1.4
160.04553	4.2
160.96004	0.5
161.02965	13.3
161.04567	1.9
165.04999	0.3
165.96626	0.7
179.04015	13.7
179.05591	0.7
183.97607	0.6
184.04562	0.4
184.07387	0.7
184.13313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.3
57.03422	0.3
58.06604	0.4
60.08164	4.6
66.68378	0.3
70.65845	0.5
71.07372	2.2
73.02920	0.5
79.53123	0.3
82.99833	2.9
85.02881	0.3
86.09707	22.7
88.87927	0.3
98.98463	3.0
100.86784	0.3
101.00879	35.9
102.00975	1.1
104.10732	1.2
107.06032	0.3
119.01919	100.0
120.02002	3.1
121.02363	0.6
124.02461	3.1
125.00003	18.3
137.02959	23.7
138.03146	0.5
138.12738	0.3
139.03401	0.4
142.03500	25.9
143.00972	0.4
143.01918	1.3
143.03621	2.3
144.02089	0.4
156.03316	0.4
160.04547	5.7
161.02965	13.2
161.04852	2.5
162.04338	0.3
165.05106	0.5
171.12465	0.3
173.02887	0.4
179.02423	0.6
179.04015	12.2
179.05643	0.9
184.04669	0.7
184.07349	29.6
184.13356	0.6
202.05634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	0.6
60.58751	0.4
65.51540	0.3
69.61634	0.9
82.99837	3.1
86.09715	4.0
98.23405	0.6
98.98448	0.6
101.00882	38.0
102.00961	1.3
107.06130	0.3
119.01920	100.0
120.02004	2.8
120.80626	0.4
124.02448	2.2
125.00016	3.0
126.29629	0.3
137.02957	22.2
138.03148	0.5
142.03497	25.7
143.01921	0.6
143.03685	1.7
156.03250	0.4
160.04561	5.6
161.02960	12.9
161.04674	2.2
162.03055	0.4
179.02399	0.6
179.04008	13.5
179.05432	0.6
180.04161	0.4
184.04564	0.3
184.07368	3.3
184.13348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91335	0.6
69.91658	0.4
82.99835	4.8
88.10162	0.3
89.82605	0.3
94.83143	0.3
101.00879	44.5
101.93005	0.3
102.01015	1.0
102.68611	0.3
111.00351	0.4
119.01917	100.0
120.02003	2.9
124.02451	3.3
137.02953	17.3
142.03499	26.2
142.04659	0.5
143.01915	0.7
143.03624	2.1
156.93571	0.3
160.04556	4.9
161.02953	13.8
161.04593	1.9
179.04013	13.3
179.05634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.62502	0.7
56.05032	1.1
58.06578	0.9
60.07869	1.1
60.08163	16.8
63.28843	0.6
71.07372	8.3
86.09706	84.4
98.98465	13.4
101.00887	0.8
101.95041	4.1
101.97204	1.2
102.01022	0.7
102.96873	1.1
104.10144	0.7
104.10752	2.5
119.01920	2.5
119.96057	3.0
120.02022	1.0
120.97894	2.5
125.00002	65.1
137.02867	0.9
137.97084	1.8
138.98949	1.2
142.03429	1.2
143.03606	1.9
160.04604	0.9
161.04651	3.7
162.04265	0.8
179.05675	0.8
184.07346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
60.08164	16.6
66.15298	1.2
71.07363	8.0
71.95263	1.0
86.09708	77.5
97.44058	0.9
98.23486	4.1
98.98465	13.1
101.95040	15.0
101.97232	1.2
102.96866	3.2
104.10750	3.0
111.68553	1.1
119.01897	3.3
119.96056	5.2
120.97836	1.4
123.89358	1.0
125.00005	65.8
137.97133	2.4
142.03484	1.1
161.04802	1.5
184.07344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.53390	0.7
54.46996	0.6
56.05032	1.2
56.21980	0.8
56.30398	0.9
60.08162	14.1
66.89759	0.7
70.74228	1.6
71.07372	7.8
86.09702	79.8
98.98460	13.8
101.95033	4.2
102.00992	0.8
102.96862	1.0
104.10764	4.2
111.89202	0.8
119.01924	1.6
120.97894	1.6
124.99999	64.7
143.03601	0.8
174.55542	0.8
184.07336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	16.6
66.15298	1.2
71.07363	8.0
71.95263	1.0
86.09708	77.5
97.44058	0.9
98.23486	4.1
98.98465	13.1
101.95040	15.0
101.97232	1.2
102.96866	3.2
104.10750	3.0
111.68553	1.1
119.01897	3.3
119.96056	5.2
120.97836	1.4
123.89358	1.0
125.00005	65.8
137.97133	2.4
142.03484	1.1
161.04802	1.5
184.07344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.1
58.06612	1.1
60.08162	16.3
69.72399	0.7
69.72749	1.0
71.07367	8.5
71.64388	0.6
74.86974	0.4
81.63390	0.4
82.99844	1.3
86.09702	83.0
87.10036	0.8
98.98464	12.4
101.00883	19.3
102.01006	0.7
104.10747	4.7
119.01916	76.3
120.01960	2.3
124.02454	1.6
124.99998	66.4
137.02953	22.1
138.03023	0.7
142.03493	19.9
143.01982	0.5
143.03673	1.5
149.07143	0.8
156.02138	0.5
156.05061	0.5
159.16626	0.4
160.04552	4.6
161.02948	8.9
161.04564	1.8
166.12247	0.5
179.04012	10.2
179.05548	0.7
182.12082	0.4
184.07336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.83780	0.5
56.05028	0.9
58.06601	0.6
60.08165	16.4
70.04545	1.3
71.07379	8.4
72.90298	0.4
82.99849	0.4
84.81853	0.5
86.09708	80.7
87.10072	0.5
98.98464	13.1
101.00888	6.8
104.10732	3.5
119.01924	24.5
120.01971	0.9
124.02422	0.6
125.00005	64.8
137.02951	5.8
142.03525	5.7
143.00998	0.8
160.04558	1.3
161.02959	2.1
161.04704	0.9
179.04022	3.6
179.86160	0.5
184.07346	100.0
185.07559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59643	11.0
69.76512	36.3
70.17030	11.3
73.02931	12.4
87.10033	19.9
98.84794	12.0
101.00899	30.7
102.00960	30.4
107.06040	11.4
108.45722	9.9
113.00859	13.8
119.01923	73.4
120.02026	100.0
121.01627	19.5
125.00003	15.9
130.65724	10.2
131.01935	39.3
138.03084	20.4
143.03606	32.3
144.03276	13.7
145.03511	15.6
155.01947	15.8
162.03093	25.9
167.02057	13.5
173.02989	24.3
180.04053	16.7
185.07689	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05041	0.3
69.60448	0.6
70.06592	100.0
71.06934	0.5
71.47332	0.2
81.07029	0.1
84.18408	0.2
98.23472	0.3
121.00776	0.2
161.24254	0.1
163.01901	0.4
168.13838	3.8
172.06828	0.2
172.58989	0.1
181.02939	0.6
186.14883	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	187.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05859	17.4
69.39149	77.4
72.82562	17.5
72.82977	14.7
80.58653	23.3
94.07446	18.4
104.99259	24.6
114.26408	18.4
124.29078	18.3
142.74321	18.9
187.03680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36243	15.6
70.51962	19.1
70.52280	12.6
73.26900	12.8
80.81622	13.1
87.01892	14.0
92.93835	12.6
94.28182	14.3
104.99270	23.1
142.26886	12.7
182.51793	15.2
187.03668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03949	2.1
55.05514	4.8
57.03434	1.3
57.07080	2.0
57.35511	1.0
59.05007	2.0
60.04531	1.0
65.03922	1.2
67.05498	4.8
69.03411	1.1
69.07072	18.2
69.76882	3.2
70.06593	22.4
71.04995	18.7
71.05354	1.6
71.06315	1.4
71.06931	15.3
72.08162	4.6
73.02895	0.9
73.06549	1.2
79.05492	16.1
81.07059	100.0
83.04990	5.7
83.08623	1.7
84.08153	1.3
86.09707	0.9
87.08121	1.0
88.02222	2.6
89.06020	1.3
91.05478	1.5
93.07053	3.9
95.04979	3.5
95.08613	4.3
95.95649	0.9
97.06546	5.3
97.10161	1.4
98.23499	1.3
99.04477	1.4
99.08101	3.6
101.06047	1.1
101.07140	1.1
105.07029	1.6
107.08607	12.3
109.06530	2.3
109.10154	19.6
111.08066	3.6
111.11714	8.4
114.09178	1.3
115.43544	1.0
121.10150	3.8
123.11706	19.5
124.11335	0.9
125.09615	0.9
127.07607	1.4
127.11234	1.2
133.10179	1.6
134.64371	1.0
139.11174	9.1
151.11174	13.1
157.12263	4.1
159.06970	1.4
159.08141	1.5
159.11406	2.1
169.12218	7.1
169.37938	1.1
187.11061	1.2
187.13109	1.0
187.14932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58347	0.3
62.71930	0.3
70.03313	1.0
70.06593	2.0
71.06919	0.8
72.08160	0.5
84.08123	0.8
91.05480	2.9
98.23469	0.3
103.05497	0.3
115.05469	5.0
117.05771	0.7
117.07020	4.2
118.06544	58.9
119.06866	0.7
132.08102	0.6
142.06517	5.4
142.08623	0.3
143.07307	10.5
144.04416	0.7
144.08090	22.3
145.06499	0.5
146.06007	100.0
147.06328	0.9
155.06050	0.9
160.07564	1.2
161.28769	0.3
170.05998	8.1
181.02087	0.3
188.07069	25.9
188.14619	0.3
189.07422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.96561	0.7
68.40883	0.3
69.03420	0.3
70.36422	0.6
82.38602	0.3
91.05479	3.4
95.51360	0.3
97.99156	0.4
113.39559	0.3
115.05455	4.6
117.05730	1.1
117.07007	3.9
118.06538	62.7
119.06943	0.4
128.04980	0.4
132.08072	0.7
142.06519	5.3
143.07301	9.6
144.04430	1.0
144.08084	23.5
145.06474	0.7
146.06001	100.0
146.91833	0.5
147.06334	0.7
155.06033	1.2
160.07607	1.1
170.04526	0.5
170.06007	9.5
188.07066	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	1.4
69.15383	2.8
86.06078	1.3
86.09706	100.0
87.10033	0.5
116.10768	1.0
120.37281	0.4
128.10718	41.0
146.06062	0.4
146.11755	22.2
153.72806	0.4
170.11754	24.3
188.12860	3.2
203.98341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44271	1.4
53.03936	1.4
55.01875	53.5
55.05500	6.5
56.96556	4.6
57.03437	65.6
57.37968	1.3
59.04999	8.7
60.04525	1.7
60.05637	3.2
60.08159	15.6
61.02929	2.7
67.05499	2.9
70.06593	47.2
71.00993	2.8
71.01356	29.8
71.04996	6.6
71.45013	1.4
72.08156	40.4
73.02921	24.4
74.07203	17.9
75.04478	4.7
80.53918	1.4
83.01351	10.0
84.08141	64.3
84.99271	1.5
85.02919	4.4
85.06551	1.4
86.09700	4.9
87.00845	2.0
87.04469	51.3
89.02385	8.6
93.59422	1.5
95.01324	7.5
98.06034	1.6
98.07776	1.5
98.97591	6.1
101.02381	97.5
103.02444	1.9
103.03933	9.7
110.09669	1.9
111.00811	6.4
113.02383	3.8
113.07115	1.7
115.03931	100.0
115.08710	2.9
116.07101	17.5
116.98652	8.5
117.01849	1.9
118.08650	17.9
119.01919	6.7
121.01688	3.9
124.97591	2.0
127.03986	2.1
128.10716	4.3
129.01833	21.6
130.08647	24.4
131.03394	3.5
134.99638	2.1
141.01848	2.2
143.03360	10.4
143.05295	2.0
143.11832	4.9
144.11314	8.0
147.02913	2.0
147.05116	1.5
157.01323	97.1
158.09250	2.2
159.02882	1.6
170.11783	2.6
172.10825	3.0
175.02379	6.0
188.12848	6.2
188.16383	2.2
189.04126	5.8
189.07320	2.0
189.13499	20.3
189.15945	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	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
58.72289	0.3
60.05653	0.5
61.36953	0.4
69.94321	0.9
69.94691	0.7
70.06594	1.3
71.57460	0.4
85.80897	0.4
91.05507	0.5
105.07022	0.6
106.96571	1.1
115.05444	1.1
119.08543	0.4
124.97603	1.7
128.06223	10.9
129.07002	36.8
130.07756	1.0
131.04939	2.8
131.08566	5.4
133.10139	0.6
142.98703	0.8
143.08574	1.2
145.06465	2.6
146.03598	0.6
146.07266	4.6
149.02390	0.5
155.06041	1.7
157.06485	18.3
158.07257	7.6
159.04405	2.8
161.05998	0.9
161.09641	3.2
173.05968	0.4
174.06757	52.1
175.07201	1.1
189.09094	100.0
190.09415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
55.01855	0.9
55.05490	0.6
56.05022	1.1
57.03436	1.2
57.04561	7.1
57.62744	0.6
60.08150	2.5
62.38588	0.6
70.06591	72.8
70.38390	1.5
71.04980	1.4
72.07784	1.1
72.08156	12.5
74.07202	26.2
84.04521	1.0
84.08141	100.0
84.90858	0.6
85.08560	0.6
86.09708	1.4
88.07615	0.7
101.02381	1.5
112.08754	2.3
115.03931	1.3
115.08695	3.7
116.07092	29.2
118.08665	1.4
120.16656	0.5
126.09152	72.6
129.10231	0.8
130.05003	3.0
130.07170	0.6
130.08638	9.9
133.09772	2.2
143.11807	4.8
144.11314	15.2
144.71658	0.6
157.01384	1.1
158.09238	5.3
172.10815	5.3
181.93620	0.6
189.13556	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
56.05032	1.1
56.84128	0.5
56.96546	0.8
57.03441	3.5
57.04559	8.2
60.05647	0.8
60.08159	3.7
62.77061	0.4
67.05544	0.6
70.06593	81.4
70.93948	0.7
71.01338	1.5
71.04993	1.8
71.06934	0.7
72.08154	12.0
73.02920	1.2
74.02443	0.6
74.07202	29.9
74.78017	0.5
83.01334	0.8
84.04489	1.5
84.08143	100.0
85.06475	0.4
85.08468	0.7
87.04474	2.4
88.07623	1.0
88.33810	0.5
95.01288	0.7
97.07687	0.5
101.00874	0.5
101.02380	4.4
103.02437	0.5
111.00845	0.5
112.07578	0.6
112.08762	2.3
113.02319	0.5
113.07130	0.6
115.03929	4.2
115.08675	5.6
116.07088	33.1
116.98576	0.6
118.07952	0.5
118.08640	2.6
119.01945	1.1
119.28422	0.5
126.09152	63.8
127.09512	0.7
129.01833	0.6
130.04997	1.3
130.08635	9.7
133.09749	2.9
143.11807	4.6
144.11324	13.5
144.13837	0.6
145.03476	0.5
147.05016	0.5
157.01340	4.2
158.09258	5.7
171.12407	0.9
172.10789	4.7
189.13551	28.7
189.15881	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	189.1236
Annotation	Ile Gly
Peak:m/z	Relative Intensity
55.05502	0.9
60.08126	0.4
60.94899	0.2
67.15414	0.3
69.07069	0.7
70.06586	0.9
70.13397	0.3
70.13738	0.7
72.08154	8.9
84.08144	1.1
86.09706	100.0
87.10068	0.4
98.97590	0.4
101.00904	0.9
101.02377	0.3
116.07063	0.4
116.98592	0.3
119.01936	1.2
130.08658	0.9
137.02905	0.3
138.62193	0.2
142.44308	0.3
143.01917	0.6
143.08673	0.3
161.02962	0.8
169.98395	0.3
172.13327	0.3
177.02466	0.8
189.12270	2.0
189.16031	0.4
209.18071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
54.47744	0.5
54.73248	0.4
56.96568	1.3
57.31964	0.4
60.08157	1.2
65.63081	0.4
67.05506	0.5
67.75031	0.4
69.07056	0.9
70.06590	4.2
71.07977	0.5
72.08141	0.5
74.07200	0.9
84.08147	5.6
86.09705	100.0
98.97582	1.6
104.47665	0.4
105.07063	0.5
106.96603	0.8
109.10191	0.5
116.07091	1.2
116.98609	1.3
124.97639	0.6
130.08626	2.5
132.10204	42.0
134.99660	1.0
142.98672	0.5
143.11800	22.6
148.97459	0.5
154.71234	0.4
171.96002	0.5
189.10466	0.6
189.12315	1.5
189.13576	1.7
189.16034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05508	3.3
57.07078	0.5
67.05499	2.9
69.03432	6.3
69.07064	2.0
70.06579	0.7
71.44419	0.4
72.08139	0.7
79.05499	2.9
81.03410	0.8
81.07063	3.9
83.04977	1.5
83.08595	0.6
85.09996	0.4
86.09698	1.1
91.05482	5.9
93.07047	3.4
95.04970	2.7
96.35955	0.5
97.32086	0.5
103.05427	0.5
105.07037	15.8
107.04926	0.5
107.08598	4.0
109.06495	1.3
115.05432	0.8
117.07040	2.7
119.04931	1.3
119.08586	31.6
121.06494	1.8
121.10152	2.8
123.08015	0.7
128.06250	1.5
129.07010	2.2
130.07767	0.8
131.07654	0.8
131.08568	9.0
132.05736	0.7
133.06516	2.9
133.10130	13.1
135.08072	3.7
141.07047	2.2
142.07741	0.8
142.49974	0.5
143.08575	5.4
144.09361	0.5
145.06473	2.7
145.10117	5.2
146.07224	0.8
146.10902	1.9
147.08054	17.4
147.11688	17.3
147.12851	0.9
148.12067	0.4
155.08575	0.5
156.09358	15.2
159.08052	10.5
159.11691	2.2
160.08852	4.2
161.09634	8.3
161.13261	20.3
171.11696	18.2
171.13200	0.5
171.39474	0.5
173.09576	0.8
174.10410	24.0
187.11166	0.9
189.12749	100.0
190.13135	0.9
199.06123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	4.4
69.16057	7.3
79.05478	1.4
79.80021	1.5
86.09708	2.3
87.57329	1.2
91.05479	5.1
93.07030	2.3
95.04996	1.8
95.65052	1.2
98.23469	2.2
105.07038	9.8
106.44823	1.3
107.08606	2.1
117.07012	4.5
117.72526	1.5
119.08598	14.2
121.10159	1.6
130.07803	3.0
131.08557	6.1
133.06511	3.0
133.10126	4.0
141.07008	4.9
143.08601	5.0
145.10130	16.5
146.10938	1.5
147.08051	5.0
147.11691	22.3
156.09349	28.1
158.83501	1.4
159.08034	3.3
159.11720	8.8
160.08858	2.4
161.13280	2.9
171.10182	1.7
171.11694	43.6
174.10352	6.4
189.12752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1346
Annotation	L-NMMA
Peak:m/z	Relative Intensity
54.42157	0.2
57.04559	9.8
57.04840	0.6
57.56354	0.2
60.08167	3.6
68.35255	0.3
68.98660	0.3
70.06590	100.0
70.29156	0.5
70.83087	0.2
71.04990	2.4
71.06937	0.4
72.08154	6.1
74.07201	36.3
82.36378	0.3
84.08140	13.5
88.07618	1.5
92.86557	0.3
97.07647	0.8
98.06056	0.4
112.08729	2.7
113.07130	0.5
115.08684	7.9
116.07088	41.4
126.09483	0.3
126.10271	1.9
127.62804	0.3
130.08632	5.7
133.09734	4.4
141.06584	0.5
144.11316	19.3
144.13812	0.5
151.32368	0.3
158.09251	7.1
171.03448	0.3
171.12442	1.2
172.10808	6.7
189.13460	44.4
189.15868	2.7
190.13728	0.4
190.86256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05509	10.3
56.05030	2.4
56.05841	1.6
57.03426	2.1
57.04568	1.4
58.06593	3.7
60.05630	1.5
60.08167	10.2
67.05511	8.7
69.03426	2.5
69.07069	13.7
69.64560	1.6
69.64907	3.5
70.06594	66.7
71.04991	2.1
71.06948	1.4
71.95262	1.1
72.08159	100.0
73.08489	13.2
74.06078	1.7
74.07214	3.8
79.05504	1.4
81.07069	6.7
82.06591	2.4
84.07668	2.2
84.08147	31.4
85.02908	3.0
85.06538	5.1
85.08463	2.1
86.09715	18.7
87.04475	1.7
87.10045	4.2
93.07082	1.6
93.68935	1.2
95.08609	12.4
97.02885	1.4
97.06511	1.6
97.10196	1.5
98.06017	1.7
98.09679	4.6
100.04993	1.3
100.07614	4.0
102.00961	2.4
102.09209	1.9
108.08157	1.8
109.10154	17.2
110.09702	1.3
111.11724	3.2
112.07605	4.2
116.04332	1.8
116.07076	3.2
118.08662	4.2
119.01896	1.7
119.08532	2.1
120.02020	4.2
126.09178	4.1
130.04977	2.4
130.08633	12.7
131.03369	1.4
136.11258	1.4
137.09619	8.3
142.08661	3.4
144.10170	2.1
144.13835	2.2
154.08624	4.9
154.12257	12.0
155.01767	1.4
155.10675	3.0
158.01636	2.9
162.03003	2.2
172.09691	25.1
172.13313	29.4
178.02559	1.6
189.13422	5.4
189.16005	3.5
190.01297	9.1
190.10735	21.1
190.14404	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.96564	0.2
62.59938	0.2
69.17860	0.2
69.76846	0.5
69.77200	0.4
70.06596	3.9
71.76897	0.2
79.58672	0.2
84.08128	0.2
85.83263	0.2
89.03928	0.7
94.18867	0.2
94.56076	0.2
96.08160	0.2
98.22829	0.3
98.97589	0.3
105.07029	0.2
108.58167	0.2
109.10130	0.2
115.33900	0.2
116.04986	2.5
119.08533	0.3
124.06569	0.2
130.08664	0.3
131.08545	0.3
142.08615	0.3
144.04454	1.5
144.08162	0.2
162.05502	100.0
163.05898	0.9
172.05510	0.2
172.09700	0.5
190.04994	43.4
190.10689	1.9
191.05325	0.5
201.91960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99066	1.3
57.06823	1.1
57.07074	16.3
57.70410	0.9
59.99103	2.4
60.50688	0.9
60.87875	0.8
65.10411	0.8
70.06553	0.8
78.00154	30.1
86.09708	7.5
98.06013	0.9
114.17226	0.8
116.05270	1.4
116.10390	1.0
134.05353	2.0
134.06348	37.6
148.07924	3.6
149.02367	3.3
162.05476	1.0
190.12599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65267	1.7
55.05504	9.3
56.96563	8.9
57.03442	2.9
58.06611	5.2
63.88631	2.2
67.05503	34.6
69.03420	6.2
69.06707	4.0
69.07069	54.9
69.76721	5.8
70.06596	27.5
71.04985	5.5
71.06921	5.7
72.04514	3.7
72.93793	6.9
74.07220	2.2
79.05492	5.5
81.07066	7.5
84.04519	4.1
84.08150	5.7
85.06506	2.3
85.08494	2.9
86.06065	7.4
86.09702	9.0
87.10026	14.3
90.94843	4.7
91.05495	4.5
93.07050	8.2
95.08614	45.2
97.02875	1.8
97.06542	4.6
98.06065	3.5
98.09703	3.2
98.97571	9.2
99.04445	2.6
100.99149	2.0
107.20496	1.7
108.08089	2.8
109.10155	100.0
110.09723	1.8
111.11709	11.9
113.06039	3.8
116.07149	4.0
116.98630	4.5
119.08581	11.0
126.12827	2.3
127.11197	2.2
128.98695	1.9
130.05034	2.3
131.00200	3.3
133.10538	5.0
134.99631	3.9
136.11234	7.8
137.09612	35.8
144.12189	4.7
145.11615	2.1
148.97426	2.1
149.01218	9.8
149.02338	5.1
149.96114	4.7
154.12257	46.8
155.10695	17.5
162.05476	11.4
167.97231	3.6
172.06114	2.3
172.07530	2.1
172.09721	2.4
172.11832	3.7
172.13326	76.2
173.07013	4.7
174.05594	2.4
190.08655	4.5
190.14426	28.2
191.14336	2.7
191.97231	3.3
207.15031	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04282	0.5
50.30634	0.6
51.12803	0.6
52.05371	0.6
53.03958	0.8
55.05254	1.0
55.05512	13.1
56.02775	0.5
56.05035	0.7
56.96564	0.5
57.03440	4.3
57.07077	1.3
58.06599	5.3
61.65288	0.6
67.05507	8.3
69.07070	7.5
70.06591	25.6
71.04989	3.9
72.08158	1.5
79.05504	2.1
81.07060	28.5
83.08625	2.1
84.08153	1.5
85.06555	3.1
87.10045	0.6
93.07048	0.8
95.08609	27.6
97.10164	1.6
98.09731	0.9
98.23538	1.2
99.08114	1.0
109.10139	2.8
130.06512	1.4
130.08580	1.0
137.13278	2.6
144.08112	1.5
149.01186	0.9
149.02341	1.0
150.96835	0.6
154.15915	7.0
155.14308	1.7
162.05415	2.7
165.95868	0.5
172.16966	100.0
173.17281	1.0
190.05025	0.8
190.10870	3.4
190.18024	18.1
199.66412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	10476-41-2
Peak:m/z	Relative Intensity
51.59244	0.3
52.49382	0.3
56.32431	0.3
56.96333	0.4
56.96566	4.5
57.07062	0.4
61.01858	0.3
67.05495	0.5
68.35985	0.3
69.03416	0.9
69.07039	0.4
70.67949	0.6
72.93796	1.7
73.74295	0.3
74.09711	2.0
79.05470	0.7
82.44496	0.3
83.04968	0.9
86.09698	0.7
90.94822	2.9
91.05495	1.6
93.07069	0.4
95.08601	0.4
98.97563	1.7
100.99148	0.8
105.07033	0.7
106.06535	2.3
107.08569	1.1
112.99118	0.5
113.96404	0.5
114.94707	0.4
116.04945	0.3
116.98607	0.8
117.05753	0.5
118.06544	3.8
119.00197	0.5
119.08595	0.6
121.06456	0.4
121.10118	0.7
123.08086	0.5
126.30804	0.3
130.23944	0.3
131.00177	2.2
131.97430	1.0
132.04431	0.4
132.95828	1.9
133.10123	1.1
134.06012	12.3
134.83504	0.3
135.08044	1.2
135.11659	0.3
145.07552	0.3
145.10007	0.4
146.06003	18.0
147.11710	0.4
149.01219	7.9
149.09621	0.4
149.94016	0.6
149.96101	3.4
149.98476	0.7
150.96887	3.3
155.06024	1.5
156.04388	0.7
156.06827	0.5
158.10909	0.4
160.03931	0.5
162.05495	100.0
163.05853	1.1
163.08641	0.5
166.98900	0.4
167.02267	2.5
167.97162	2.8
172.06297	1.2
172.97723	0.7
173.07106	18.8
173.13342	1.0
174.05508	23.5
190.98726	1.2
191.02246	0.8
191.08150	14.6
191.11815	2.2
191.14343	3.7
191.97151	1.0
208.99840	0.5
209.98189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	0.8
55.01870	1.9
55.05505	3.3
56.96558	2.0
57.03434	0.9
57.07074	1.4
59.05005	3.5
59.05239	0.6
67.05501	5.2
69.03419	1.6
69.07069	27.4
69.21635	1.6
69.22021	1.3
71.04986	2.7
79.05493	13.0
81.07056	21.7
83.04977	2.2
83.08614	2.8
85.06531	2.2
91.05475	10.7
93.07043	26.6
95.04970	8.1
95.08598	11.6
97.06522	2.5
103.05474	1.9
105.04499	1.6
105.07034	14.6
107.04944	2.2
107.08595	30.4
108.08894	0.9
109.06511	6.8
109.10147	5.6
111.08069	0.8
115.05450	0.7
117.07022	4.8
119.08596	6.7
121.06509	6.4
121.10145	29.8
123.08073	5.0
123.11707	14.8
129.07011	1.3
130.07779	0.9
131.00230	0.6
131.04958	1.0
131.08565	15.7
133.06506	0.7
133.10121	11.9
135.08046	13.5
135.11732	4.6
143.08577	1.7
144.09390	0.8
145.10143	8.3
147.11667	6.6
149.01195	3.0
149.09598	2.1
149.13248	2.1
149.98444	0.7
158.10909	1.9
161.09683	0.9
161.13300	1.1
163.07541	1.0
163.11227	1.5
163.14816	6.8
167.02260	1.2
173.09546	1.7
173.13263	10.4
191.06866	1.2
191.10614	2.6
191.14304	100.0
192.14665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05500	7.0
56.96567	3.3
57.07067	7.0
59.04977	2.4
67.05511	7.3
69.03431	7.9
69.07059	15.7
69.88468	5.0
70.06580	4.4
71.04980	1.6
77.03890	1.6
79.05495	31.3
81.07052	17.1
83.04967	5.5
85.06544	3.0
90.94796	1.4
91.05480	26.7
93.07041	30.6
94.14451	1.5
95.04966	5.7
95.08601	12.3
97.06518	5.1
98.22778	1.9
98.97588	1.9
103.05461	2.6
105.04546	2.0
105.07028	46.0
107.04245	2.9
107.04951	40.0
107.08588	52.1
109.06512	5.0
109.10150	6.1
111.08090	2.6
115.05436	2.8
115.89700	1.5
116.06246	2.6
117.07013	15.0
119.08591	43.2
120.08128	2.7
121.06505	7.2
121.10139	21.7
123.08070	5.4
129.07013	9.0
130.07787	4.1
131.08566	100.0
133.10136	27.5
135.08028	12.0
135.11699	8.9
143.08553	17.3
144.09344	4.4
145.06424	1.7
145.10123	45.1
147.08119	1.9
147.11681	25.3
149.01221	4.6
149.09595	6.2
149.13246	11.3
149.96094	2.3
155.04930	1.8
158.10907	24.3
161.13260	23.3
163.14810	16.2
173.05911	8.0
173.13258	98.8
191.06967	2.6
191.08884	2.2
191.10565	23.7
191.14305	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	1.3
55.01881	1.7
55.05305	0.9
55.05518	11.4
56.96563	3.0
57.03434	1.7
57.07081	1.8
59.04994	2.0
67.05503	7.1
69.03432	16.6
69.07072	12.0
69.64114	3.9
69.64468	1.2
71.04993	2.7
72.08168	1.1
77.03915	1.4
79.05495	15.5
81.07056	26.9
83.04987	9.4
83.08628	3.8
85.06537	4.2
89.50879	1.2
91.05484	27.5
93.07045	21.3
95.04958	5.6
95.08605	12.2
96.75669	1.1
96.77883	1.1
97.06538	8.7
99.08101	1.4
103.05450	2.1
105.04530	1.1
105.07032	60.4
107.04974	1.8
107.08596	71.3
109.06528	9.5
109.10155	4.6
111.08087	3.4
112.99150	1.0
116.06239	2.2
117.07025	9.8
119.06049	2.3
119.08582	54.4
120.08106	3.3
121.06498	7.7
121.10152	31.8
123.08081	7.6
123.11695	1.3
129.07019	4.2
130.07806	1.4
131.08575	37.9
132.09340	2.5
133.10135	83.7
135.08066	17.2
135.11665	6.7
136.29463	1.0
137.09593	1.9
143.08554	6.0
144.09363	2.7
145.10127	23.4
147.11690	34.6
149.01237	3.0
149.09615	12.7
149.13254	20.5
158.10945	11.0
161.09642	2.3
163.11176	3.2
163.14851	10.9
167.97166	1.1
173.09662	1.4
173.13264	49.0
174.13617	1.3
176.11942	1.2
191.11812	3.1
191.14317	100.0
192.14726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
56.96564	1.0
57.07070	4.2
59.04981	2.0
67.05511	5.7
69.03403	4.5
69.07061	8.0
71.04991	2.1
71.07795	1.7
79.05492	13.9
81.07066	10.2
83.04955	3.3
83.08622	2.8
85.06518	1.5
88.12011	1.1
91.05474	24.9
93.07043	25.8
95.04951	2.3
95.08605	10.4
97.06510	2.7
97.76609	1.0
103.05461	3.3
105.07025	34.9
107.08592	46.3
109.06491	3.1
109.10134	3.2
115.05480	2.2
116.06213	3.3
117.07026	9.8
119.06056	1.4
119.08574	28.8
121.06489	3.5
121.10138	22.3
121.10981	1.5
123.08044	3.9
129.06990	8.8
130.07777	2.7
131.08563	97.8
133.10124	41.4
135.08073	10.1
135.11674	3.6
143.08551	15.5
144.09306	5.5
145.10114	35.4
147.11684	16.3
149.01158	1.3
149.09567	5.1
149.13260	12.7
156.09364	2.5
158.10902	25.0
161.09615	1.8
161.13239	9.0
163.07593	1.6
163.14810	6.6
171.11609	2.3
173.13255	100.0
174.13663	1.8
176.17996	1.0
191.14302	74.8
192.14563	1.8
192.65997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1384
Annotation	DEET
Peak:m/z	Relative Intensity
55.98522	0.5
63.10260	0.5
65.03936	0.6
70.36888	1.1
70.82123	0.6
72.04514	6.2
74.05945	0.6
82.20110	0.6
89.55998	0.6
91.05470	6.4
94.58469	0.6
96.95787	0.6
100.07628	6.1
103.22744	0.7
109.05834	0.9
109.06525	7.9
119.04942	100.0
119.05988	3.6
120.05280	1.2
130.62518	0.7
138.03432	1.1
139.01906	0.7
186.95224	1.0
192.06616	0.7
192.10143	2.5
192.13823	57.1
193.14290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05514	20.5
57.07076	7.0
58.88113	1.1
59.04980	3.3
61.81875	1.1
65.03947	1.5
67.05167	1.3
67.05509	25.4
69.03436	13.4
69.07070	23.4
70.72362	1.9
71.04972	4.9
77.03923	1.5
79.05495	9.8
81.07058	34.1
81.86730	1.2
83.04983	31.1
83.08627	12.4
85.06564	6.1
85.10128	1.4
87.45316	1.2
90.96381	1.2
91.05478	9.7
93.07049	25.6
95.04965	4.5
95.08606	63.6
97.06518	3.8
97.10183	2.9
99.08060	3.5
105.07034	22.4
107.08594	56.1
109.06518	19.0
109.10157	88.2
110.87246	1.2
111.08102	10.7
115.05398	1.6
117.06972	1.5
119.08582	69.8
121.10150	35.4
122.07241	1.2
123.08068	37.9
123.11705	10.6
125.09642	3.1
133.06546	3.0
133.10129	49.3
135.11696	100.0
137.09612	33.5
138.10379	5.6
141.11771	1.3
145.10109	2.5
147.11705	7.5
149.13260	20.9
151.11215	13.6
151.14825	10.6
161.06012	2.7
165.16394	5.4
172.45000	1.5
173.30684	1.5
175.14821	52.3
192.83751	1.2
193.15880	99.6
211.64059	1.2
212.71082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70966	13.2
71.46884	8.4
73.02924	16.2
84.08148	39.1
85.02912	13.8
89.99788	9.4
94.93018	100.0
108.47555	9.0
110.56407	9.4
136.94054	18.9
160.28612	8.9
194.94542	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
62.65485	0.4
63.02385	0.7
67.05505	0.3
70.99523	0.7
77.03937	0.4
78.04729	1.0
79.05495	0.7
89.03918	16.3
91.05482	1.3
93.03428	0.4
95.04951	0.7
103.05482	1.2
105.03405	0.5
106.04153	2.0
117.03381	43.1
118.03711	0.6
121.06504	0.8
125.60034	0.3
134.03635	6.5
134.04553	0.5
135.04433	3.8
145.02850	78.5
146.03172	0.6
149.05977	18.8
153.05478	0.5
162.03210	1.9
163.03893	7.8
174.80911	0.4
177.05472	100.0
178.05792	1.1
186.05542	0.6
194.77547	0.4
195.06474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05510	0.5
63.02393	0.4
65.03944	0.9
67.05513	0.3
69.07085	0.4
70.06588	0.4
71.00597	0.4
75.74094	0.3
76.48013	0.3
78.04733	0.9
79.05488	1.4
81.07072	0.8
82.06580	0.3
82.96636	0.3
84.08134	0.5
89.03924	18.4
89.06017	0.5
91.05486	2.4
93.03410	0.7
93.07059	0.9
95.04981	1.1
95.08629	0.5
103.05481	0.9
106.04182	1.6
107.04983	0.7
107.08587	0.5
109.06522	0.7
111.04464	0.8
117.03386	39.4
118.03675	0.4
119.04969	0.6
119.08603	0.4
121.06519	1.0
124.05280	0.4
125.05989	1.4
130.96341	0.4
134.03639	5.8
135.04422	4.2
135.08058	0.3
135.11725	0.4
139.07602	0.4
145.02853	73.4
146.03226	0.6
148.97375	0.4
149.05988	17.2
149.09569	0.6
151.07535	0.5
153.05496	2.8
153.97876	0.4
156.57033	0.3
159.11742	0.4
162.03111	1.7
162.16481	0.3
163.03922	7.6
163.07501	0.3
167.05818	0.9
171.98988	0.4
177.05478	100.0
178.05792	0.9
178.12288	0.8
186.05527	0.8
194.15468	1.0
195.06462	1.4
195.08543	0.5
195.10161	0.4
195.13789	0.4
196.09720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	2.1
55.01875	3.6
55.05513	20.0
57.03442	5.9
57.07080	2.1
61.06697	0.5
65.03936	2.0
66.23632	0.5
67.05506	71.3
69.03433	1.7
69.07068	19.9
70.55245	0.5
70.55574	0.7
71.01361	2.0
71.04995	6.1
71.08647	0.6
73.02948	0.9
73.09427	0.5
77.03935	2.0
79.05495	42.8
80.05859	0.6
81.03423	11.9
81.07057	100.0
83.04984	10.8
83.08617	13.8
83.09100	0.9
85.06546	4.7
91.05044	0.6
91.05482	38.6
93.07046	60.6
95.04977	7.1
95.08607	30.2
97.06530	10.5
97.07121	0.9
97.10175	1.5
99.04500	0.7
99.08086	1.7
103.05467	0.6
105.04519	1.0
105.07032	13.5
107.04971	1.8
107.08597	28.5
109.06526	3.1
109.10181	2.9
110.69404	0.5
111.08086	4.4
113.06008	0.6
113.09647	0.8
115.05474	1.2
117.07023	13.6
119.06071	0.6
119.08595	2.4
121.06528	4.6
121.10135	10.8
123.08047	0.9
123.11697	4.0
125.09599	0.6
130.96300	0.7
131.08572	14.0
131.09558	0.7
133.10126	25.2
135.08031	4.0
135.11694	24.1
137.09651	0.5
139.07530	1.0
144.09373	1.1
147.11681	0.7
149.09612	1.4
149.13258	19.8
151.11212	4.0
159.11694	16.8
171.84229	0.6
177.12752	10.1
195.13814	19.1
195.15521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02374	0.8
53.03946	3.4
55.01870	3.0
55.05513	19.0
57.03432	5.0
57.07067	2.7
60.36539	0.7
65.03970	1.6
67.05504	70.3
68.96329	1.5
69.03436	1.4
69.07069	22.4
69.89290	2.2
71.01347	1.8
71.05000	6.3
71.08598	0.8
71.95238	1.1
73.02897	1.0
77.03922	1.7
79.05493	44.1
81.03412	13.8
81.07056	100.0
83.04984	11.6
83.08618	14.7
85.02901	0.9
85.06547	4.3
86.49305	0.7
89.06005	3.4
91.05479	38.2
92.05830	1.1
93.07043	60.8
95.04971	8.7
95.08607	32.3
97.06528	11.5
97.10175	1.5
98.22810	1.2
99.08109	1.8
100.02488	3.1
101.66544	0.9
105.04517	2.3
105.07031	10.9
107.04964	2.2
107.08590	28.4
109.06532	4.2
109.10146	4.9
109.98963	1.1
111.08068	5.8
113.06035	1.2
117.07014	12.3
118.03477	1.5
119.06097	0.8
119.08610	3.2
121.06492	6.4
121.10149	11.5
123.08080	0.9
123.11732	2.8
130.72009	0.7
130.96309	1.6
131.00151	1.4
131.08569	12.6
131.96144	1.0
132.29257	0.8
133.10126	24.8
135.08061	3.5
135.11694	27.9
147.11684	0.7
148.97394	1.9
149.01187	0.8
149.09616	2.5
149.13257	19.6
149.97289	1.2
151.11180	3.3
153.09137	1.0
153.97908	1.5
159.11691	14.7
163.03914	1.7
171.98990	1.5
177.12733	8.5
195.00424	0.8
195.13838	17.6
195.15765	3.7
198.67252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	4.2
55.01879	4.3
55.05509	25.6
55.41601	1.7
55.71025	1.6
57.03429	7.1
65.03922	2.0
67.05508	75.0
68.96347	3.1
69.03438	2.0
69.07061	19.0
71.04996	6.5
71.95263	7.2
77.03922	2.9
79.05495	50.1
81.03422	41.3
81.07059	100.0
83.04974	21.7
83.08615	13.8
85.06551	4.0
86.00773	2.2
89.06027	8.5
91.05480	34.5
93.07047	66.1
95.04980	14.3
95.08603	32.1
97.06523	17.3
100.02486	6.2
105.07060	11.9
107.04991	4.3
107.08598	29.6
109.06509	3.1
109.10162	4.6
109.98956	3.3
111.08091	7.1
112.97908	2.7
117.07010	14.6
118.03559	3.9
119.08604	5.2
120.88309	1.9
121.06499	14.5
121.10144	16.2
123.08141	3.2
130.96320	4.6
130.98901	2.4
131.08556	16.8
131.96124	2.9
133.10135	26.2
135.08087	7.6
135.11690	30.0
148.97400	7.7
149.01244	3.2
149.09625	2.4
149.13232	21.1
149.97189	3.1
151.11301	2.1
153.97974	4.8
159.11708	18.4
163.03912	3.1
165.44864	2.2
171.98972	6.1
177.12749	11.7
181.19594	1.9
195.11389	3.3
195.11917	3.5
195.13823	25.8
195.15735	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	197.1174
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	7.4
55.05509	3.1
57.07068	1.5
61.68149	0.4
67.05502	1.2
69.03422	0.9
69.07064	1.8
70.95864	4.8
71.05013	0.6
72.93788	1.9
79.05493	5.2
81.07057	26.1
83.04966	0.8
83.08618	1.4
88.96910	0.7
91.05478	2.8
93.07047	2.9
95.04984	1.4
95.08609	1.6
97.06509	1.1
99.04461	0.6
105.07034	4.2
107.08588	5.0
109.06522	12.9
109.10149	1.3
111.04439	5.5
111.98477	5.4
113.06071	0.4
119.08569	0.9
121.06483	0.5
123.04451	0.6
123.11708	0.7
125.06001	7.3
127.03916	2.7
128.06236	0.6
129.99501	2.0
132.95836	10.1
133.10124	7.4
134.81975	0.5
135.11664	2.8
137.05978	100.0
137.09601	1.6
138.06317	0.9
143.08562	2.0
146.07214	0.5
150.88338	0.5
150.96890	10.3
151.07539	0.6
151.11172	1.5
155.97415	6.8
161.09634	6.0
173.98491	10.4
179.10663	11.0
197.11726	7.9
198.16689	0.9
198.18533	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.46174	0.7
55.01870	1.4
55.05508	3.1
57.03406	1.0
57.07066	1.9
59.05009	4.0
60.20607	0.8
67.05505	4.3
69.03419	1.0
69.07056	2.6
70.51454	1.5
70.95856	2.6
71.04999	1.1
72.93790	1.7
74.27680	0.8
79.05478	5.3
81.07060	6.8
83.04982	1.6
83.08623	0.9
83.73963	0.8
85.06525	0.9
91.05489	17.5
93.07050	21.6
95.04964	8.9
95.08595	2.8
95.20075	0.9
97.06519	0.9
97.10163	1.1
105.07030	26.6
107.08595	64.8
107.88634	0.8
108.08878	1.1
109.06539	5.7
109.10147	6.1
111.08069	1.5
111.98460	3.1
119.04961	1.5
119.06087	1.6
119.08580	8.4
120.09328	1.1
121.06521	6.4
121.10131	1.0
123.04395	3.4
123.08081	1.0
123.11698	3.1
123.43034	0.8
127.03826	0.7
129.99519	1.4
131.08556	2.9
132.95850	7.1
133.10135	64.1
135.08081	1.8
135.11697	51.7
137.06020	3.7
137.06918	0.8
137.09618	5.0
143.08575	1.4
146.07268	1.0
150.96919	5.9
151.11174	5.7
155.97432	4.2
161.09618	35.1
162.09857	0.8
173.98503	4.8
178.32350	0.8
179.10674	100.0
180.10939	1.1
197.11732	85.7
198.12083	1.4
198.18535	22.3
205.89305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
54.14249	0.4
55.01877	1.9
55.05508	1.9
57.07067	0.8
61.02925	1.8
65.31207	0.4
65.88561	0.4
67.05507	2.4
69.03434	1.4
69.07074	1.2
70.95876	3.6
71.05009	0.7
71.44016	0.4
72.93784	1.3
73.02914	0.8
76.52029	0.4
77.03938	0.5
79.05492	6.0
81.07047	7.0
83.04968	0.6
83.08622	0.8
85.02904	0.5
91.05472	9.8
93.07043	17.1
95.04959	2.3
95.08602	5.4
97.06519	1.6
105.07031	24.4
107.08591	100.0
108.08894	0.7
109.06547	3.4
109.10146	4.7
111.98483	4.0
115.05423	1.0
117.07007	1.0
117.89938	0.4
119.04955	1.8
119.06078	0.9
119.08581	16.5
121.06528	2.4
121.10143	16.2
123.04385	0.7
123.08065	1.8
123.11713	3.1
125.06022	0.8
125.09647	1.2
128.06203	0.6
129.99501	2.3
131.08540	3.1
132.05717	0.6
132.95840	8.2
133.06471	1.1
133.10124	58.0
134.10434	0.6
135.11752	2.4
137.05984	7.1
137.09624	2.8
139.07553	3.9
143.08545	2.7
146.07237	0.9
149.09619	10.2
150.96884	9.7
151.07559	2.8
151.11179	20.3
153.96115	0.4
155.97438	6.7
161.09607	16.0
162.36829	0.5
167.10674	34.8
168.11066	0.7
173.98494	7.4
179.10664	46.0
180.06540	0.5
197.11719	73.0
198.12202	0.5
198.18521	17.0
208.95444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
55.05522	4.2
56.96560	2.6
57.03431	4.8
57.07071	3.3
60.08151	2.7
61.02926	2.3
67.05486	0.7
67.58296	0.7
69.03426	11.9
69.07064	4.2
70.06580	2.6
70.66870	1.2
71.05003	1.4
71.08634	1.0
72.08144	0.8
73.02906	2.4
75.12268	0.7
75.12711	0.6
79.05473	1.0
81.03410	2.3
81.07054	1.2
83.08181	0.9
83.08619	4.9
83.09074	0.7
83.09236	0.6
85.02905	64.8
86.06079	0.8
86.09663	0.9
88.30283	0.8
91.03982	1.4
95.06095	10.3
97.02898	9.6
97.06517	0.8
97.10147	1.9
99.04459	4.5
100.02477	1.5
101.02387	1.5
109.02888	1.7
110.97578	1.1
114.09124	1.3
115.03928	1.5
116.00079	0.8
118.03505	1.0
127.03914	27.5
128.91718	0.7
128.98669	1.6
131.01927	0.9
145.04961	26.8
147.01443	0.9
152.07091	1.1
154.13380	3.2
156.98166	0.8
163.06036	8.1
170.03021	1.4
174.99199	6.1
175.02678	1.1
180.08687	2.2
181.02538	1.9
193.00182	5.3
198.05370	3.2
198.07559	1.1
198.14851	4.2
198.18535	100.0
199.18904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
55.05502	5.2
57.03425	5.0
57.07075	2.9
61.02925	3.7
61.61463	1.6
61.64803	1.6
69.03427	15.7
69.07061	5.6
70.28408	1.9
70.93667	3.2
73.02922	4.7
83.08600	3.8
85.02908	80.5
85.03419	4.2
87.59988	1.8
93.07072	2.1
95.06084	5.5
97.02891	9.5
97.10147	2.6
99.04453	6.8
101.02352	2.1
106.27779	1.8
116.55961	1.9
127.03923	34.0
145.04967	37.2
163.06012	11.1
179.82268	1.8
180.08647	3.5
189.04152	1.7
198.18538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05499	2.9
57.07068	1.1
59.93106	1.2
63.95960	0.5
67.05503	4.6
69.07066	3.2
69.14645	0.6
71.46616	0.6
75.73837	0.5
79.05478	4.7
81.07056	24.1
90.38318	0.5
91.05475	6.7
93.07042	10.2
95.04944	0.7
95.08610	13.3
98.97554	1.3
105.07031	18.7
107.08592	14.6
109.10185	4.4
116.98602	1.3
117.07020	8.6
118.96754	8.8
119.08580	18.0
121.10138	7.4
128.06163	0.7
129.07016	2.2
130.07779	2.6
131.08568	20.4
132.49515	0.5
133.10123	6.1
133.99092	2.0
136.95389	1.0
143.08601	2.3
144.09338	5.5
145.10123	49.9
146.10919	4.1
147.11673	1.0
154.96472	3.4
157.10124	3.0
158.10896	1.6
159.11693	67.8
159.96982	1.0
160.04626	0.8
160.12297	0.7
164.65051	0.6
171.11699	1.6
172.12428	1.3
173.13258	14.8
177.98045	8.1
186.14026	2.0
199.14917	0.7
201.16380	100.0
202.16711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24263	0.5
53.17425	0.5
60.45117	0.5
67.31277	0.4
70.06576	0.4
74.94234	0.4
82.01434	1.3
82.99850	2.1
87.44379	0.4
88.85076	0.4
95.06515	0.4
98.97614	0.4
100.02483	4.0
101.00877	30.1
102.01006	0.5
118.03515	2.4
119.01918	100.0
120.01988	1.4
124.02448	3.3
136.04585	0.6
137.02957	28.1
142.03499	41.3
143.01932	0.9
143.03584	1.1
150.79399	0.4
160.04561	24.4
161.02959	24.7
161.04529	1.7
162.03033	0.5
178.00911	0.8
178.05618	5.7
179.04012	39.5
179.98152	1.0
183.06171	0.6
184.04556	2.0
197.99164	2.8
202.05618	1.4
202.09006	0.5
206.32010	0.6
220.02063	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	202.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00644	0.7
53.03938	1.8
55.05507	6.7
56.05038	16.1
57.98794	0.6
58.99588	27.3
68.05030	1.7
69.07054	0.8
70.06596	4.0
70.94598	0.8
72.08171	0.7
74.00669	0.9
76.02228	8.9
79.05495	30.3
80.05042	1.5
81.07059	20.7
81.23221	0.8
82.06583	8.7
84.08150	1.1
85.01133	100.0
86.00661	13.6
86.99057	14.5
87.02692	1.2
87.10020	0.8
88.02237	3.3
88.04002	2.5
93.07044	0.9
94.06572	1.4
95.04976	2.4
96.08144	3.0
97.01123	1.2
97.08918	7.4
98.09697	29.4
100.02215	1.0
105.00089	9.1
105.07011	1.2
107.08618	0.9
110.09676	1.5
113.00945	0.6
113.04234	51.7
115.05790	0.6
119.01991	0.9
119.84711	0.6
120.01153	1.7
122.09666	2.0
128.54369	0.6
131.01619	0.8
132.01154	14.7
134.02705	0.7
139.05780	0.9
142.08603	1.1
156.08447	7.9
160.07533	3.6
164.99774	0.7
184.17000	2.1
185.06339	6.9
202.08977	18.8
202.10620	0.8
202.12367	1.3
202.14337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
55.05499	0.6
56.96556	0.5
57.03434	3.6
57.07063	0.5
58.06598	0.9
59.04982	1.4
59.05255	0.3
61.77131	0.4
62.06094	3.7
65.03345	0.4
67.05499	1.6
69.07078	0.9
70.06238	0.5
70.06586	6.4
71.04985	0.5
71.44846	0.5
72.08155	0.6
79.05474	1.4
81.07056	6.2
82.01434	0.4
82.06583	3.5
84.04501	0.6
84.08115	1.3
85.06532	1.9
86.09690	0.4
88.19117	0.4
91.05397	0.4
92.52937	0.3
93.07053	2.2
95.01331	0.4
95.08607	0.7
96.08128	1.8
97.06516	1.3
97.82681	0.4
98.06052	1.1
98.09707	0.8
98.97570	1.5
100.02480	0.7
100.97187	0.4
101.00874	8.1
102.09174	8.9
107.08594	1.8
109.06500	2.1
110.09683	3.4
111.07995	0.4
116.07050	0.6
116.98592	0.9
118.03535	0.3
118.99049	0.5
119.01919	21.3
120.02009	0.7
121.10113	1.0
122.09672	8.6
123.11703	0.8
124.02428	0.8
124.07591	0.5
131.08575	0.8
136.11215	0.6
137.02963	4.5
138.12772	15.0
139.07559	0.7
142.03499	9.0
143.01881	0.4
148.11177	2.2
149.09599	1.0
160.02960	0.8
160.04553	6.7
161.02957	6.0
161.04308	0.6
166.12271	38.5
171.02852	1.9
178.03899	0.3
178.05589	0.9
179.04013	8.8
184.04619	0.4
184.13322	25.4
197.99219	0.7
202.14378	100.0
202.17972	13.1
203.05536	0.6
203.14708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1439
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
55.01870	0.4
55.05510	2.7
56.05015	0.3
57.03436	9.9
58.06605	0.5
67.05499	2.0
68.99779	0.3
69.07072	3.3
70.06588	2.0
71.04996	0.5
72.08153	4.4
79.05485	1.7
81.07060	0.6
82.99788	0.3
83.04967	1.5
83.08617	0.7
84.08126	0.9
85.08923	0.5
86.09703	1.1
89.02429	0.5
91.05471	0.8
93.07047	10.4
95.04982	2.7
95.08580	1.3
97.06533	19.7
98.09701	5.5
98.97549	0.6
100.02460	0.4
101.00871	3.0
102.09203	0.6
106.30873	0.3
109.06520	0.7
110.09698	0.3
111.08087	7.0
113.05993	0.5
113.09632	0.4
115.07577	1.2
119.01918	5.7
121.06489	2.2
124.11238	0.6
132.10175	0.4
137.02971	1.6
139.07545	8.6
142.03505	2.9
142.12279	6.0
143.03421	0.4
147.75175	0.3
154.65814	0.4
157.08617	7.2
160.04597	1.1
161.02965	1.7
166.12297	0.8
178.05556	0.4
179.04019	2.2
184.13388	3.0
202.14381	100.0
203.14796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37700	0.2
55.01870	0.6
57.07084	1.3
57.66428	0.2
60.04520	0.4
62.84658	0.2
62.90436	0.2
63.99703	0.2
69.20947	1.6
70.06590	0.4
72.98499	0.3
75.04483	0.6
85.16882	0.2
86.06071	1.1
86.09707	100.0
87.04459	0.5
87.10017	0.4
95.16190	0.2
100.97169	0.3
108.15638	0.3
116.10725	1.0
119.08576	0.2
119.96806	0.3
127.77686	0.2
128.10718	47.9
129.11046	0.4
129.14977	0.2
130.22911	0.3
142.12219	0.7
160.13327	13.7
161.13655	0.4
170.11763	43.4
184.09627	0.2
202.14369	2.4
202.16446	0.6
202.21730	0.5
217.63802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91089	0.9
58.99870	1.1
70.44090	0.8
71.43404	1.1
82.01447	45.6
84.04565	1.1
84.08151	2.5
97.07565	0.8
100.02486	86.8
101.00885	14.8
101.97182	1.0
102.00965	5.2
102.96877	2.2
116.98727	1.2
118.03525	23.6
119.01920	43.6
119.02771	2.1
120.02008	12.6
120.95415	3.4
121.01685	1.8
123.03986	0.8
135.51428	1.0
137.02965	9.1
138.03082	3.9
138.95418	0.7
138.96397	20.5
142.03539	2.8
143.03664	5.6
148.95961	1.1
155.53311	1.0
156.97484	81.1
157.97559	1.9
160.04510	1.7
160.76175	1.0
161.02989	8.1
161.04636	3.9
161.98042	7.6
161.99359	1.1
162.03119	5.0
162.04350	1.5
168.48262	0.9
174.98538	39.3
175.98701	1.1
179.04030	10.6
179.05533	1.5
179.99252	100.0
180.04082	6.0
180.99242	1.0
189.23712	1.0
197.99178	50.4
198.00259	36.8
203.00883	1.3
221.01825	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
58.67689	0.8
59.04996	1.4
68.33056	0.9
69.55286	2.4
69.55680	2.1
70.06595	10.9
71.06091	1.8
84.49397	0.9
85.02883	1.6
86.09710	9.1
88.08741	3.6
98.22729	1.1
101.00896	1.2
116.07073	5.7
118.44714	1.0
158.12903	2.0
161.02977	2.4
203.05257	100.0
203.15045	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	203.1392
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
55.01870	0.4
57.03436	0.6
69.07061	1.1
69.82760	0.5
69.83104	0.3
70.06599	1.5
71.06103	0.3
72.08176	0.6
72.34957	0.2
73.02905	0.3
80.63792	0.2
82.99831	0.4
86.01817	0.2
86.09704	100.0
87.10049	0.2
88.08741	0.4
89.41649	0.2
90.05569	0.5
98.04981	0.2
98.23417	0.3
100.02496	0.4
101.00881	3.0
102.00953	0.6
103.00633	0.4
116.07108	0.4
118.03502	0.3
119.01915	6.3
120.02032	1.1
121.01662	0.6
124.01281	0.2
131.01965	0.3
132.10216	0.8
133.03496	0.3
137.02956	1.1
138.03090	0.4
143.01906	1.8
143.03566	0.8
156.97408	1.1
157.13432	0.3
158.12939	0.2
161.02966	4.6
161.04410	0.4
162.03105	0.4
163.03941	0.6
173.03015	0.5
174.98547	0.6
179.04025	0.8
179.99133	1.5
180.04100	0.5
191.04024	0.7
198.00262	0.6
203.03709	0.2
203.05463	1.1
203.08330	0.3
203.13942	1.7
203.14911	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
50.99399	0.6
55.01880	1.2
68.01099	0.6
70.06596	1.4
70.36510	1.2
72.08154	1.4
86.09710	100.0
87.04493	1.1
88.08739	0.7
115.33639	0.6
116.07111	0.8
117.78768	0.6
119.01936	0.8
120.55968	0.6
129.59218	0.6
132.10207	87.9
143.03397	3.0
157.12057	0.8
157.13374	15.2
158.11765	0.9
185.12973	0.9
203.05292	1.6
203.13789	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	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
55.05512	1.3
67.05504	5.4
69.07072	1.6
71.41167	0.8
76.34322	0.6
79.05491	7.3
81.07054	6.3
82.01425	0.9
83.08625	1.1
91.05473	9.9
92.92142	0.6
93.07044	6.1
95.04973	1.7
95.08045	0.6
95.08607	2.8
97.06567	0.7
100.02460	3.1
102.96858	1.8
103.05444	0.8
105.04424	0.7
105.06347	1.1
105.07019	13.4
107.04933	1.7
107.08582	2.4
109.06512	1.5
109.10160	1.2
112.86719	0.6
115.05430	1.0
117.07042	6.2
118.03545	1.6
119.08570	8.1
120.96560	2.7
120.97883	1.4
121.06501	3.2
121.10120	1.5
123.08032	0.9
128.06198	1.4
129.06999	5.5
131.08559	2.9
133.10103	2.8
135.08121	0.8
142.07802	0.7
143.08559	5.7
145.10098	1.4
147.08038	2.3
147.11632	1.3
157.10129	2.4
159.11661	2.4
161.09615	1.1
161.13290	1.0
168.77780	0.6
175.14838	2.3
179.97881	2.6
185.13243	7.1
197.99126	1.0
203.14313	100.0
204.14618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.3
55.05265	2.2
55.05510	29.8
55.77143	1.8
56.05023	1.5
57.07069	4.2
57.21791	1.4
58.99586	62.0
61.01139	6.6
68.05011	2.9
69.03403	4.4
69.07061	4.7
69.40746	5.6
69.41171	2.5
70.06580	2.7
73.01140	18.4
73.02908	1.8
74.00647	5.4
76.02230	18.4
79.05484	9.6
81.03442	2.1
81.07054	63.9
83.08620	12.6
84.04500	5.7
85.01102	3.6
85.02906	4.1
86.58952	1.9
86.99057	40.4
87.02704	2.5
88.02218	3.7
88.03981	6.2
97.02862	2.8
99.02658	2.2
99.04428	1.4
100.11253	100.0
102.01101	1.6
102.96860	6.7
105.00082	17.1
109.02795	2.6
112.11214	2.4
115.05787	20.8
116.05325	10.7
118.36566	1.5
120.97881	5.3
121.96613	1.8
124.11223	2.1
130.06561	1.9
138.98909	4.5
141.07327	9.8
149.02325	11.2
158.06015	3.9
158.09987	38.4
187.07863	94.7
204.08638	4.0
204.10501	59.5
204.13733	3.6
204.19621	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	204.1595
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
55.05510	2.5
56.05049	0.6
56.84137	0.7
56.96564	1.2
57.03431	2.9
57.07067	1.5
58.06601	5.2
60.95853	1.1
61.55127	0.7
62.91095	0.7
67.05513	4.7
69.07086	0.8
69.87009	2.4
70.06593	2.8
71.05017	0.7
72.04527	1.8
72.08155	17.4
78.95290	0.8
81.03389	0.9
81.07040	5.1
84.08142	9.0
85.02905	1.8
85.08920	6.4
86.09736	3.5
87.10046	1.0
93.07027	1.2
95.08607	41.1
97.02887	1.6
99.08113	0.9
100.02534	0.8
101.02558	2.2
102.03754	1.0
102.96864	6.5
112.11200	1.0
113.08824	0.7
113.09617	1.3
115.01331	0.7
119.01899	1.0
119.03596	1.1
119.97942	0.8
120.02046	2.5
120.97916	7.5
121.01666	4.8
121.02838	0.7
121.96654	1.0
123.08057	5.6
126.05464	1.2
129.10287	1.2
132.10300	0.8
138.03105	0.8
138.98940	6.0
139.95468	0.8
141.09116	2.1
144.03282	1.5
144.06529	1.0
149.02341	8.9
158.96263	0.8
161.71330	0.7
162.03252	1.0
162.04439	1.1
163.96930	1.3
180.04265	1.4
181.03929	1.1
181.97932	0.9
186.14894	64.5
198.99200	1.6
204.08545	1.6
204.15979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19928	0.5
52.79346	0.5
55.05518	1.4
56.96562	1.3
57.03435	3.6
58.06600	7.1
59.47686	0.5
60.95837	0.6
65.42749	0.6
67.05508	4.5
69.07056	1.2
69.90862	1.8
70.06592	4.6
71.04980	0.7
71.06931	1.4
71.07373	0.7
72.04513	2.3
72.08157	17.8
72.93786	0.7
78.95277	1.0
79.05507	1.1
81.07060	6.1
84.04489	1.0
84.08150	8.0
85.01114	0.6
85.02918	1.6
85.08924	6.6
86.06085	0.7
86.09707	3.0
87.10065	1.0
88.08758	0.6
93.07034	1.8
95.08608	39.6
96.04501	0.7
97.02889	1.3
98.09725	0.9
98.22804	0.8
99.07201	0.6
99.08089	1.0
100.02499	0.9
101.02541	1.0
102.03806	0.6
102.96870	4.7
103.00648	0.7
105.07023	0.5
108.15680	0.5
113.09652	1.3
117.07457	0.7
119.01941	1.8
119.03638	1.6
119.97916	0.8
120.01959	1.2
120.97923	4.4
121.00865	0.9
121.01656	4.9
121.96631	0.8
123.08080	5.2
124.11224	0.9
126.05577	1.0
127.03985	0.7
129.10265	1.1
133.10602	0.8
138.05531	1.3
138.98935	3.4
139.02731	1.8
141.09099	1.7
144.03268	2.3
144.06578	1.4
149.02338	4.9
157.97678	0.6
158.08150	1.5
158.11783	1.1
162.03197	0.7
162.04419	1.1
163.02811	1.0
180.04254	1.0
181.03847	1.2
181.97913	1.2
186.14893	66.8
198.99310	0.8
204.01912	0.7
204.15984	100.0
205.16257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1597
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
55.01883	1.7
55.05508	9.3
57.03429	4.2
57.07070	1.7
58.06586	4.9
67.05168	1.5
67.05511	20.5
69.07072	21.3
69.88980	1.5
69.89334	3.4
70.06593	40.1
71.04986	4.2
72.04514	1.5
79.05491	3.2
81.07059	33.7
82.06578	2.2
83.04976	1.4
83.08627	9.0
84.08123	2.6
84.76029	1.2
85.06524	1.9
91.05502	6.2
93.07041	5.9
95.08639	3.1
105.07032	10.6
107.08593	10.5
109.06522	2.5
109.10159	28.5
111.08102	2.1
113.06010	1.6
123.10883	2.2
123.11716	29.7
125.09644	1.5
126.09143	1.7
127.07546	2.7
133.10135	27.4
150.12787	5.3
151.11192	18.9
166.51982	1.1
168.13841	87.7
169.12231	5.8
169.13614	0.9
186.14896	100.0
204.14012	1.9
204.15956	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
53.66628	0.2
55.05261	0.5
55.05511	6.0
56.05018	0.5
57.03432	3.1
57.07056	0.7
58.06340	0.3
58.06599	3.6
67.05507	11.8
69.07068	13.6
70.06591	10.8
70.51397	0.5
71.04997	2.1
71.08620	0.5
72.08134	0.5
73.06551	0.4
74.12396	0.3
75.82502	0.3
76.75745	0.2
78.44886	0.3
79.05484	1.1
81.07055	14.0
83.08617	2.6
84.08124	1.0
85.06542	1.4
86.09689	1.1
93.07031	0.8
95.08607	24.5
97.10161	0.9
98.09660	0.5
99.08112	0.5
109.09420	0.6
109.10156	10.1
111.11700	0.4
114.99691	0.3
123.11672	0.9
144.13844	0.3
149.02342	0.5
151.14812	1.7
168.17473	6.2
169.15877	1.1
186.18529	100.0
187.18829	0.9
204.19591	25.0
205.19864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58023	0.4
55.01873	1.0
55.05513	0.5
56.05034	9.5
56.96569	15.3
57.07080	4.3
58.06607	2.6
58.99286	0.6
58.99587	10.7
60.04533	0.8
61.01175	0.4
61.02943	0.5
63.92934	1.3
65.03938	1.5
68.05025	1.9
69.03438	1.7
69.05805	0.5
70.06593	1.9
71.05003	0.8
71.43221	0.5
72.08153	3.3
73.01175	0.5
73.02930	0.6
74.02454	1.3
74.06081	1.9
74.97614	0.4
75.02711	1.1
76.02235	5.7
76.04017	3.0
78.95284	4.4
81.03419	2.0
81.05148	0.4
81.93992	0.6
84.04509	1.9
84.08144	1.8
84.96051	0.8
85.01134	71.4
85.02888	2.8
86.09708	2.1
86.99062	3.7
87.02680	0.7
87.04454	0.8
87.10042	1.4
88.02227	1.8
93.07036	0.6
95.08603	1.6
97.02897	4.5
98.97589	23.2
99.04482	1.4
100.99144	0.7
101.00899	0.8
102.03770	100.0
102.05543	49.9
103.00655	2.4
109.02871	3.9
112.03972	1.3
112.07594	0.6
113.00627	0.5
114.05550	0.6
116.01688	16.4
116.07117	0.7
116.98631	15.2
118.03503	0.6
119.01930	1.9
119.97898	5.0
121.01665	5.9
121.02877	3.8
121.03999	1.1
122.94206	1.9
127.03910	2.0
129.10278	0.6
130.03265	0.6
130.08691	0.8
132.98050	0.9
134.99657	7.5
137.02998	0.6
139.02699	1.8
140.95258	2.5
142.03403	0.7
144.01137	3.4
145.01663	1.4
146.06010	0.7
148.04773	0.7
149.02345	33.5
150.99127	1.0
153.00726	0.6
158.96236	2.8
161.02898	0.5
162.02180	3.8
162.99139	1.8
163.02730	4.2
163.96872	5.8
169.00163	0.7
174.99146	1.3
176.98245	0.8
181.00214	6.6
181.03828	0.9
181.97849	6.9
181.99109	0.5
186.14896	3.1
187.15248	1.0
188.03757	11.4
188.09158	1.6
193.00256	2.7
199.01274	5.0
199.98799	0.5
200.00011	0.9
204.15871	1.9
205.00211	0.8
205.03731	0.8
205.06442	21.2
205.11832	4.4
205.16148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07067	1.3
65.54005	0.4
70.33238	0.9
74.02437	2.0
78.82458	0.4
81.03412	0.6
91.05489	1.4
97.02917	0.5
109.02863	0.9
115.05444	2.8
117.05768	1.3
117.06985	2.7
118.06538	42.0
121.02866	1.5
121.03835	0.4
130.06538	3.5
132.08090	11.6
142.06519	4.4
143.07321	5.2
144.04353	0.8
144.06931	0.9
144.08080	20.5
146.06003	96.8
147.06360	0.8
149.02336	10.6
155.06018	0.5
159.09178	9.5
160.07593	1.9
170.06010	7.4
181.97858	0.5
188.07062	100.0
189.07414	0.9
190.05199	0.4
196.67438	0.5
205.09772	1.5
205.16298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
52.82404	0.3
53.03955	1.6
53.04162	0.3
55.01867	0.7
55.05513	0.7
56.96565	0.5
57.07072	2.6
59.04986	0.3
60.01062	0.3
65.03942	1.3
67.05513	0.7
69.03429	1.0
69.07062	0.4
69.65191	1.1
71.26706	0.3
72.08142	0.3
77.03925	1.9
78.95268	0.4
79.05481	0.6
81.03403	0.8
81.07057	0.4
83.04980	0.8
85.02895	0.6
87.04436	0.3
87.27520	0.3
91.05481	16.9
93.07043	58.3
94.07356	0.6
95.04966	6.8
96.96342	0.3
97.02907	1.0
99.04452	0.3
103.05473	2.9
105.04516	3.7
105.07049	1.4
107.08591	0.9
109.02870	1.2
111.04432	0.5
111.55409	0.3
115.05403	0.4
117.07005	1.2
118.06532	0.4
119.00137	0.4
119.08582	1.0
119.57676	0.3
119.97910	0.6
121.02871	2.7
121.06502	100.0
122.06821	0.4
122.96512	0.3
127.03900	0.7
127.07541	0.4
129.07024	0.6
131.08569	1.0
133.10127	0.4
135.08034	0.9
135.11719	0.6
144.09303	0.7
145.10098	1.2
146.05975	1.4
146.48480	0.3
147.08054	0.6
149.02341	25.3
158.96243	0.4
159.11681	3.8
163.11174	0.9
163.96896	0.5
167.03384	0.3
169.14211	0.3
172.08862	0.5
177.12761	1.1
181.97783	1.0
187.08566	0.3
187.11131	0.7
188.07072	1.1
205.12230	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02374	0.4
53.03949	1.2
55.01873	0.7
55.05511	0.6
57.07081	0.5
67.05503	0.7
67.14067	0.2
69.03417	0.6
69.07094	0.3
71.24181	0.2
71.24538	0.4
77.03917	3.4
79.05477	0.7
83.04967	0.6
85.06547	0.8
91.05037	0.3
91.05479	16.5
93.07042	59.3
94.07377	0.4
95.04964	6.4
95.08694	0.2
103.05456	2.9
105.04512	2.6
105.07005	1.3
107.08604	1.0
108.74019	0.2
117.07024	1.1
119.08575	1.1
121.06502	100.0
122.06808	0.5
127.07526	0.5
129.07053	0.7
131.08585	1.2
133.10193	0.3
135.08049	0.7
135.11684	0.7
139.07506	0.3
144.09311	0.7
145.06477	0.3
145.10100	1.2
149.02347	1.3
153.24551	0.2
154.07800	0.3
154.66689	0.2
159.11694	2.7
163.11171	0.8
177.12749	0.9
187.11104	0.8
201.26880	0.2
205.12227	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.05007	0.2
63.32270	0.1
64.72843	0.2
70.06573	0.2
70.93568	0.2
72.08154	0.3
86.09698	0.2
97.02904	0.2
104.04995	0.2
105.03384	0.7
118.06557	0.3
132.04459	2.4
133.02858	0.5
137.37849	0.2
141.58926	0.2
149.02328	0.4
150.02684	0.6
150.05492	1.5
160.03964	0.6
176.92735	0.1
178.04990	100.0
179.05342	1.3
195.13557	0.2
206.04486	44.6
206.11807	0.8
207.04785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37888	4.4
69.38283	2.2
82.99843	2.2
84.11370	1.4
85.87368	1.5
95.81495	1.3
98.15116	1.4
100.02455	1.3
101.00883	17.4
116.05276	2.3
118.06535	2.1
119.01926	58.5
120.02026	1.4
121.01656	4.2
123.24815	1.5
124.02464	5.5
129.01222	1.4
131.54141	1.2
137.02965	16.0
142.03503	100.0
143.03540	1.9
146.06030	3.2
149.02353	3.3
150.02687	7.4
157.82643	1.4
160.04570	28.5
161.02876	1.5
165.05165	2.5
178.08624	5.6
206.08121	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	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
52.84922	0.4
53.03942	0.5
55.01871	1.1
55.05468	0.5
59.50127	0.4
65.03938	7.6
67.05497	1.2
68.99794	0.5
69.03426	1.5
69.19873	1.7
69.20272	0.9
71.04993	0.8
76.03149	1.1
77.03923	1.6
79.05486	2.4
80.06264	1.5
81.03446	0.7
81.07056	2.6
81.19846	0.5
82.33205	0.5
83.05006	0.5
89.03927	4.1
90.04696	1.8
91.05480	94.7
92.05811	0.6
93.03397	0.6
93.07047	2.3
93.41603	0.4
94.04176	0.5
95.04978	2.3
95.08606	1.3
98.57822	0.6
101.03908	1.0
103.05473	2.5
104.02599	1.2
105.03388	1.1
105.07031	3.1
106.04228	0.5
107.04955	2.6
107.08599	1.3
108.05727	1.6
109.06522	1.5
109.10156	1.1
117.03348	1.6
117.06977	0.6
118.04171	7.1
119.04943	90.5
119.08546	3.2
120.05299	0.6
121.02882	2.3
121.06520	1.3
121.10163	1.3
122.03641	0.7
123.04452	1.0
123.08045	1.4
129.03369	1.6
129.04453	1.4
131.04947	0.7
131.08530	0.6
132.02061	7.3
133.02841	1.5
133.06497	0.7
133.10126	1.8
134.03610	1.0
135.04417	3.8
136.05222	4.4
137.09590	1.0
145.02861	2.2
146.03641	7.8
147.04408	77.1
147.11659	2.5
148.04884	0.7
149.02341	11.6
149.06061	0.6
149.09633	1.7
150.03099	0.9
151.07518	2.6
157.03963	11.1
160.01538	0.6
161.09625	1.3
161.13275	1.0
162.03156	0.9
163.03923	2.7
164.04691	8.7
164.06042	0.5
165.09111	0.9
165.12761	0.7
165.96486	0.5
174.03152	5.7
175.03906	100.0
176.04254	1.2
177.01758	1.0
177.05478	1.1
178.02560	0.9
179.07024	11.0
179.08641	0.6
189.12762	1.0
191.03452	0.6
192.04160	16.4
207.06526	66.5
207.13713	3.5
207.17444	0.8
211.83759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.69383	1.0
53.03934	3.5
55.05505	4.9
57.03429	1.3
57.07062	3.1
59.04985	3.8
60.71778	0.9
65.03927	2.8
67.05498	6.2
67.47093	0.9
68.32738	0.9
69.03436	5.1
69.07057	3.9
69.54111	3.4
69.54525	2.0
71.04985	2.8
77.03923	1.0
79.05485	5.4
80.26315	1.1
81.03423	13.7
81.07061	17.8
82.57627	1.0
83.04955	1.8
83.08593	2.6
85.02905	100.0
87.05557	1.3
89.03915	2.2
90.04736	1.0
91.05481	49.0
93.07038	6.9
95.04957	3.0
95.08601	6.5
103.05437	1.3
104.02574	1.5
105.07024	13.6
107.04954	2.3
107.08588	10.3
109.06538	7.0
109.10152	21.5
111.04432	3.2
111.08068	1.0
117.03335	1.2
118.04160	3.9
119.04947	48.5
119.08565	14.7
120.08096	2.2
120.36416	1.0
121.02832	1.1
121.06477	1.0
121.10149	14.0
123.08111	5.0
123.11710	72.6
123.85286	1.1
124.11995	1.5
125.05982	10.8
125.09576	1.5
129.07048	1.0
131.08551	4.3
132.02077	3.2
133.06462	1.5
133.10083	3.0
135.04440	1.4
135.08081	1.9
136.05174	1.6
137.09604	1.9
141.05438	1.6
143.08546	1.4
144.08075	2.5
145.02867	1.2
145.10106	3.4
146.03610	1.3
147.03299	2.2
147.04414	33.9
147.08020	6.9
147.11685	15.7
149.02336	7.2
149.09619	20.4
151.07521	8.5
156.09293	2.7
157.04025	5.4
159.08025	1.9
159.11670	1.0
161.09584	1.7
161.13229	3.1
163.11159	2.1
164.04655	4.3
165.12752	15.6
169.08623	1.4
171.11697	3.0
174.10411	1.4
175.03914	49.2
179.07030	4.5
189.11464	1.1
189.12787	15.0
192.04178	17.8
207.06517	33.7
207.13799	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05503	5.4
57.07069	5.8
59.05011	2.7
65.03928	1.9
67.05506	23.8
69.03432	9.3
69.07056	4.1
69.39938	3.3
69.40278	9.4
72.78779	1.9
74.73520	1.8
78.59502	1.8
79.05507	4.1
79.24051	1.8
80.94974	2.1
81.07057	6.4
83.04975	3.1
83.08617	2.1
84.08011	2.0
85.06548	8.4
85.42448	2.3
91.05489	8.6
93.07050	13.3
95.04969	5.8
95.08606	100.0
97.06525	3.1
103.48604	1.9
105.07047	13.2
107.08575	18.2
109.06504	4.7
109.10134	4.7
113.06031	4.9
119.08595	19.6
121.06511	3.3
121.10131	15.1
123.08069	40.3
123.08902	3.3
123.11720	7.3
131.08545	2.8
133.10130	6.9
135.11699	5.7
137.09608	6.0
137.13261	2.6
147.08066	4.5
147.11674	13.6
149.09625	45.6
149.59320	2.2
151.07506	2.1
151.14751	2.4
156.09383	3.5
159.08051	2.0
161.09630	3.0
161.13240	11.7
163.11160	3.1
165.09131	2.3
165.12744	16.0
165.96547	2.6
171.11665	4.6
174.10410	4.1
179.08940	2.2
179.14299	2.3
189.12737	17.0
207.06425	3.0
207.09976	2.2
207.13803	32.4
207.17357	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.30259	0.9
53.03944	2.9
54.13486	0.8
55.01869	4.6
55.05510	11.5
56.36988	0.9
57.03419	2.3
57.07087	5.9
59.05000	2.2
61.13441	0.8
65.03942	3.7
67.05506	40.6
69.03432	62.8
69.06714	1.5
69.07069	25.8
70.69270	1.2
71.04984	4.5
77.03942	1.0
79.05495	20.9
81.03416	12.9
81.07061	19.5
83.04542	0.9
83.04989	12.0
83.08613	2.7
85.02901	2.0
85.06532	3.1
91.05482	18.0
93.07046	18.8
95.04968	35.2
95.08607	17.2
97.02883	4.0
97.06535	13.6
99.04470	1.2
103.05481	1.0
105.04511	1.1
105.07034	38.8
107.04964	5.4
107.07928	1.2
107.08601	15.9
109.06517	20.8
109.10165	10.4
110.07304	7.7
111.08084	12.8
115.05463	1.8
117.07028	3.9
117.65234	0.9
119.04958	2.6
119.07737	1.9
119.08578	31.7
121.06527	6.2
121.09277	1.1
121.10146	23.6
122.07272	1.2
123.04431	56.4
123.08082	11.7
123.11685	2.7
124.08858	1.1
125.09631	4.4
128.06226	1.5
129.06981	2.7
130.07706	1.2
131.08549	5.2
133.06476	6.3
133.10129	90.6
135.08127	4.5
135.11647	6.0
137.05988	14.1
137.09615	10.1
137.13280	1.0
139.07536	1.7
139.11110	1.2
141.06979	1.5
143.08560	4.7
145.10123	9.9
147.04369	1.2
147.08060	9.9
147.11684	18.0
149.09599	5.7
151.07521	4.3
151.11186	2.1
153.09126	1.7
156.09338	13.9
159.08073	1.2
159.11720	7.0
161.09608	3.9
161.13254	23.2
163.11177	17.4
164.04723	0.9
165.09178	1.5
165.12737	3.8
171.11673	12.0
174.10435	4.4
177.12723	3.7
179.14322	4.2
189.12747	21.9
207.06496	2.4
207.13805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03956	0.8
55.01866	1.0
55.05515	3.1
57.03438	1.5
57.07080	1.1
59.04992	2.1
65.03950	0.7
67.05511	6.2
69.03431	6.0
69.07070	5.2
69.13985	2.7
69.14386	1.0
70.66380	0.5
71.04993	1.1
77.03919	0.6
79.05499	8.9
81.03410	0.9
81.07064	8.3
83.04983	5.5
83.08601	1.3
85.06557	1.0
86.49854	0.5
90.37926	0.6
91.05487	10.5
91.59032	0.5
93.07050	21.0
95.04969	5.8
95.08615	7.3
96.29704	0.6
97.06531	3.5
105.07033	28.6
107.04949	1.2
107.08595	15.5
109.06518	5.3
109.10142	2.9
111.08044	3.6
113.06037	0.6
117.07027	4.6
119.04942	2.1
119.06116	0.5
119.08590	22.1
121.06535	1.8
121.10147	3.7
123.08079	7.6
123.11688	0.7
128.06245	1.8
129.06990	2.3
131.08586	3.5
133.06462	4.1
133.10135	6.6
135.08101	1.3
135.11714	1.5
137.05984	4.2
137.09631	2.8
139.07512	0.8
141.06926	0.8
142.07791	0.7
143.08559	4.9
145.10138	3.9
146.07381	0.7
147.08035	6.5
147.11681	13.2
149.09651	3.4
151.07503	3.5
151.11253	1.1
156.09361	5.4
159.11717	4.0
160.08820	0.7
161.09599	6.0
161.13254	18.6
163.11165	1.4
165.12752	1.6
171.11716	5.4
174.10423	1.0
176.12059	0.8
177.12790	4.7
179.14351	3.3
179.15700	0.5
189.11406	0.5
189.12741	14.6
207.13811	100.0
208.14145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01862	1.7
55.05511	9.2
57.03431	2.8
57.07069	3.9
58.22797	1.4
59.04995	5.6
61.57200	1.4
64.43857	1.5
65.03927	5.9
67.05499	15.6
69.03423	7.4
69.07058	14.2
69.25594	8.3
71.04973	3.2
79.05479	13.8
81.03426	2.1
81.07055	22.2
83.04984	4.7
85.02880	2.3
85.06529	3.2
87.49530	1.4
89.03893	1.8
91.05482	61.8
93.07042	28.6
95.04974	11.7
95.08605	65.0
97.02851	1.3
97.06544	2.9
98.22705	2.6
99.04422	1.4
103.05488	2.7
105.04517	1.8
105.06347	3.1
105.07028	53.7
107.04931	3.1
107.08591	30.4
109.06514	9.5
109.10156	10.7
111.04450	1.9
111.08071	2.4
117.03376	1.6
117.06995	4.7
118.04138	2.7
119.04941	41.4
119.08576	65.3
119.09425	3.4
121.06494	8.3
121.10139	19.9
123.04462	2.1
123.08064	51.1
123.11666	4.3
125.05965	2.0
128.06206	3.2
129.07060	1.8
130.07779	1.8
131.08591	6.7
132.02066	4.2
133.06483	16.2
133.10127	32.2
135.08014	4.3
135.10742	2.5
135.11699	24.9
136.05142	2.0
137.05963	5.5
137.09612	4.3
137.13268	7.8
139.07503	3.7
143.08562	7.5
145.10101	6.2
146.03600	2.6
147.03302	2.2
147.04405	33.8
147.08029	9.4
147.11682	29.9
149.02309	6.3
149.09607	22.5
151.07545	26.0
151.11156	2.2
152.34230	1.4
156.09381	9.1
157.03957	5.8
159.08073	6.6
159.11693	7.2
161.09634	12.1
161.13251	75.6
163.11159	6.2
164.04657	5.7
165.12721	5.1
170.55272	1.4
171.11664	12.3
174.03146	4.4
174.10422	12.9
175.03918	40.5
177.12714	3.1
177.90607	1.4
179.06981	5.5
179.14302	9.6
189.09126	1.9
189.12730	60.8
192.04192	9.6
207.06520	30.8
207.13799	100.0
218.98898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
53.92289	0.2
55.01867	0.4
55.05504	1.2
57.04406	0.2
59.47332	0.2
64.16350	0.2
65.03935	0.2
67.05505	1.9
69.03432	1.1
69.07069	4.4
69.92426	0.2
71.04986	0.3
79.05503	1.7
81.03410	0.2
81.07058	3.5
81.93765	0.2
83.01350	0.4
83.04987	0.9
83.08594	0.5
85.02902	2.5
85.06546	0.4
86.27243	0.2
91.04942	0.3
91.05476	3.3
93.03423	0.2
93.06444	0.3
93.07044	5.5
95.04974	2.9
95.08605	4.6
96.05751	0.2
97.02869	0.3
97.06521	0.7
99.04463	0.2
103.05448	0.2
104.97241	0.2
105.07034	4.1
107.04993	0.2
107.08604	1.6
109.06514	3.9
109.10138	1.5
111.04446	0.5
111.08068	0.3
117.07018	0.4
117.26545	0.2
119.04955	2.5
119.08579	3.2
121.06473	0.7
121.10149	2.1
123.04425	0.4
123.08071	4.8
123.11703	1.4
125.05983	0.3
131.08589	0.4
133.06483	0.8
133.10144	1.4
135.04382	0.3
135.08055	0.3
135.11703	0.5
136.05196	0.4
137.05991	0.4
137.09595	0.6
139.07535	0.5
139.79204	0.2
143.08549	0.4
145.10121	0.4
146.03589	0.4
147.04431	2.0
147.08051	0.8
147.11696	1.6
149.02319	1.1
149.05931	0.2
149.09636	0.5
150.03302	0.2
151.07545	12.8
156.09386	0.4
157.03976	0.3
161.09576	0.4
161.13275	1.5
163.03912	0.3
163.07674	0.2
163.11180	0.2
164.04695	1.1
164.05911	0.2
165.09206	0.4
165.12808	0.2
171.11674	0.4
174.03157	0.5
175.03912	1.6
177.09132	0.6
179.07069	1.1
179.14439	0.2
189.12764	0.4
192.04164	0.5
192.11508	0.5
207.06531	3.3
207.13799	100.0
208.14078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03955	4.8
55.01871	4.9
55.05521	4.0
65.03942	11.2
67.05473	5.6
69.07080	2.8
75.04090	2.4
75.04487	9.2
77.03910	4.4
78.04733	8.8
79.05486	6.9
81.07056	4.6
85.02918	8.9
89.03915	4.3
89.06027	3.3
91.05482	41.3
93.03401	28.2
93.07052	15.0
95.04958	18.9
97.06540	8.9
103.05469	16.3
104.81114	2.6
105.03348	2.6
105.04524	6.8
105.07027	6.1
105.53788	2.4
106.04175	82.4
107.04948	3.3
107.08628	5.3
109.06514	3.2
111.04473	2.9
117.03412	4.9
118.04204	4.3
119.04972	2.8
121.06504	72.3
123.08096	4.6
124.05259	2.8
125.05999	21.0
133.10188	3.2
134.03627	12.7
137.06013	10.6
138.06720	3.5
139.07549	4.8
145.02849	5.2
148.05225	10.0
149.05983	100.0
149.07190	4.8
151.07571	4.8
151.11185	3.0
152.08224	2.6
153.05475	6.1
153.09093	17.1
162.03059	2.8
163.07581	3.9
165.05450	3.3
177.05437	30.5
181.08556	20.4
185.97487	3.7
191.06993	3.4
209.08157	13.2
209.15457	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	209.1175
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.72029	0.8
53.03939	2.2
55.01871	34.9
55.05252	1.3
55.05509	14.7
57.03439	3.0
57.07076	2.5
59.05000	1.9
65.03940	3.5
67.05502	40.0
69.03430	1.9
69.07065	9.9
70.06585	1.2
71.04985	5.9
73.02917	1.4
75.44248	0.8
79.05489	24.1
81.03413	3.2
81.07056	24.9
83.04979	77.5
83.08617	7.2
85.02903	4.9
85.06532	4.2
85.12384	0.9
87.04468	1.5
91.05477	17.7
93.03408	3.5
93.07045	37.2
95.04969	12.1
95.08605	10.5
97.06533	15.4
99.04479	7.9
99.08091	3.9
101.02383	1.5
103.05476	2.3
105.04500	1.3
105.07027	7.7
106.04162	5.1
107.04972	6.0
107.08590	19.9
109.06528	5.2
109.10170	8.4
111.04441	100.0
111.08079	38.0
117.06992	6.3
119.04944	1.3
119.08578	9.9
121.06506	8.6
121.10150	16.3
123.08028	1.1
123.11704	1.3
125.05990	7.9
125.09628	2.3
125.36927	0.9
129.05473	3.5
129.06973	4.0
130.07785	1.1
131.04861	1.3
131.08565	12.0
133.10138	3.0
135.08054	5.0
135.11685	24.0
137.05943	0.9
137.09647	1.9
138.06682	1.3
139.07562	2.0
143.08585	1.1
145.06477	1.5
145.10123	22.4
147.11707	3.2
149.05965	5.8
149.09619	11.3
149.13268	1.2
151.11168	2.5
153.09155	3.6
153.12741	32.1
155.08597	2.9
163.07547	1.2
163.11172	36.5
163.14809	0.9
165.12759	4.2
167.14407	0.9
173.09618	8.5
173.13194	1.3
177.05498	2.3
181.08704	1.5
181.12234	21.6
182.12541	0.8
185.97501	1.2
191.10664	24.2
191.14325	3.0
192.02652	0.8
208.20670	1.3
209.09853	1.7
209.11725	18.3
209.13469	1.6
209.15295	7.4
209.20863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.10584	0.7
53.03949	1.1
55.01874	1.4
55.05510	4.0
57.03439	3.5
57.07076	3.2
57.96179	0.7
59.04999	2.8
65.03955	0.9
67.05508	7.4
69.03425	1.0
69.07074	5.3
69.37434	0.7
70.06627	0.8
70.52025	1.3
71.04989	3.1
77.03943	0.9
79.05490	9.8
81.07056	23.7
83.04984	4.9
83.08630	4.0
85.06547	2.3
85.10172	1.1
91.05479	6.7
93.07050	12.5
95.04965	20.1
95.08615	8.6
95.97065	0.7
96.85880	0.8
97.06531	32.2
97.10217	0.7
99.04463	4.2
99.08089	1.3
105.07033	10.3
106.04182	1.5
107.08596	16.8
109.06520	100.0
109.10156	21.8
110.06853	1.0
111.04481	1.2
111.08104	5.1
111.14262	0.9
117.06977	2.1
119.08558	3.6
121.06516	2.2
121.10146	20.3
123.08096	4.2
123.11694	2.1
125.09629	3.0
131.08566	10.2
133.10129	40.6
134.10535	0.9
135.08078	11.3
135.11684	3.4
137.09563	1.2
143.08620	1.2
145.10146	4.0
147.11693	3.2
149.05948	1.8
149.09642	1.7
149.13278	5.7
151.11182	4.2
153.09103	25.6
158.10915	2.9
163.11188	1.4
163.14833	5.3
164.88521	0.8
165.12720	1.5
167.14328	2.9
173.13266	17.4
191.14299	20.4
209.15359	30.3
210.11047	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.79784	2.3
55.01864	4.9
55.05502	15.8
57.03429	5.0
57.07073	4.2
59.05003	4.6
60.08923	2.3
61.85735	2.3
67.05502	12.4
68.99784	3.9
69.03429	7.6
69.07075	18.4
70.43424	4.9
71.04984	7.4
77.03947	2.7
77.77313	2.8
79.05493	14.6
81.07059	25.3
83.04992	17.7
83.08621	7.3
85.06548	10.5
91.05480	13.9
93.07049	33.9
95.04985	17.5
95.08606	27.0
97.06522	6.0
99.08096	26.7
100.31277	2.9
101.11710	2.5
105.07031	14.9
106.04146	4.1
107.04946	10.2
107.08593	58.1
109.06522	16.7
109.10168	27.2
111.08091	9.9
117.07037	4.7
119.08586	9.4
121.06506	17.9
121.10140	47.9
123.08086	21.8
123.11681	7.4
125.06002	9.4
125.09653	11.1
131.08551	17.8
133.10136	34.2
135.08066	16.8
135.11673	4.3
137.09637	9.5
139.07526	6.2
139.11218	6.5
145.10126	8.0
145.34352	2.7
147.11661	13.2
149.05983	6.7
149.09621	100.0
149.13249	25.4
151.11174	46.1
153.09109	17.0
163.07555	2.6
163.11174	5.4
163.14793	18.3
173.13277	23.0
191.14299	35.5
194.36766	2.4
209.15408	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	2.3
53.62613	1.8
55.01846	4.2
55.05513	16.9
57.03429	4.8
57.07065	7.7
59.04998	4.4
67.05512	19.2
69.03437	14.7
69.07069	31.1
70.69001	2.3
71.04996	8.5
79.01619	1.7
79.05500	39.7
80.47755	1.6
81.03423	5.7
81.07060	45.6
81.48863	1.5
83.04985	14.4
83.08622	9.1
85.06537	6.0
91.05478	23.0
93.06458	2.5
93.07050	54.5
95.04969	9.3
95.08609	57.1
97.06542	8.4
97.10173	17.5
99.04494	3.6
99.08095	2.2
103.05482	2.9
105.07032	25.9
106.04167	3.9
107.04950	5.7
107.08597	100.0
109.06523	15.6
109.10158	29.2
111.08087	15.6
117.07018	6.4
119.08595	12.1
121.06509	29.2
121.10151	44.4
121.10993	3.9
123.08053	8.2
123.11705	11.3
125.06004	4.2
125.09646	22.8
131.08565	19.1
133.10127	22.5
135.08061	36.6
135.11697	14.0
137.09628	5.1
143.08553	2.2
143.54016	1.9
145.10173	9.2
147.11697	24.1
149.05956	4.1
149.09630	22.2
149.13243	27.8
151.11206	14.4
153.09158	8.4
158.10939	4.5
161.13182	2.8
163.11217	4.2
163.14825	33.8
165.12766	7.9
173.13281	42.5
191.14320	87.8
201.03902	1.8
209.08080	2.0
209.15384	94.2
215.15007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.9
55.01869	3.0
55.05513	49.3
57.07082	1.8
59.04998	3.2
64.86671	1.4
65.03924	2.3
67.05510	9.3
69.03432	8.1
69.07063	7.2
69.14734	5.0
69.15157	4.8
71.05000	10.5
78.04708	2.2
79.05495	8.6
81.07059	18.1
83.04982	55.0
83.08625	27.7
85.02894	2.0
85.06533	3.5
91.05479	9.6
93.03387	3.9
93.07040	17.5
95.04972	100.0
95.08617	15.5
97.06525	9.8
97.10168	4.2
98.23512	3.1
99.04451	18.9
99.08071	5.1
103.05481	2.4
105.07029	9.3
106.04167	8.8
107.04958	2.5
107.08588	30.6
109.06566	8.0
109.10165	22.4
111.08069	10.8
117.07094	1.7
119.08604	5.2
121.06516	11.5
121.10154	19.9
123.08061	4.1
123.11684	10.8
123.97414	1.7
125.06013	2.4
125.09650	12.4
131.08569	3.9
133.10132	14.8
135.08052	6.1
135.11693	3.2
137.09663	2.0
139.07605	1.7
143.08571	1.5
145.10110	5.1
147.11659	3.4
148.05191	2.1
149.06004	12.7
149.09607	4.6
149.13269	11.9
151.11188	56.5
153.09106	32.5
158.10930	2.7
163.11176	3.9
163.14871	3.1
165.12773	2.0
167.14328	44.7
173.13309	9.9
177.05467	2.5
181.08574	2.0
191.14311	18.2
209.15367	37.6
209.17221	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69967	6.8
54.36451	5.8
60.88832	6.9
69.83873	16.1
74.14761	6.5
94.93015	100.0
112.89619	22.0
116.80245	6.8
189.58434	8.1
191.89923	6.8
192.93085	32.8
209.95613	85.7
221.36800	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	210.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.96555	2.3
58.19453	1.2
58.62103	1.2
70.61704	1.2
81.07055	1.7
83.04965	1.4
85.02934	1.3
95.08593	1.3
108.08129	2.0
109.08906	1.4
110.48928	1.1
114.99932	1.0
129.01839	1.5
137.08353	22.9
146.45918	1.2
150.09116	2.7
150.96875	1.5
163.97711	3.7
170.11601	1.3
181.98778	2.1
209.15358	3.4
210.05014	100.0
210.11250	76.1
210.14828	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	210.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02613	1.7
61.98787	1.7
68.99779	12.3
69.61962	1.7
70.65742	3.0
87.00848	4.9
111.00835	10.9
115.00256	2.4
125.81258	2.0
129.01840	100.0
139.00252	28.7
139.01231	2.2
143.80031	1.5
147.02887	47.9
157.01326	45.7
172.60339	1.6
175.02379	25.4
193.03426	4.1
204.11443	1.6
210.07591	3.3
210.15057	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	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24803	12.1
70.81971	18.1
83.82082	11.8
94.93015	30.6
98.23358	13.7
102.60349	11.3
112.89641	13.2
120.94572	19.2
201.62805	12.2
210.94081	100.0
210.97945	11.3
223.54369	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.81011	2.3
53.03944	4.9
55.01885	3.8
55.05514	37.5
56.96569	41.9
57.03439	9.1
64.83873	2.8
67.05508	27.4
69.03424	8.1
69.07067	9.9
71.04996	7.1
79.05498	29.2
81.03418	100.0
81.07054	34.8
83.04979	47.6
83.08628	40.0
84.96046	9.3
85.02897	3.2
91.05477	34.6
93.07050	21.1
95.04974	38.0
95.08592	16.2
97.06538	6.4
97.10179	7.9
97.99165	12.9
105.07044	26.7
107.04948	5.5
107.08604	9.4
109.06525	10.1
109.10179	6.8
111.08113	11.6
116.00217	9.8
117.07079	2.6
119.08572	18.3
121.10161	5.2
123.08049	4.0
129.07024	10.3
131.08574	11.4
133.06528	4.3
133.10141	12.7
137.13287	2.6
147.08066	4.2
147.11725	14.4
149.09636	7.7
157.10120	17.9
175.11188	21.2
193.12260	47.6
197.31142	2.6
198.05489	2.4
211.11290	5.2
211.13284	27.0
211.14990	6.2
211.16805	4.8
230.24971	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81011	2.3
53.03944	4.9
55.01885	3.8
55.05514	37.5
56.96569	41.9
57.03439	9.1
64.83873	2.8
67.05508	27.4
69.03424	8.1
69.07067	9.9
71.04996	7.1
79.05498	29.2
81.03418	100.0
81.07054	34.8
83.04979	47.6
83.08628	40.0
84.96046	9.3
85.02897	3.2
91.05477	34.6
93.07050	21.1
95.04974	38.0
95.08592	16.2
97.06538	6.4
97.10179	7.9
97.99165	12.9
105.07044	26.7
107.04948	5.5
107.08604	9.4
109.06525	10.1
109.10179	6.8
111.08113	11.6
116.00217	9.8
117.07079	2.6
119.08572	18.3
121.10161	5.2
123.08049	4.0
129.07024	10.3
131.08574	11.4
133.06528	4.3
133.10141	12.7
137.13287	2.6
147.08066	4.2
147.11725	14.4
149.09636	7.7
157.10120	17.9
175.11188	21.2
193.12260	47.6
197.31142	2.6
198.05489	2.4
211.11290	5.2
211.13284	27.0
211.14990	6.2
211.16805	4.8
230.24971	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.81607	0.4
53.03952	0.5
55.01883	0.6
55.05508	13.3
56.96569	0.4
57.03446	0.6
57.07079	4.3
57.25237	0.3
59.05003	2.1
65.03943	0.5
67.05502	24.6
69.03426	9.1
69.07067	15.5
69.07449	0.7
71.04988	3.9
71.08632	1.4
79.05487	4.8
80.92712	0.3
81.03411	0.4
81.07056	25.2
83.04977	13.8
83.08615	9.5
85.06542	3.4
87.08077	0.5
91.05459	4.0
93.07046	11.0
95.04966	2.8
95.08604	36.1
97.06524	1.8
97.10156	2.7
97.34048	0.4
99.08093	4.9
101.10164	0.3
105.07023	7.0
107.08591	24.6
109.05761	0.5
109.06516	12.9
109.10152	100.0
110.10490	0.7
111.08089	3.4
111.11705	0.4
113.06036	0.7
113.09667	2.1
117.06984	0.6
119.08576	21.7
120.09437	0.4
121.10142	10.7
123.08061	14.8
123.11703	9.9
125.09646	1.8
127.07619	0.3
127.11211	0.8
131.08569	0.4
132.92314	0.4
133.10124	19.6
135.11688	66.6
137.09612	17.8
137.13252	0.4
138.10408	0.8
139.11200	2.5
145.10051	0.5
147.11676	1.3
149.13269	5.5
151.11176	10.7
151.14818	12.5
152.10722	2.5
153.12758	3.2
165.12802	0.6
165.16379	3.2
175.14812	22.3
176.15091	0.5
193.15874	18.7
198.33617	0.4
211.16907	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.31855	1.3
53.03955	1.6
54.47104	1.3
55.01877	2.6
55.05507	19.7
56.43427	1.6
56.96576	8.4
57.03426	4.9
57.07074	4.8
59.05006	14.0
67.05506	19.5
69.03416	7.1
69.06712	2.2
69.07069	31.4
71.04995	63.8
71.44637	1.8
79.05492	14.1
81.03416	8.8
81.07059	43.5
83.04989	7.6
83.08624	18.4
85.06557	12.7
88.46259	1.6
91.05475	10.5
93.07050	45.0
95.04952	5.0
95.08608	54.2
97.06540	24.9
97.10156	5.5
97.99165	4.1
99.04464	9.6
99.08103	12.8
105.07023	15.3
107.08594	37.5
107.09126	0.9
109.06510	4.7
109.10155	33.2
111.08102	9.0
111.11751	1.5
113.09641	2.4
115.07574	13.8
119.08582	30.1
121.10148	26.4
123.08082	12.4
123.11710	75.5
125.09632	11.4
127.07539	4.4
129.06995	2.6
133.10132	35.5
135.11694	83.1
137.09608	11.9
137.13254	5.3
141.09081	4.7
141.12718	6.0
147.11682	8.5
149.13274	13.8
151.14838	2.5
153.12755	17.4
155.10696	10.2
163.14799	2.5
165.12755	2.1
166.05145	1.9
167.14323	2.0
175.11162	2.2
175.14836	51.2
187.92096	1.5
193.12209	5.2
193.15875	21.9
210.01601	1.6
211.16930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75742	0.8
56.96553	2.8
59.50490	0.9
69.03436	7.5
69.07069	2.3
69.65630	1.6
69.66024	2.1
70.06568	1.2
72.08164	0.9
73.02885	0.8
76.43740	0.9
79.05449	0.8
80.05038	1.4
81.03400	2.0
84.08138	6.1
91.03901	1.1
94.06569	1.1
98.06030	3.6
98.22720	0.9
98.97580	2.0
99.40797	0.9
109.02848	1.5
109.10113	1.5
112.07606	71.3
118.17159	0.8
119.01941	1.7
140.05592	6.1
140.06540	1.2
146.33981	0.9
158.06628	53.7
159.06775	1.0
166.08507	3.4
170.06633	10.8
171.04324	1.2
176.07684	34.3
177.07695	0.9
184.09636	1.3
186.06067	1.0
188.07684	37.6
188.92450	1.1
189.00586	1.3
194.06644	2.2
200.07715	4.8
212.07639	100.0
212.11847	3.6
212.16418	3.3
213.07784	1.1
230.08734	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08323	0.6
50.36978	0.5
50.52247	0.5
52.41999	0.5
56.96546	1.1
61.51970	0.6
67.05476	0.7
70.06593	4.2
70.67390	1.3
73.37759	0.6
75.42644	0.6
81.07042	0.7
86.09699	1.7
88.07624	1.8
93.07028	0.9
98.97579	2.2
100.12056	0.6
110.07169	8.9
111.34568	0.6
116.98615	1.8
122.07137	0.9
130.96318	1.4
134.99663	1.1
148.97311	3.7
156.07631	1.4
168.52617	0.5
178.06168	0.9
188.92477	1.0
189.97623	1.5
190.03882	0.9
195.08768	0.8
207.98483	0.7
208.01355	0.7
213.07333	100.0
214.07692	0.6
214.10739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19852	1.5
60.55794	1.6
70.04424	3.2
70.04750	3.0
70.96278	1.6
107.16644	1.5
195.06398	3.2
196.04825	21.8
212.84195	100.0
213.07454	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03946	2.4
55.01887	2.8
55.05510	20.2
56.96566	1.6
57.03442	8.6
57.07080	4.3
61.14797	1.7
61.62799	1.6
63.17427	1.4
65.03969	2.4
65.98244	1.6
67.05507	72.0
67.05869	3.6
69.07074	20.8
69.48473	6.5
71.04995	6.3
72.28773	1.3
75.89536	1.8
79.05497	38.0
81.03424	3.8
81.07058	100.0
83.04982	6.9
83.08624	21.2
85.06554	5.3
88.07607	8.8
91.05485	22.6
93.07046	60.8
95.04984	5.9
95.08612	28.6
97.06535	11.8
97.10208	1.7
98.97591	4.4
99.08098	2.2
105.07032	6.8
107.08599	31.8
109.06561	2.5
109.10188	3.4
111.08071	7.6
116.98620	3.2
117.07035	10.2
117.43866	1.8
119.08556	2.5
121.06509	2.4
121.10140	18.9
123.11728	5.4
131.08574	10.8
133.10126	17.8
135.08141	3.7
135.09123	2.0
135.11688	13.3
149.13254	37.1
151.11150	2.6
159.11702	18.5
177.12720	10.9
195.13863	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03949	0.9
55.01871	10.8
55.02142	0.5
55.05511	49.5
56.05851	0.2
57.03439	1.2
57.07076	1.1
59.04999	1.8
67.05503	20.7
69.03426	6.0
69.07068	10.1
70.03909	0.8
70.06590	0.6
71.04992	51.4
72.05334	0.2
79.05492	15.0
81.03403	0.9
81.07057	22.2
83.04979	4.4
83.08618	33.1
84.76798	0.3
85.02901	0.3
85.06540	5.6
87.04472	7.5
88.07627	0.3
91.05482	4.6
93.07044	14.8
95.04983	1.0
95.08601	7.3
97.06530	75.7
97.10165	50.1
98.06906	0.3
99.08091	0.4
101.06006	0.9
101.09651	1.5
105.04499	0.4
105.07034	2.7
107.04958	0.3
107.08593	15.8
109.06515	1.7
109.10159	11.6
111.08088	3.3
113.05998	0.8
116.06279	0.3
116.98581	0.3
117.07019	3.1
119.08586	1.0
121.06516	1.8
121.10134	2.3
123.08085	0.5
123.11696	0.6
125.09630	30.4
126.09949	0.4
127.07552	0.4
131.08574	3.3
133.10118	3.2
135.08063	4.5
135.11696	4.4
143.08499	0.4
143.10658	0.9
147.11691	1.3
149.09581	0.8
149.13266	3.7
151.11142	0.5
153.09120	1.4
157.10077	0.6
159.11681	4.3
165.12810	0.4
167.14301	0.8
171.10190	0.6
171.11661	0.6
177.12733	6.2
177.16304	0.5
189.09494	0.3
189.11214	6.5
195.13799	37.7
196.14156	0.5
213.14842	100.0
214.15158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1488
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.47093	4.0
55.01881	4.8
55.05512	25.8
56.77222	4.3
57.03443	13.6
57.07061	5.2
67.05508	68.9
69.07068	29.1
69.25410	3.9
69.78693	10.0
70.06606	18.5
71.04987	11.6
79.05503	36.8
81.07059	100.0
83.04968	6.5
83.08633	21.5
85.06529	7.2
88.07632	10.1
91.05473	21.1
93.07051	63.3
95.04977	7.0
95.08598	23.4
97.06537	12.5
98.97607	13.9
101.04443	4.5
105.07057	12.8
107.08598	36.5
109.06553	6.7
109.10190	6.2
111.08119	9.6
116.98646	11.3
117.07041	8.3
119.08640	7.4
121.10160	14.8
131.08592	12.9
133.10172	16.5
134.99669	4.9
135.08138	4.9
135.11726	22.4
142.07802	6.2
149.13257	33.7
157.10129	9.7
159.11690	16.4
171.11717	7.1
177.12781	11.9
195.13858	8.0
213.09146	26.3
213.12595	10.2
213.16495	20.3
226.35452	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05506	18.8
55.39815	6.3
56.59113	5.6
57.03449	8.4
57.07092	9.6
60.87776	5.7
61.02896	6.1
62.29157	5.6
67.05505	53.4
69.07068	17.6
70.37639	6.1
71.04984	8.2
79.05108	6.3
79.05486	35.5
81.07054	100.0
83.04977	13.4
83.08619	21.9
85.06544	7.5
88.07667	17.1
91.05482	19.9
93.07046	49.6
95.04993	9.6
95.08609	27.6
97.06550	17.5
98.97570	13.0
105.07061	7.5
107.08605	25.8
111.08077	15.5
116.98643	19.1
117.07030	12.0
119.08611	12.8
121.10181	8.7
131.08592	8.5
133.10147	13.1
134.99707	9.4
135.11705	17.7
149.13251	31.4
159.11710	9.7
177.12778	14.6
195.13911	8.8
213.16502	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03918	2.2
55.01865	3.2
55.05509	49.6
57.03434	4.8
57.07073	8.8
59.04996	7.2
64.21942	1.7
67.05508	19.1
69.07067	100.0
70.06590	3.7
70.53032	3.5
71.05000	16.4
71.08607	2.1
73.06538	2.4
79.05479	12.8
81.07053	52.0
83.04974	8.8
83.08620	19.3
83.91960	1.7
85.06541	39.6
88.07647	3.7
91.05484	2.6
93.07046	34.2
95.08606	85.6
97.06503	11.2
97.10169	24.1
98.97558	3.7
99.08093	27.4
105.07063	4.3
107.08591	46.0
109.10159	34.1
111.08090	6.5
111.11721	12.4
113.09637	14.9
116.98710	3.4
119.08606	2.4
119.63103	1.8
121.10146	71.8
123.11715	14.1
125.09606	9.8
126.51849	2.0
130.96217	2.2
135.11681	37.0
137.13255	30.3
139.11176	11.7
142.07823	2.9
149.13257	8.6
151.14790	5.3
153.12718	10.5
155.92213	1.9
177.16386	86.9
195.17384	24.0
213.12637	2.6
213.16507	4.4
213.18513	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	214.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.3
66.81877	0.7
69.07067	6.8
70.06566	2.1
70.51168	1.4
70.51525	0.9
82.99821	3.9
86.09704	95.3
97.06525	8.7
98.60070	0.9
100.02464	1.5
101.00878	29.8
112.02457	1.2
113.00810	1.3
118.03529	6.4
119.01919	85.6
120.01965	0.9
129.06090	0.7
130.03459	2.9
131.01917	4.6
136.04532	1.4
137.01923	1.0
137.02960	18.1
137.04495	0.9
137.74561	0.8
142.03496	1.6
144.05048	2.4
144.08633	2.4
149.02998	1.3
154.03471	3.2
154.12354	0.8
155.05469	2.7
162.09729	1.3
168.08661	5.6
172.04530	3.5
173.02928	2.5
173.06583	3.1
186.09752	69.0
191.03983	2.1
191.07568	1.9
196.08188	2.2
197.06560	6.0
204.08968	1.5
204.10815	23.5
214.09229	41.9
214.14343	6.9
215.07605	5.5
215.09422	1.0
232.10292	100.0
233.08537	3.5
233.10724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1596
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01878	0.8
55.05513	2.5
57.07073	1.1
58.42497	0.4
61.02932	0.5
71.10093	0.6
73.02920	0.9
76.63055	0.3
83.04987	3.1
85.26958	0.4
86.06081	0.9
86.09707	100.0
87.04476	0.5
87.10022	0.5
89.06031	1.7
98.98447	0.8
99.04471	0.5
101.06021	1.3
111.04453	5.1
115.60376	0.4
116.10722	1.3
121.00788	1.5
127.07535	1.1
128.10718	50.0
129.05470	0.9
139.01833	1.9
144.02390	0.5
146.11702	0.5
155.07031	6.4
162.03401	1.2
170.11765	59.2
173.08083	4.9
174.14909	6.6
199.09578	0.8
216.15952	3.5
217.10741	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	216.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.05037	1.5
57.03434	1.6
57.21273	0.2
57.78290	0.2
58.06600	1.9
60.04506	0.2
64.03967	0.2
66.73869	0.2
67.05497	0.9
69.07048	0.5
70.06590	4.8
71.04983	1.0
71.06913	0.7
71.07356	0.3
72.07787	0.3
72.08159	4.7
73.08478	0.7
74.06064	0.3
79.05493	1.5
81.07055	3.1
82.06587	0.4
83.04951	0.6
84.08146	5.0
85.06528	0.7
86.09689	0.4
88.07643	1.2
91.05497	0.4
93.07059	1.3
95.04960	0.4
95.08591	0.5
96.08138	3.6
97.06494	0.3
98.06069	0.7
98.09679	0.7
101.00886	0.4
105.06989	0.7
107.08590	3.0
109.02931	0.2
109.06501	0.6
111.04442	0.7
112.07566	0.7
112.11250	0.3
114.09167	2.4
116.07076	1.2
116.98565	0.3
117.07420	0.5
119.01923	1.2
121.10149	1.0
125.09595	0.6
128.10664	0.4
131.08566	0.6
133.09998	0.2
145.03461	0.6
149.09610	2.2
152.10677	0.3
155.07031	0.4
158.08093	0.4
162.12845	0.4
167.10588	0.5
171.81258	0.2
173.08057	0.4
180.13835	1.5
189.02487	0.3
192.23691	0.3
193.00333	0.3
198.14891	26.7
216.15948	100.0
216.84975	0.3
217.06784	0.8
217.10751	0.2
217.12914	0.7
217.16257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1596
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
54.08690	0.2
55.01876	0.3
55.05496	0.9
56.05045	1.6
56.96556	0.2
57.03204	0.3
57.03435	2.3
58.02941	0.3
58.06597	2.2
58.47021	0.2
62.22305	0.3
67.05477	0.9
69.07047	0.7
70.06578	1.9
71.04970	0.6
71.07366	0.7
71.37066	0.3
72.08156	1.4
74.63506	0.2
76.68732	0.2
79.05491	1.6
81.07052	3.5
82.06581	0.5
83.04980	1.4
84.08138	7.4
85.06544	1.2
86.09697	2.2
88.07626	0.6
93.07041	1.5
95.04981	0.5
95.08595	0.4
96.08128	3.5
97.06524	0.7
98.06030	0.6
98.09690	0.4
99.04464	0.3
99.47543	0.3
101.00865	0.4
101.05969	0.3
103.00633	1.4
105.07009	0.8
107.08596	3.4
107.21885	0.2
109.06500	0.8
110.34717	0.2
111.04410	1.7
111.08097	0.4
112.07567	0.3
113.06059	0.4
114.09113	0.3
116.07133	0.3
119.01920	0.9
120.03261	0.5
121.01668	3.2
121.10146	1.4
127.07535	0.4
131.08543	0.7
139.02721	0.6
139.11195	0.4
149.09601	2.4
150.96944	0.2
152.10701	0.3
155.07027	1.7
162.12825	0.3
167.10689	0.8
173.08054	1.4
180.13835	1.8
188.07974	0.3
188.09471	1.3
189.02402	0.3
198.14882	29.3
199.15208	0.4
206.10619	0.3
216.15941	100.0
217.01965	0.4
217.10725	1.0
217.16241	1.2
233.98189	0.3
234.10133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05508	2.5
56.05027	1.1
56.96557	0.7
57.03434	0.9
58.02938	0.3
58.06588	1.1
59.56386	0.3
65.66095	0.2
67.05499	1.6
67.09638	0.3
69.07060	0.4
69.57152	1.0
69.57479	0.3
70.06596	8.1
71.04996	2.8
71.06939	0.5
71.07346	0.6
72.07790	0.4
72.08160	4.2
72.35883	0.3
73.08504	0.6
79.05503	1.7
81.06704	0.3
81.07063	3.3
83.04991	3.0
84.08144	4.6
84.99864	0.2
85.06563	0.7
85.08929	0.9
86.09702	1.3
86.55708	0.3
87.04457	0.3
88.07631	4.2
89.02412	0.3
89.06037	0.7
91.05485	0.4
93.07061	1.8
95.04935	0.3
95.08642	0.4
96.07565	0.5
96.08120	2.5
97.06516	0.4
98.06039	0.4
98.09694	1.3
98.23433	0.6
98.97581	0.8
99.04456	0.7
101.00876	0.9
101.06037	1.5
105.07012	0.5
107.04074	0.3
107.08591	4.1
109.06535	0.8
109.10143	0.4
109.29627	0.3
110.09663	0.4
111.04457	3.8
112.07587	1.7
112.11239	0.4
113.05972	0.7
114.09096	0.3
116.07080	1.2
116.98650	0.6
117.07421	0.8
119.01921	1.5
121.00804	0.4
121.10162	1.0
124.11204	0.3
125.09607	0.9
127.07542	0.6
129.05475	0.7
130.08644	0.6
131.08574	0.5
137.02991	0.5
144.05072	0.3
145.03502	1.5
149.09590	2.1
152.10759	0.4
152.14357	0.6
153.09128	0.6
155.07027	4.9
162.12770	1.0
163.04538	0.5
164.29001	0.3
170.11800	0.8
173.08096	4.1
174.06090	0.3
180.13838	1.1
188.03987	0.3
189.02422	0.5
198.14893	32.0
199.15108	0.5
207.03491	0.3
216.15948	100.0
217.10713	2.4
217.16234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.155
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03949	0.7
55.01872	0.7
55.05513	19.2
56.05016	0.5
56.96562	0.7
57.05822	0.8
57.96140	0.3
59.05002	0.8
65.52454	0.3
67.05508	0.5
69.03417	1.4
69.07068	0.4
69.77357	1.0
70.06594	5.2
71.04977	0.5
72.08158	100.0
73.02921	0.8
73.06557	2.1
73.08498	0.6
75.40284	0.3
79.05546	0.3
81.03411	0.7
81.07054	0.4
82.99839	0.4
83.04984	15.0
83.08610	0.5
84.05332	0.3
84.08144	2.5
85.01432	0.4
85.02892	0.4
85.06540	0.7
87.04491	1.0
89.02380	1.5
89.06037	3.8
97.02876	1.8
98.97593	2.0
99.04468	1.2
101.00884	3.7
101.06020	7.5
103.02469	1.3
111.04445	25.4
112.04805	0.3
113.05997	2.6
116.07083	0.3
116.98617	0.8
118.08648	3.2
119.01920	6.9
121.03513	0.5
127.02420	0.7
127.03883	0.4
127.07570	3.1
129.05476	3.5
129.06326	0.3
129.10274	0.4
130.08600	0.4
131.01898	1.0
137.02930	1.6
137.05962	0.7
145.03482	6.6
146.03635	0.3
147.01395	0.4
147.11362	0.3
155.07030	25.6
156.07407	0.4
156.97525	0.3
158.99733	0.3
163.04512	2.4
171.01479	0.6
171.14952	1.3
173.03020	0.5
173.08098	21.3
175.00847	0.6
175.08133	0.3
176.02344	0.3
183.92308	0.3
189.02446	3.0
191.03970	0.4
192.38913	0.3
193.00278	0.4
193.01906	0.3
199.09663	2.0
199.15421	1.6
207.03499	0.8
217.01976	1.0
217.10733	16.9
217.16330	6.4
234.99550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87517	0.9
53.03944	1.4
55.05511	12.2
56.05845	1.7
57.03426	5.5
58.06603	5.1
67.05490	7.1
69.07069	9.4
69.44306	4.1
70.06229	1.9
70.06590	24.9
71.04996	1.8
72.08135	1.6
78.86945	1.1
79.05496	3.6
81.07059	28.4
83.04973	4.7
83.08600	3.6
84.05293	1.4
84.08131	3.6
85.06532	2.0
86.06062	1.2
86.09708	2.0
87.04423	1.4
87.10052	1.5
89.06021	1.4
91.05452	2.3
93.07038	3.3
95.08611	12.8
97.10160	2.4
98.97562	1.6
101.05984	2.1
102.06341	1.1
105.07013	7.8
107.08592	2.4
109.06541	1.3
109.10104	1.2
110.18512	1.1
110.71444	1.0
111.04430	4.9
112.04800	7.3
116.98620	1.3
119.08591	4.2
121.10136	4.4
123.08071	1.6
123.11720	8.0
127.07546	2.6
131.54965	1.2
137.13264	4.8
147.11668	18.9
152.90265	1.4
155.07034	2.9
156.07379	9.5
156.24243	1.2
165.12772	7.8
173.08075	1.5
174.08429	10.1
182.15408	100.0
183.13904	2.4
183.15671	1.6
200.16460	97.1
201.14824	1.9
218.11092	7.3
218.17505	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12204	0.3
57.07071	5.7
58.06578	0.6
58.58736	0.3
62.06079	0.6
63.59783	0.3
70.06593	10.2
71.08631	4.2
83.04949	0.3
84.63992	0.3
88.07630	15.3
98.23595	0.7
102.09180	4.5
106.08669	7.9
106.09367	0.5
126.03100	0.3
156.17474	5.0
174.18529	0.7
200.20081	6.8
218.21146	100.0
219.21451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.9434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00800	1.1
69.77237	2.2
84.08140	7.7
120.62641	1.0
120.96634	1.9
129.10223	1.7
136.94017	100.0
154.94200	3.4
158.97263	1.1
172.95218	3.4
184.82378	1.0
219.17455	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75521	8.3
52.89323	6.9
55.05516	11.4
57.09083	9.3
66.45042	8.6
68.99504	8.1
70.11098	8.9
70.44022	8.0
70.58336	16.6
72.08157	85.5
79.65484	7.6
84.04514	9.9
84.08142	100.0
85.08513	8.3
112.84203	8.0
121.01661	10.3
121.04819	7.3
130.08693	11.8
207.19655	8.4
219.02626	28.4
219.17160	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06483	0.6
52.69209	0.6
54.11724	0.6
55.01870	5.0
59.01401	0.6
59.04984	0.9
60.04528	1.0
61.02930	22.2
70.24532	1.2
70.29990	0.6
71.01357	35.6
75.04483	52.0
84.99256	0.9
87.04472	18.4
89.02388	8.7
90.54129	0.6
98.97557	1.0
101.05992	1.0
103.03946	64.2
116.98653	0.9
131.03407	13.2
132.10184	0.7
145.15210	0.7
159.02893	100.0
160.03282	0.8
161.04501	1.2
187.02374	7.0
190.75656	0.6
219.04980	11.2
219.17430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69455	0.6
53.21226	0.7
53.64949	0.8
55.01870	4.5
55.25951	0.7
60.04530	0.9
61.02636	1.2
61.02931	20.1
70.24458	1.8
70.86935	0.7
71.01360	32.0
72.08098	0.8
75.04484	53.5
80.97603	0.7
84.99259	1.6
86.09721	1.1
87.04473	21.5
89.02411	8.4
96.54510	0.8
98.97607	2.1
101.06004	0.9
103.03947	67.0
112.41039	0.7
131.03406	16.2
138.20084	0.8
140.54857	0.8
159.02898	100.0
169.09598	0.7
177.00700	0.8
187.02394	11.6
219.05005	12.7
219.17491	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	3.0
56.96559	15.9
63.96886	2.7
69.58527	6.3
82.11635	4.0
91.18634	2.8
98.23553	5.3
107.15155	2.9
121.46552	2.9
121.91547	2.5
136.92159	6.8
154.93198	10.6
157.07593	3.8
172.94186	24.1
175.08490	3.4
188.04285	3.6
189.09177	3.6
190.95299	11.9
195.95882	6.6
203.14330	3.6
213.96948	4.9
219.06265	100.0
219.17438	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	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.6
56.96558	3.4
57.03426	1.0
67.05505	1.2
69.33472	3.6
87.67970	0.7
88.53159	0.7
91.05474	7.9
103.05447	1.9
115.05450	7.5
116.06220	2.3
117.07005	2.5
119.08562	0.7
128.06223	7.4
129.07001	33.7
130.07750	2.0
131.04950	6.2
131.08566	32.6
136.92125	1.3
137.05981	3.9
141.06989	32.1
143.04959	1.7
143.08536	1.5
144.05733	5.1
145.06496	6.9
146.07262	4.2
148.05240	1.2
154.93188	2.3
155.06023	1.3
157.06487	20.1
158.07274	17.9
159.04390	3.3
159.06734	1.6
159.08055	23.9
160.05238	3.9
161.06087	1.1
161.09604	3.0
163.07521	1.5
165.34396	0.8
168.05685	1.0
169.06465	13.8
169.07701	1.2
170.07291	5.6
171.04430	0.8
172.94243	6.1
173.06003	4.8
173.09587	0.9
174.06763	66.2
175.07545	11.3
181.07634	0.8
185.06055	1.1
186.06775	17.5
187.07523	1.2
188.08310	4.2
189.09100	91.2
190.09338	1.2
190.95348	4.3
191.07133	1.1
191.10651	8.3
195.95811	0.9
201.09094	33.8
203.14285	1.2
213.96860	1.7
219.10150	100.0
219.17282	5.0
220.10435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96558	2.6
57.03437	1.1
67.05502	0.9
68.52107	0.6
69.80025	2.6
74.86797	0.7
80.86442	0.7
91.05482	7.4
103.05461	2.0
113.24093	0.7
115.05460	6.5
116.06229	2.2
117.07015	2.2
126.38899	0.7
128.06216	6.7
129.07001	32.8
130.07790	1.6
131.04929	6.2
131.08562	31.0
133.10123	0.9
136.92197	0.9
137.05942	3.7
141.06992	30.7
143.04913	2.1
143.08539	2.2
144.05684	4.7
145.06477	4.3
146.07245	4.8
154.93181	2.2
155.06023	1.5
157.06470	19.1
158.07265	18.8
159.04396	1.0
159.08047	25.0
160.05191	4.1
161.05916	1.4
161.09598	3.4
163.07539	1.7
168.05785	0.9
169.06461	12.0
169.07681	1.6
170.07242	6.1
171.04378	0.9
171.07990	1.6
172.94252	2.4
173.05927	4.4
173.09575	1.4
174.06760	67.0
175.07521	9.6
186.06752	17.5
187.07495	1.3
188.08330	4.2
189.09099	87.3
190.09465	0.7
190.95290	1.8
191.10651	5.2
201.09091	35.9
203.14470	0.7
219.10150	100.0
219.17387	2.6
220.10411	1.2
221.98129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.7
58.73688	0.8
63.78572	0.8
70.72526	1.6
74.65776	1.0
91.05483	9.1
98.90266	0.8
103.03953	0.8
103.05453	2.6
105.07014	1.0
115.05437	6.9
116.06210	2.1
117.07008	2.2
121.10143	1.0
121.44852	0.8
128.06226	6.8
129.06996	33.0
130.07790	1.9
131.04933	6.4
131.08565	31.4
137.05977	2.1
140.27856	0.8
141.06985	30.6
143.04814	1.7
143.08540	1.4
144.05675	4.2
145.06442	4.6
146.06187	0.7
146.07190	4.4
148.05174	1.4
153.06960	1.2
154.93166	1.6
155.06015	1.5
156.05710	0.8
157.06473	19.1
157.07539	1.0
158.07263	15.5
159.04398	2.5
159.08047	22.9
160.05183	4.4
161.05986	1.0
161.09639	3.9
163.07544	2.0
169.06454	13.3
169.07700	1.4
170.07265	6.7
171.07980	1.1
172.94281	3.3
173.06026	3.6
173.09558	1.5
174.06757	65.4
175.07521	10.1
185.05946	1.1
186.06775	17.7
187.07474	1.8
188.08339	3.9
189.09096	86.7
190.09464	1.1
190.95335	2.6
191.10652	6.5
201.09093	37.0
203.14284	1.0
219.10146	100.0
219.17412	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.69700	0.7
51.96856	0.7
55.05503	1.8
56.96563	1.0
57.80985	0.6
58.76863	0.6
59.97166	0.9
61.39764	0.8
67.05481	1.5
69.14906	3.0
69.15329	2.0
78.52648	0.7
81.07056	0.9
91.05474	9.7
93.07056	1.4
97.06512	1.1
98.23512	1.3
98.97536	1.0
103.05460	1.3
105.07044	4.7
107.08585	1.4
115.05452	6.2
116.06195	3.1
117.06994	3.2
119.08550	2.6
121.10162	1.1
128.06224	6.6
128.45273	0.8
129.07001	27.8
130.07756	2.8
131.04921	5.0
131.08566	29.8
133.10120	4.3
135.63498	0.8
137.05988	2.5
141.06985	24.5
143.04915	0.9
143.08533	2.5
144.05685	4.3
145.06496	6.5
145.10124	10.7
146.07272	3.7
148.05159	0.9
149.05975	0.9
153.07030	0.9
155.06018	1.5
157.06468	14.7
157.07648	1.8
158.07268	15.9
159.04395	2.9
159.08049	20.4
159.11667	2.1
160.05162	3.9
161.06007	1.1
161.09596	3.4
163.07530	2.2
168.05743	1.0
169.06439	10.7
169.07664	1.5
170.07254	3.4
172.94208	0.9
173.05975	3.8
173.13254	3.0
174.06766	54.2
175.07487	8.7
175.08673	0.9
185.06021	1.4
186.06743	15.4
187.07417	0.8
188.08252	2.5
189.09100	69.7
190.09656	1.0
190.95293	0.9
191.07022	1.5
191.10687	4.9
201.09102	30.4
201.12659	1.1
203.14426	0.9
219.10150	100.0
219.13731	4.7
219.17297	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	219.1341
Annotation	Ser Leu
Peak:m/z	Relative Intensity
60.04529	100.0
65.32471	0.6
69.61646	1.0
69.61971	0.9
71.01352	1.6
72.08153	0.8
74.33453	0.5
75.04483	1.1
80.18393	0.4
83.20495	0.5
84.08136	0.6
86.09711	67.0
87.05605	3.5
98.97600	2.9
103.03959	1.1
103.53190	0.5
116.98621	1.5
126.09177	0.5
128.10721	3.0
129.38876	0.6
131.03395	1.2
131.26720	0.4
132.10210	53.5
145.07948	0.5
154.94243	0.6
159.02913	2.3
173.12866	26.9
201.12347	5.2
219.11278	1.0
219.13408	12.4
219.17389	1.1
237.88223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
55.05513	3.7
68.24032	0.4
70.07083	0.6
70.07415	0.7
77.03925	0.6
77.90267	0.3
79.05499	3.9
83.04984	32.8
91.05496	2.3
93.07047	19.0
95.04974	0.8
99.08071	0.7
105.07024	2.5
111.08110	0.4
119.08606	1.9
121.10146	100.0
122.10467	0.8
123.08006	0.4
133.11195	0.3
135.52969	0.3
219.17447	4.0
226.80768	0.4
237.38916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05509	0.7
57.07082	6.8
59.05006	5.2
63.36780	0.6
64.37926	0.6
67.05503	4.2
69.06262	0.5
69.07069	4.7
70.02952	6.2
70.20717	1.5
72.04515	16.7
73.02915	3.5
74.02429	1.2
82.41562	0.7
83.04958	1.3
85.06552	11.2
86.09714	1.4
87.08115	1.8
90.05555	100.0
95.04974	5.5
96.08140	1.4
98.02418	16.5
98.23432	0.7
100.03963	2.6
103.07579	7.2
113.06017	3.3
116.03452	14.8
124.07596	18.7
131.07001	1.0
132.88498	0.7
142.08630	8.0
152.60249	0.7
156.10210	1.8
160.09698	2.9
166.08690	2.2
174.11267	2.2
182.19786	0.6
184.09702	20.3
195.84564	0.6
202.10741	31.3
220.11800	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25024	0.5
51.00660	0.5
55.01865	0.7
55.05500	0.7
56.01386	1.0
57.07072	5.3
59.05006	4.5
60.22731	0.6
67.05508	5.8
69.07068	4.2
70.02962	6.6
70.71759	1.0
72.04516	14.7
73.02911	3.5
74.02441	1.3
83.04987	1.6
85.06040	1.1
85.06539	10.1
86.09702	1.9
87.08093	1.7
90.05555	100.0
91.67693	0.8
95.04979	6.8
96.08126	2.0
98.02413	16.2
100.03985	2.9
100.04545	0.6
102.92744	0.6
103.07601	7.2
113.06022	2.7
113.58024	0.5
116.03465	13.0
124.07594	15.7
131.07043	1.0
142.08646	7.3
143.63242	0.5
156.10208	0.7
160.09660	1.7
166.08621	1.9
174.11272	3.1
184.09700	20.4
202.10742	31.3
205.15875	1.7
220.11798	38.9
220.17787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.84266	0.6
52.96517	0.6
53.34742	0.6
55.01873	1.9
55.05505	1.1
56.01417	0.7
57.07083	7.2
59.05000	7.3
65.16932	0.6
67.05500	5.0
69.07068	5.1
69.61444	0.7
69.64032	2.2
70.02953	6.8
72.04515	16.2
72.04919	0.9
73.02924	3.9
74.02436	1.9
82.36322	0.7
82.97289	0.7
83.04968	1.6
85.06546	12.7
86.09718	2.7
86.68116	0.7
87.08103	2.1
90.05556	100.0
95.04959	8.0
96.08150	2.2
98.02415	19.7
100.03986	2.7
103.07585	8.6
113.06019	3.2
116.03456	14.8
124.06229	0.8
124.07592	19.9
142.08630	7.1
160.09698	1.8
166.08646	3.4
174.11253	2.3
177.69289	0.7
184.09700	21.0
202.10744	31.0
205.15909	1.1
220.11798	36.7
221.12135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.86892	0.2
69.36381	0.3
69.36743	0.9
81.07088	0.2
105.07007	0.2
114.43637	0.2
118.06546	7.7
119.07329	0.3
132.08090	2.2
133.08891	1.0
134.09642	0.4
139.99265	0.2
144.08028	0.2
146.09648	2.3
147.10400	0.5
160.11142	0.2
162.09145	5.1
176.10780	3.7
176.14349	24.4
177.11455	1.3
177.14684	0.2
190.12280	2.4
191.13184	0.2
202.15860	0.9
204.13835	0.3
215.72771	0.2
220.16965	100.0
221.17305	1.1
241.56047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72617	0.3
53.03954	0.4
54.92912	0.4
55.01873	43.7
55.32813	0.3
57.07084	0.7
59.05008	0.9
60.71457	0.3
71.23858	0.3
73.02917	100.0
79.05517	0.4
81.03423	0.6
81.07054	0.6
87.04469	79.3
89.02409	0.8
89.28721	0.3
91.05482	0.9
93.07043	0.7
95.04959	0.5
95.08611	0.3
98.23529	0.5
105.05502	20.0
105.06999	0.9
119.08579	0.8
120.08083	1.6
121.06670	0.4
130.05653	0.7
130.06538	9.3
131.08598	0.5
132.04471	2.1
133.10143	0.5
137.05983	0.8
142.07643	0.4
147.11690	0.4
148.07594	2.6
158.06015	2.9
161.04482	3.0
161.05716	0.6
161.09583	0.6
165.09186	0.4
171.02879	0.7
175.11156	0.5
176.07066	7.6
179.10625	0.5
205.15701	0.5
207.04932	0.6
221.11632	0.7
221.15190	0.6
222.07578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.96566	3.3
57.07080	5.0
67.05511	1.4
70.16368	2.2
72.93801	2.4
73.02898	1.0
81.07072	1.9
82.02934	2.2
86.29722	1.1
87.04485	1.0
94.06575	4.9
95.13283	1.1
98.97609	1.4
104.10759	2.1
130.06529	49.0
132.04451	34.1
132.05954	1.1
148.07681	1.2
148.97739	4.0
157.07608	22.9
158.06021	66.5
165.09073	2.0
166.98772	3.4
174.93777	1.2
175.08673	100.0
176.07092	2.3
186.05524	1.6
203.08232	2.3
204.06564	4.3
204.14459	1.0
205.15898	3.4
206.16307	2.1
220.17921	1.6
221.09235	28.8
221.11438	1.4
221.18721	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03941	2.4
54.76286	0.8
55.01860	1.9
55.05508	2.5
57.06267	0.8
57.07072	1.7
57.26142	0.8
59.05013	7.0
65.03916	1.7
66.72057	0.8
67.05499	3.3
69.03431	5.7
69.07079	4.3
69.60452	1.9
69.60848	2.0
77.03905	4.2
79.05499	19.7
81.03436	1.0
81.07058	65.0
83.04971	8.1
84.76777	0.9
85.06542	2.7
87.04465	1.4
91.05479	31.3
93.07044	45.1
95.04966	12.0
95.08594	1.9
99.97136	0.9
101.06014	1.5
105.04504	3.7
105.07027	13.7
107.04963	16.3
107.08609	7.9
109.05760	0.9
109.06513	19.2
111.04506	1.0
113.06016	3.2
115.05473	1.1
117.07005	2.6
119.04944	45.7
119.08584	12.0
121.06522	4.6
121.10128	3.1
123.08055	2.2
125.08539	0.8
127.07558	1.8
129.06989	2.2
130.07826	1.1
131.08534	1.8
133.06516	4.7
133.10127	13.5
135.04442	1.6
135.08017	4.5
135.11653	7.8
137.05980	100.0
138.06339	0.9
142.07784	3.3
143.08531	1.1
145.06485	1.5
145.10095	7.0
147.08058	2.5
147.11690	19.0
149.09624	1.5
151.07538	2.7
151.11223	2.0
157.10112	5.9
158.23265	1.2
159.08073	1.4
159.11798	1.3
160.08809	2.5
161.09599	6.8
162.10356	1.1
163.11145	5.0
165.05463	2.0
173.09685	1.0
175.11185	24.3
179.10663	8.9
185.09624	1.9
188.08313	1.4
191.10643	6.8
193.12238	21.2
203.10660	13.2
205.71576	0.8
221.11719	61.8
244.96689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03940	3.7
55.01863	1.2
55.05511	8.4
55.82986	0.8
59.04985	1.0
65.03923	0.9
66.78310	0.8
67.05503	11.5
69.07069	10.3
69.57899	2.7
71.04987	2.9
73.06546	1.0
77.03926	3.5
79.05494	50.1
81.07057	30.6
81.24785	0.9
81.49744	0.8
83.04970	1.3
83.08626	5.6
85.06545	2.9
87.04462	1.4
91.05476	35.5
93.07044	100.0
94.07356	1.0
95.04976	10.6
95.08613	15.3
97.06519	2.1
98.97585	2.6
105.04505	5.5
105.06347	1.3
105.07034	28.2
107.08593	63.5
109.06518	5.3
109.10117	1.5
111.08051	1.3
116.98615	1.3
117.07021	4.1
119.06062	1.6
119.07738	1.7
119.08578	28.5
121.06509	2.0
121.10152	15.7
123.08082	3.7
127.07520	1.5
128.06224	1.3
129.06999	2.7
131.08530	4.5
133.10107	8.1
135.08032	2.1
135.11646	1.2
137.09613	0.9
143.08562	5.4
144.09311	1.0
145.10109	1.3
147.08032	3.0
147.11685	3.4
157.10117	3.3
159.11690	7.1
161.09601	3.7
161.13255	26.3
162.13672	0.9
165.09109	1.3
175.11162	4.5
175.14801	5.6
185.13242	15.0
196.57269	0.8
198.98943	0.9
203.14326	10.5
221.13225	1.9
221.15370	30.2
243.25339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69428	0.6
69.74841	1.3
71.07350	0.9
77.48957	0.5
84.06065	0.6
86.09710	9.2
90.16611	0.6
91.49063	0.6
98.22605	0.8
101.00892	1.0
102.50330	0.7
119.01933	2.7
120.95396	1.8
138.96405	9.8
153.14415	0.6
156.97482	100.0
157.97615	1.2
162.95567	6.4
174.98538	77.6
175.98732	0.6
178.32112	0.6
179.99031	4.2
180.97514	2.0
198.00127	1.1
198.98529	28.1
199.00117	1.5
206.28241	0.7
216.99586	58.1
217.12354	0.6
222.00229	0.6
222.00583	0.8
222.02966	8.2
224.28598	0.6
240.01254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
54.58294	0.4
55.01871	2.0
56.02206	1.4
59.10289	0.4
59.49086	0.4
66.92310	0.4
68.38682	0.4
70.06593	1.0
71.05016	0.4
71.43369	0.5
73.02919	4.1
74.03262	2.9
81.07083	0.7
87.04472	3.2
88.04808	3.0
91.05476	0.5
98.97588	1.5
105.05540	1.0
106.05852	1.0
106.06561	0.6
107.08662	0.4
116.98631	1.4
118.06535	0.6
119.08611	0.4
120.08109	10.9
121.06463	0.5
130.06532	100.0
131.06894	0.9
132.04459	16.4
132.05467	0.9
133.81494	0.4
134.09636	0.6
134.99580	0.7
146.05998	0.7
148.07573	29.0
158.01309	0.7
158.06017	29.9
166.22708	0.4
167.49524	0.4
176.07072	96.0
177.07387	0.6
180.97888	0.5
198.98882	0.5
204.06540	2.8
204.13805	0.5
206.08981	0.5
216.99835	0.4
220.12836	0.4
222.07567	9.9
222.11078	0.4
222.14941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1078
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.05522	0.7
56.96548	0.8
57.07071	1.6
69.07063	1.0
70.90474	0.8
73.14979	0.7
73.64866	0.8
79.05492	1.0
91.05460	1.2
93.07059	2.1
98.98455	1.3
103.05459	3.1
107.04982	1.4
109.10123	0.9
120.08105	100.0
121.08423	1.2
121.10107	0.8
131.04918	1.2
139.96646	1.0
145.14052	0.7
149.02338	17.8
149.05913	1.2
166.08635	31.8
167.04678	1.0
177.10255	11.8
194.94551	0.8
201.64246	0.7
211.15085	0.7
223.10855	3.3
223.17072	1.2
223.92615	0.7
225.04372	3.6
243.21857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.96307	1.8
53.03950	4.3
55.01876	6.8
55.05508	6.9
57.07071	3.2
59.04990	4.3
59.74038	1.7
60.95854	1.8
65.03936	2.1
67.05518	11.9
69.03430	7.1
69.07066	10.3
70.06576	2.2
70.41435	2.9
71.04986	3.4
79.05501	5.2
81.07072	9.8
83.04978	21.5
85.02903	1.9
85.06539	3.4
91.05483	38.9
93.07044	100.0
95.04970	26.6
95.08614	8.5
96.29152	1.8
97.06552	5.2
98.97598	2.8
98.98524	3.1
103.05478	4.0
105.03398	2.2
105.04526	5.1
105.07032	15.7
107.08591	18.4
109.06500	12.5
109.10131	2.2
111.04415	1.6
111.08094	6.8
113.06022	3.1
117.07028	9.9
118.69572	1.9
119.08569	11.3
121.02785	1.8
121.06507	95.9
121.10143	14.7
122.68976	1.9
125.09613	3.3
127.07583	10.6
129.06985	5.0
130.06589	2.0
130.07796	2.5
131.06871	5.6
131.08565	10.0
133.10149	4.5
135.08087	6.3
135.11734	6.4
136.81187	1.8
137.09621	4.4
139.07533	10.5
142.07755	4.1
144.09352	4.6
145.06541	2.4
145.10130	9.0
147.08096	3.4
149.02362	29.0
149.06029	2.6
149.09619	42.4
149.13274	2.7
153.09111	6.6
157.10129	6.2
159.08107	2.2
159.11702	18.7
161.09647	3.7
163.11180	10.6
165.09135	2.8
167.04741	2.1
172.08823	3.7
175.11188	15.2
177.07410	3.6
177.12708	8.6
179.10736	3.2
187.11205	15.2
193.12178	2.1
205.12209	19.8
223.10999	3.7
223.13190	27.3
223.16634	2.0
225.04190	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03945	4.0
55.01865	5.6
55.05513	8.3
57.00891	1.1
57.07064	2.7
58.58582	1.2
59.04997	5.7
66.73811	1.2
67.05506	12.5
69.03429	9.9
69.07071	6.3
69.94749	4.3
77.03937	4.2
79.05476	7.8
81.03383	1.5
81.07058	6.3
83.04978	21.4
83.08620	2.5
85.02908	1.4
85.06582	1.6
91.05476	32.4
93.07043	93.9
95.04967	23.2
95.08592	7.0
97.06536	6.8
101.06032	1.5
103.05470	3.9
104.52096	1.2
105.04517	4.9
105.07019	16.3
107.04952	2.8
107.08576	13.7
109.06511	8.0
109.10163	2.6
111.08089	5.9
113.05976	1.4
117.07024	5.6
117.37282	1.3
119.08598	8.7
121.06503	100.0
121.10127	15.0
123.08061	2.3
123.11748	1.5
125.09605	3.1
126.22499	1.3
127.07544	10.5
129.07011	6.2
131.04955	1.4
131.08536	9.8
133.06482	2.0
133.10127	4.6
135.08072	5.9
135.11681	5.0
137.09622	2.6
139.07530	7.5
143.08582	1.8
144.09322	4.4
145.06497	4.2
145.10121	9.8
147.08063	4.4
149.05974	3.5
149.09599	36.7
149.13181	2.5
151.11133	2.2
153.09097	7.7
157.10117	7.7
159.08035	1.7
159.11681	17.1
161.09630	3.9
163.11159	7.5
172.08852	4.2
175.11171	17.7
177.12749	7.5
179.10657	2.8
181.12270	1.3
187.11171	17.0
192.18594	1.5
193.12233	3.1
205.12231	17.4
223.13272	32.6
224.32729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.78563	0.6
53.83700	0.6
54.99166	0.7
55.01871	1.8
55.05512	4.8
57.07063	1.0
59.04996	1.6
62.33904	0.7
65.03941	2.0
67.05498	5.5
69.03433	18.5
69.07058	2.0
69.37619	2.9
70.96271	0.7
79.05502	5.1
80.25008	0.7
81.03433	1.3
81.07063	8.7
83.01308	0.7
83.04983	6.3
85.02898	2.6
85.06532	0.9
87.04471	29.7
91.05477	19.3
93.07046	14.3
94.04160	0.7
95.04973	6.9
95.08601	3.1
97.02899	1.3
97.06529	2.1
101.02373	3.5
103.05466	1.0
105.07027	7.9
107.04946	2.7
107.08606	8.9
109.06523	52.9
109.10167	8.7
110.07318	1.2
111.04446	3.1
111.08083	2.9
112.99858	0.8
117.07002	2.8
118.76814	0.7
119.06059	5.4
119.08588	7.9
121.06511	50.0
121.10156	8.2
122.07303	8.5
123.08066	2.5
123.11700	1.5
125.06007	2.4
125.09630	1.7
129.07008	1.5
131.08591	1.7
133.10147	1.6
135.08051	4.6
135.11674	2.6
137.09619	100.0
139.03931	1.8
139.07593	2.6
144.09322	1.3
145.10117	3.3
147.08051	3.0
147.11694	1.5
149.02341	2.0
149.05980	9.0
149.09634	6.7
151.11224	1.3
152.28065	0.8
153.05516	0.9
154.06224	0.8
159.11710	5.5
163.07529	2.9
163.11176	6.5
165.12761	1.2
167.07039	1.6
172.08826	0.8
175.11174	1.5
177.12746	5.7
181.12242	1.0
187.11165	2.9
205.12263	3.9
223.13286	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97992	2.1
70.25197	4.7
72.88350	2.3
78.31189	2.3
86.09700	2.2
86.17356	2.1
94.37035	2.4
94.93021	21.4
112.89600	4.3
115.41901	2.2
158.97231	8.1
162.46919	2.4
176.98300	6.6
205.96191	13.3
206.94559	3.1
218.99406	5.7
223.97215	100.0
223.98976	4.1
226.43568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.7
56.05003	10.2
57.03426	20.9
60.52861	7.7
61.02923	12.8
62.06083	25.0
67.05514	8.4
70.06588	10.5
71.01343	8.9
71.36984	9.0
72.08140	15.1
73.02919	26.0
74.06079	15.9
75.02037	7.7
80.31875	8.9
83.01338	14.2
84.08152	28.4
85.02905	33.0
86.06059	28.3
86.09700	31.4
87.04452	29.4
89.02396	12.8
90.03802	13.4
94.92996	49.8
97.02891	15.7
98.97539	8.5
101.00893	18.8
101.02377	32.2
104.07107	26.9
115.03930	65.2
119.01939	29.7
127.03912	16.1
128.07085	10.1
129.01807	41.6
129.10272	12.6
131.01852	9.7
138.03450	10.9
142.03474	23.0
143.01881	19.9
143.03386	24.9
154.31952	8.7
157.01288	43.3
158.97211	8.7
161.03000	23.2
161.04451	37.2
164.09242	30.3
173.02960	20.3
177.64331	8.4
185.03065	7.7
189.03920	71.7
192.05579	19.7
199.39627	8.1
201.02483	9.4
206.10193	14.7
207.05049	12.6
223.97249	50.0
223.99535	14.6
224.01587	100.0
224.11023	52.8
224.95561	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13630	7.5
55.01875	19.1
57.03434	23.8
58.02963	9.5
70.21458	18.8
71.01323	9.0
73.02911	17.5
74.06042	12.7
81.65274	7.5
83.01324	9.6
84.08123	23.7
85.02895	19.3
87.04459	22.2
89.02377	12.4
94.93062	7.7
101.02377	36.8
111.00804	15.1
115.03963	60.1
127.03963	13.6
129.01840	100.0
133.04942	22.9
137.85466	7.8
143.03416	51.9
146.04501	17.0
152.82965	7.5
157.01303	50.1
158.44817	9.0
161.04451	64.7
189.03911	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71204	7.9
55.01869	18.7
57.03437	30.3
70.21522	20.3
71.01341	10.6
73.02925	19.4
74.06062	11.0
85.02914	17.6
86.06054	18.1
86.09732	9.6
87.04456	27.3
89.02338	11.4
94.93018	18.7
95.54689	8.8
101.02395	42.8
112.45420	8.9
115.03931	82.4
126.44871	9.1
129.01834	75.6
143.03386	52.8
157.01332	57.5
158.20912	8.8
161.03319	9.3
161.04437	56.2
171.02975	11.0
189.03975	100.0
204.62637	8.8
206.10197	11.5
207.05099	12.5
214.57703	9.5
220.45877	10.4
224.01770	17.2
224.11102	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	224.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	56.8
65.03951	1.6
69.52213	2.1
70.02959	1.1
73.02909	1.2
76.54419	0.7
88.03548	0.4
88.03991	26.4
91.05479	100.0
93.76024	0.6
101.62103	0.7
106.05027	75.4
119.04914	0.8
149.02350	1.0
150.02692	1.0
160.07536	1.4
171.74573	0.7
175.03923	1.8
178.08621	2.2
206.08081	4.1
207.06549	1.2
224.09213	3.5
224.13251	2.7
224.16524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43903	7.0
67.65321	7.8
70.49348	9.9
84.08136	8.0
98.97589	10.3
98.98473	8.8
101.00874	46.9
107.57690	6.8
110.07181	7.5
119.01922	100.0
124.02432	7.0
127.03896	11.9
137.02950	29.3
142.03482	70.4
157.97479	10.8
158.97235	49.5
160.04584	24.7
161.02972	30.2
172.00012	6.6
176.98244	38.3
178.57698	6.9
179.04033	43.1
200.98361	19.9
218.99515	14.6
219.99850	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32504	3.8
56.96534	6.8
70.49920	8.1
73.26914	4.9
84.08128	7.9
84.60198	5.0
99.22769	4.5
101.00879	32.6
109.02889	5.0
110.07162	4.9
119.01923	100.0
124.02453	5.8
127.03882	8.9
137.02985	23.4
142.03511	59.0
148.67148	4.4
158.97202	24.8
160.04524	11.0
161.02939	33.3
176.98259	24.1
179.04028	48.9
200.98175	22.6
202.05524	5.9
218.99425	9.7
219.99864	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43050	2.1
57.07074	3.2
60.71167	3.0
63.50583	2.6
67.02180	2.4
69.07088	2.6
70.06599	4.3
70.51057	3.1
71.04999	2.8
76.23786	2.4
79.05466	2.9
79.84293	2.6
81.12702	2.4
85.02909	4.4
93.72676	2.4
95.05022	2.6
95.08594	3.7
96.37230	2.3
97.06431	2.5
98.97594	3.4
101.00864	26.1
112.18604	2.5
116.98570	3.5
119.01920	100.0
119.02775	4.9
120.17268	2.4
136.56551	2.6
137.02951	34.7
142.03508	48.8
155.34937	2.6
160.03325	3.0
160.04579	17.0
161.02965	23.7
164.38512	2.7
166.04977	3.5
177.00945	30.5
179.04021	28.6
182.99548	3.5
184.04535	4.5
201.00797	6.2
202.05627	4.1
219.00014	3.2
219.01968	22.6
220.02266	3.1
225.12776	4.6
229.41183	2.6
243.01819	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02372	0.6
55.01864	1.2
56.23188	0.5
65.03937	2.4
67.05526	1.0
70.61794	0.9
71.04980	1.4
76.03136	0.8
77.03933	1.1
78.53971	0.5
80.06290	0.5
81.07049	1.2
89.03895	1.5
91.05483	49.2
93.07028	1.3
95.04954	2.5
95.08591	1.1
97.06485	0.7
103.05483	1.7
105.03379	0.7
105.04464	0.6
105.07030	1.1
107.04955	0.8
107.08550	0.7
108.05737	0.6
109.06512	0.9
109.10133	0.7
117.03416	1.0
118.04165	6.4
119.04945	61.2
119.08570	1.0
121.02892	1.1
121.06516	1.0
121.10135	0.6
123.04453	1.3
129.03363	1.3
131.04933	0.6
132.02072	3.3
133.02832	1.3
135.04442	2.0
136.05168	1.8
137.05957	0.8
137.09496	0.7
145.02843	1.1
146.03607	1.9
147.04407	46.8
147.11711	0.9
149.02347	7.7
149.09616	1.3
154.01762	0.6
155.06992	0.9
157.03987	6.5
162.03099	0.9
163.03859	0.9
164.04684	6.0
174.03145	1.4
175.03914	74.3
176.04225	0.7
177.01869	2.8
179.07047	6.3
181.08586	0.6
183.06500	1.0
185.73450	0.6
189.12773	1.1
192.04175	24.8
193.04872	1.2
207.06528	100.0
208.06947	1.4
222.40746	0.7
225.07591	1.4
225.11073	0.9
225.14911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02383	0.5
55.01868	0.5
62.74307	0.4
63.02355	0.4
65.03927	2.2
67.05505	0.3
70.61592	0.4
76.03175	0.5
77.03941	1.0
79.05508	0.5
80.06278	0.3
85.02902	1.8
89.03922	1.5
90.04681	0.4
91.05480	42.6
93.31427	0.3
95.04974	1.5
101.03896	0.8
103.05466	2.0
104.02647	0.4
105.03360	0.4
107.04946	0.7
108.05743	0.7
117.03395	1.1
118.04156	4.9
119.04941	51.5
120.05338	0.5
121.02858	1.0
121.06493	0.8
123.04436	1.2
123.11694	1.0
125.06011	0.3
129.03369	0.7
131.04904	0.6
132.02051	3.7
133.02856	0.9
135.04398	1.2
136.05240	1.5
137.05989	0.6
145.02821	0.8
146.03612	1.8
147.04408	42.7
148.04774	0.5
149.02344	5.7
149.06032	0.4
150.03142	0.5
151.02788	0.3
153.05440	0.6
157.03966	4.9
160.01552	0.6
161.02330	0.4
163.03915	1.3
164.04694	4.9
174.03120	1.4
175.03905	75.4
176.04298	0.9
177.01813	2.4
179.07036	4.5
183.06512	1.2
192.04173	25.1
193.04855	1.6
207.06520	100.0
208.06847	0.6
213.88689	0.3
225.07516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
56.96569	22.6
65.60345	12.9
67.05502	28.5
69.03441	12.9
70.20138	20.7
79.05480	20.1
81.07052	71.3
83.08616	17.4
86.92184	14.6
91.05472	56.0
93.07034	31.3
95.08600	24.7
98.97552	20.0
101.95036	69.1
105.07039	31.7
109.06523	68.7
109.10143	26.7
111.04467	23.3
116.98640	27.6
118.78101	12.8
119.01928	17.7
119.08603	91.1
119.96068	28.2
123.04298	14.8
133.10112	41.9
137.09596	63.5
137.97002	22.0
147.08025	15.3
147.35243	13.2
148.75227	13.5
160.98746	37.2
161.09630	58.5
165.09134	26.7
178.99724	23.0
179.10678	48.6
189.09192	17.5
197.00764	14.4
207.10176	53.1
207.13693	15.1
225.14583	100.0
225.19646	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01870	1.6
55.05505	9.0
57.07071	3.6
59.05004	9.6
61.02929	3.2
67.05495	9.4
69.03430	12.2
69.07067	11.5
71.04992	5.7
77.03918	1.6
78.21240	1.4
79.05489	12.9
80.18762	1.5
81.03422	2.6
81.07060	21.9
83.04966	8.6
83.08613	5.7
87.04466	8.3
91.05469	17.6
93.06450	2.1
93.07044	41.1
93.63904	1.3
95.04401	2.5
95.04967	19.7
95.08604	22.0
97.06520	7.0
99.04452	4.3
101.06036	2.2
101.95033	1.5
105.07034	32.4
107.04951	2.3
107.08591	39.1
109.06527	12.8
109.10166	8.4
111.08088	5.8
113.06032	2.4
115.07595	2.2
117.07044	3.1
119.01955	1.8
119.04967	6.1
119.08586	24.3
121.06524	2.3
121.10149	11.8
123.08079	20.8
123.11701	3.7
125.05972	2.3
130.07759	1.4
131.08562	4.4
131.93703	1.4
133.06514	4.2
133.10127	14.3
135.08032	3.3
135.11708	5.0
137.05981	5.4
137.09616	6.0
139.11186	3.8
141.09108	2.7
143.08574	3.0
145.10143	4.7
147.04449	4.0
147.08051	6.3
147.11691	16.7
149.09662	8.1
151.07545	6.1
151.11185	85.4
155.07011	2.3
156.09334	4.4
159.11719	3.4
161.09648	6.5
161.13264	22.1
163.11182	5.1
165.09064	2.4
165.12749	32.8
171.11682	8.8
174.10443	2.7
175.03932	5.3
177.12729	5.2
179.07085	1.5
179.10612	2.0
179.14334	5.8
189.12740	26.2
207.06548	11.0
207.13797	100.0
225.14813	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05527	26.5
57.30634	10.8
65.11607	11.0
67.05506	36.7
69.07070	48.3
71.04983	58.3
71.44930	12.1
79.05495	37.7
81.03423	14.9
81.07026	59.3
83.04961	34.6
88.70857	13.5
91.05472	91.7
93.07040	52.6
95.04948	27.4
95.08626	62.0
97.06528	32.6
98.09692	17.1
101.95054	17.6
104.99277	33.4
105.07008	64.1
107.08589	42.6
109.06531	47.0
109.10144	45.4
110.37714	13.0
111.08092	34.3
115.07590	40.8
118.04170	12.0
119.01948	20.3
119.04955	48.5
119.08614	44.2
121.10154	37.3
123.08070	27.9
131.08507	15.1
133.06499	22.5
133.10124	32.7
135.07996	17.5
137.09618	55.7
141.05487	14.5
141.09026	22.2
142.03485	24.5
147.04431	28.7
147.08040	18.9
147.11688	32.7
149.09601	83.3
151.07483	24.5
151.11198	37.9
159.19662	12.5
160.64636	13.1
161.02896	13.9
161.09627	26.9
161.13281	52.8
163.11197	16.4
170.77078	11.7
175.03954	50.9
189.12761	65.9
197.16493	15.1
207.06465	69.6
207.13823	35.1
212.63626	13.4
225.10942	15.9
225.14706	100.0
225.16331	11.0
225.19691	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05512	5.8
57.07069	4.2
58.42743	1.5
59.04988	2.5
67.05194	2.6
67.05506	22.0
69.03417	2.4
69.07080	2.5
69.72149	6.9
71.04995	2.8
79.05486	2.5
81.07051	5.7
83.04977	6.0
85.02921	3.1
85.06543	11.4
91.05487	16.3
93.07027	8.4
95.04970	16.1
95.08602	100.0
97.06527	2.0
99.04469	3.9
105.07041	8.3
107.08578	11.4
109.06532	5.1
109.10138	2.6
113.05997	7.4
119.04930	14.3
119.08564	16.9
121.06496	1.8
121.10162	9.9
123.08066	37.3
123.11716	5.0
130.45995	1.8
131.08582	2.0
132.02020	1.9
133.10123	4.3
135.11694	10.6
137.09618	5.8
137.67155	1.7
139.07518	1.8
141.09116	3.4
147.04414	11.9
147.07942	2.4
147.11710	4.1
149.02412	1.8
149.09621	24.3
151.07507	2.9
151.14870	2.0
153.09140	3.2
157.04024	2.5
161.13249	9.0
163.11205	3.1
165.12776	5.2
174.10406	2.6
175.03873	23.3
179.14348	3.4
189.12740	8.8
192.04135	7.9
195.58368	1.6
207.06519	28.0
207.13751	12.4
225.14798	5.2
227.93631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03949	1.9
55.01867	3.0
55.05516	10.8
57.03428	2.5
57.07067	4.1
59.05011	4.8
61.02927	1.1
63.56472	0.8
65.03927	2.2
67.05160	1.8
67.05504	26.0
69.03431	100.0
69.07072	16.4
71.05000	5.8
77.03898	1.0
79.05490	21.6
81.03420	6.0
81.07056	43.5
83.04982	9.8
83.08630	3.6
85.02894	2.7
85.06541	2.0
86.09637	0.9
87.04458	4.2
91.05479	13.9
93.07048	27.6
95.04410	1.5
95.04971	17.7
95.08012	1.9
95.08606	27.7
97.02888	2.1
97.06526	9.4
99.04470	2.6
103.05464	1.3
105.04523	1.2
105.07030	59.6
106.07316	0.9
107.04960	3.9
107.08595	22.7
108.65037	0.9
109.06521	31.8
109.10155	14.2
110.07307	3.1
111.08085	10.5
115.05384	1.0
115.07552	1.9
117.07020	4.7
119.04965	1.2
119.08583	33.4
121.06486	6.7
121.10141	26.5
122.07287	6.3
123.04434	18.1
123.08065	16.2
123.11710	5.3
125.06029	1.1
125.09630	3.3
129.07001	3.0
131.08627	5.6
133.06488	15.7
133.10132	60.6
134.10439	0.9
135.08055	4.4
135.11687	5.6
137.06009	7.4
137.09619	45.0
137.13268	1.4
139.07538	1.2
139.11183	22.2
141.09085	1.6
143.08572	3.7
144.09372	1.0
145.10107	7.4
147.08049	9.6
147.11690	38.8
147.12869	2.0
149.09633	7.4
151.07561	10.6
151.11174	27.0
153.09125	1.9
155.08485	1.3
156.09352	10.9
159.08084	4.2
159.11699	6.7
160.08871	1.9
161.09607	6.4
161.13252	21.2
163.11191	11.8
165.09109	1.4
165.12717	3.6
167.10692	1.5
171.11690	15.2
174.10406	11.3
177.12784	4.3
179.14299	2.1
189.12741	36.6
207.06496	2.0
207.13799	53.9
225.14801	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.98616	1.7
55.05504	5.7
59.04997	10.5
67.05506	10.6
69.03422	10.0
69.07072	6.8
69.71806	5.8
73.54847	1.8
73.55315	1.7
79.05486	10.3
81.07058	19.4
83.04996	5.0
83.08620	2.6
87.04465	9.8
90.84264	1.8
91.05491	11.5
93.07046	41.2
95.04970	3.1
95.08594	13.5
97.06520	3.1
98.23476	3.2
101.06044	2.6
105.07022	33.1
107.08589	28.7
107.09254	2.6
109.06516	8.8
109.10178	7.1
111.08070	4.5
117.07063	2.7
119.08553	16.8
121.06493	2.2
121.10151	7.0
123.08082	12.0
123.11694	3.4
131.08603	4.2
133.06517	3.2
133.10135	6.8
137.09616	1.7
139.11270	2.5
141.09126	2.5
143.05600	1.7
145.10144	2.9
147.08006	3.5
147.11696	9.3
149.09651	3.0
151.07529	2.2
151.11168	100.0
156.09346	5.9
159.11717	3.3
161.09637	7.2
161.13271	15.5
171.11714	6.6
177.12784	4.5
189.12762	11.2
199.49039	1.8
207.13783	65.0
225.14955	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	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.8
57.07069	4.2
58.42743	1.5
59.04988	2.5
67.05194	2.6
67.05506	22.0
69.03417	2.4
69.07080	2.5
69.72149	6.9
71.04995	2.8
79.05486	2.5
81.07051	5.7
83.04977	6.0
85.02921	3.1
85.06543	11.4
91.05487	16.3
93.07027	8.4
95.04970	16.1
95.08602	100.0
97.06527	2.0
99.04469	3.9
105.07041	8.3
107.08578	11.4
109.06532	5.1
109.10138	2.6
113.05997	7.4
119.04930	14.3
119.08564	16.9
121.06496	1.8
121.10162	9.9
123.08066	37.3
123.11716	5.0
130.45995	1.8
131.08582	2.0
132.02020	1.9
133.10123	4.3
135.11694	10.6
137.09618	5.8
137.67155	1.7
139.07518	1.8
141.09116	3.4
147.04414	11.9
147.07942	2.4
147.11710	4.1
149.02412	1.8
149.09621	24.3
151.07507	2.9
151.14870	2.0
153.09140	3.2
157.04024	2.5
161.13249	9.0
163.11205	3.1
165.12776	5.2
174.10406	2.6
175.03873	23.3
179.14348	3.4
189.12740	8.8
192.04135	7.9
195.58368	1.6
207.06519	28.0
207.13751	12.4
225.14798	5.2
227.93631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74055	5.3
64.80699	5.4
65.72156	4.7
69.69728	15.6
70.06576	9.1
83.06100	12.8
84.04496	13.8
84.08147	100.0
93.04528	10.7
94.93019	7.4
95.02969	5.7
96.92822	10.1
98.12742	4.7
98.23386	9.7
110.07164	94.2
116.07092	7.9
136.08788	7.9
150.95602	7.6
151.82860	5.5
168.00572	36.3
196.85693	15.8
211.42569	5.3
226.86720	72.0
226.95325	8.8
227.07938	68.1
227.11633	11.4
227.13940	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
55.05506	2.7
55.28097	0.9
63.75683	1.0
67.05491	1.5
69.03439	1.4
69.07053	1.5
70.06580	1.2
72.93784	1.2
78.04707	2.1
79.05505	2.0
81.07030	1.3
83.08593	1.6
91.05482	6.2
93.07030	3.5
95.04971	3.1
95.08605	1.4
100.11261	16.2
100.11868	2.0
103.05464	6.4
106.04177	1.9
107.04962	3.0
109.06530	1.7
109.10201	1.3
114.25934	1.1
117.03288	1.1
117.91407	0.9
121.06517	9.6
122.03607	1.3
123.04440	5.9
124.05223	1.3
131.04922	5.8
133.02820	1.3
134.03622	1.4
135.08081	1.0
137.05995	8.5
140.04694	2.1
147.04402	1.4
148.05211	2.6
149.05968	13.8
149.07043	1.5
152.04683	2.0
155.07030	2.0
159.04427	3.6
163.03815	1.0
167.07037	100.0
176.04626	1.3
177.05466	25.1
180.07761	0.9
191.06956	1.3
209.08037	8.6
209.16605	1.9
227.09062	3.0
227.17624	7.4
240.25279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
53.03931	0.6
55.01871	5.1
55.05502	1.2
56.38256	0.4
56.61823	0.4
57.03404	0.5
65.03942	7.5
66.18010	0.4
67.05497	3.5
69.03426	0.9
69.07064	1.0
69.52124	0.8
69.52500	0.7
70.06574	0.6
71.05001	0.7
73.02917	38.4
79.05479	1.4
81.07035	0.8
82.04188	3.0
85.02907	4.3
86.09705	6.4
91.05487	1.6
93.03411	2.0
93.07050	1.4
95.04961	7.0
95.08609	1.0
97.06522	2.2
100.11255	3.0
105.04510	1.0
107.04984	0.6
107.08575	0.7
108.02102	1.1
109.10166	0.6
110.03633	3.5
111.04454	1.6
119.04926	0.6
121.06520	1.1
123.04428	8.4
125.02346	2.1
125.06019	2.4
125.09623	0.6
133.10132	0.6
138.03114	2.6
140.04678	50.6
141.05037	0.6
142.02612	0.9
149.05988	0.7
149.09537	0.7
153.05470	7.6
153.09091	0.9
155.07024	67.0
156.05412	0.5
167.05266	0.5
167.06982	1.9
171.06537	4.9
173.08087	3.3
179.07008	3.0
181.04948	100.0
182.05286	0.8
209.08078	21.1
227.09137	25.5
227.12578	1.8
227.17506	1.6
230.85736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03954	0.9
54.72506	0.7
55.01616	1.5
55.01872	22.4
55.05254	1.3
55.05508	13.7
57.03439	2.5
57.07061	1.8
59.04992	2.4
65.03943	2.0
67.05502	30.9
68.99776	1.9
69.03432	2.3
69.07064	7.4
69.78659	1.7
70.06596	0.8
71.04991	6.3
72.93773	0.8
73.02931	0.9
79.05045	1.1
79.05492	15.7
81.03415	1.4
81.07059	19.5
83.04984	54.6
83.08618	15.8
85.02894	3.3
85.06544	4.6
91.05484	14.6
93.03425	0.8
93.07044	22.7
95.04970	11.4
95.08610	8.0
97.06528	10.7
97.10155	1.8
98.23407	1.6
99.04443	5.6
99.08092	3.1
100.11258	3.3
101.02376	3.2
105.07034	3.9
106.10625	0.9
107.04940	4.6
107.08597	23.1
109.06542	8.4
109.10154	15.3
111.04443	100.0
111.08081	50.7
111.08688	0.6
117.07002	2.8
119.03362	1.0
119.08587	7.8
121.06506	3.0
121.10143	14.2
125.05971	3.7
125.09617	3.9
125.70471	0.8
127.07548	1.1
129.05466	2.0
129.07011	1.9
131.08563	8.2
133.10158	1.0
135.08066	4.2
135.11691	18.8
135.12656	1.6
137.05995	2.3
137.09657	1.5
139.07552	1.0
141.09161	0.8
145.10126	14.2
147.11655	5.0
149.09633	7.9
149.91139	0.8
151.07487	1.6
153.09099	12.6
153.12743	34.5
155.07016	1.1
155.08563	2.3
163.11183	49.2
167.07031	1.9
167.10616	1.5
169.08614	17.5
173.09618	10.4
181.12233	52.5
185.11696	4.9
191.10667	31.9
191.12416	1.6
191.14230	0.8
195.10165	13.5
209.11748	7.3
224.32176	1.1
227.10570	1.7
227.12752	15.7
227.17694	1.6
228.17412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03951	1.7
53.18447	0.6
55.01877	5.5
55.05259	0.9
55.05511	12.2
55.89396	0.6
57.03425	2.2
57.07058	0.8
65.03950	0.8
67.05514	13.2
69.03442	1.5
69.07076	7.9
69.39789	3.1
71.04988	2.8
73.02917	1.8
79.05496	24.6
81.03403	2.8
81.07060	21.3
81.07469	0.7
83.04984	3.8
83.08621	10.5
85.06528	1.2
90.92185	0.7
91.05476	6.8
93.07050	33.8
95.04976	6.7
95.08607	40.8
97.02888	4.6
97.06506	4.4
97.10152	1.5
99.04453	4.6
100.11255	2.7
103.05470	0.9
105.04498	0.8
105.07026	5.6
107.04951	8.5
107.08596	24.9
108.08949	0.8
109.06515	2.4
109.10165	3.5
111.04431	1.3
111.08068	1.2
113.05978	1.0
113.09628	0.7
117.07035	7.9
119.08574	9.6
121.06508	5.6
121.10144	10.7
123.57124	0.6
125.05997	3.3
125.09569	0.7
130.07774	2.0
131.08603	0.8
133.10123	2.2
135.08061	2.6
135.11694	45.6
139.07515	2.1
143.08490	1.1
145.10123	29.1
149.06003	0.7
163.11186	64.7
164.11540	1.2
167.07056	5.8
173.09569	1.6
177.05481	1.6
181.12247	16.4
209.11694	2.2
212.14473	0.7
227.12781	100.0
228.13071	1.2
228.17467	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01865	7.1
55.05512	32.7
57.03423	10.9
57.07063	8.1
59.04990	8.2
67.05495	33.2
69.03428	20.6
69.07058	28.0
71.04990	18.1
79.05490	27.7
81.03407	5.0
81.07058	53.6
83.04982	24.9
83.08614	22.4
85.06541	11.9
86.09702	48.8
89.03277	4.0
91.05487	19.8
93.07034	51.8
95.04974	14.6
95.08611	38.0
97.06528	8.5
97.10157	17.7
99.04447	9.9
99.08115	9.9
100.11246	27.3
105.07041	31.8
107.04927	8.3
107.08592	100.0
109.06544	24.2
109.10154	54.0
111.08077	15.8
119.08562	8.9
121.06524	25.6
121.10126	70.0
123.08084	25.1
123.11716	15.4
125.09635	41.5
131.08578	24.2
133.10149	39.8
135.08041	22.5
135.11676	14.0
137.09605	27.0
139.11188	15.9
140.10683	4.7
145.10159	9.2
147.11679	17.5
149.09625	54.6
149.13246	28.6
151.10046	5.8
151.11195	77.8
153.09094	8.0
155.07098	4.0
158.10965	6.9
163.14804	32.4
165.12848	3.9
167.07074	17.5
169.12198	9.1
173.13261	42.4
177.41078	4.7
191.14316	78.4
209.11670	5.6
209.15340	27.1
223.10628	4.1
227.08856	8.4
227.12833	22.9
227.16202	8.5
227.17934	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03932	3.3
53.59299	1.9
55.01865	2.2
55.05515	24.7
56.30602	1.9
57.03434	4.1
57.07072	8.0
59.05005	2.5
65.03928	2.8
67.05508	34.0
69.03439	36.7
69.06709	2.7
69.07070	40.9
69.26354	11.1
69.38439	2.2
71.04997	31.2
77.03905	2.4
79.05499	45.2
79.33851	1.8
81.03429	11.4
81.07059	55.8
83.04992	17.7
83.08614	19.0
85.06534	6.9
87.08102	2.1
91.05481	19.2
93.07050	47.9
95.04967	9.6
95.08609	52.6
97.06528	10.1
97.10185	19.4
98.23465	4.3
99.04453	2.6
99.08109	4.8
105.07039	21.8
107.04946	5.5
107.08598	100.0
109.06520	15.9
109.10161	41.4
111.08080	21.3
115.07568	8.6
117.07034	5.8
119.06051	2.4
119.08586	11.4
121.06525	14.4
121.10151	35.5
123.08043	10.1
123.11707	12.6
125.05998	2.5
125.09633	33.8
129.09109	6.4
131.08562	12.0
133.10141	16.2
135.08069	27.0
135.11717	11.4
137.09619	10.3
139.07555	3.4
143.10657	7.3
145.10155	5.5
147.11681	14.8
149.09659	19.1
149.13287	15.4
151.11186	31.2
153.09109	9.1
158.10962	4.2
161.13208	2.6
163.11171	3.4
163.14842	23.6
165.12769	9.8
173.13258	30.5
191.14294	42.5
209.15421	19.5
227.16429	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	228.1749
Annotation	erythrinan
Peak:m/z	Relative Intensity
69.07015	0.2
69.43250	0.1
70.06571	0.2
71.04951	0.2
81.07043	0.3
95.08591	0.2
98.23486	0.3
109.10081	0.2
134.69855	0.1
139.03928	0.1
141.20947	0.1
142.04193	0.1
156.08098	1.1
158.09622	0.3
162.49458	0.2
170.09636	1.0
171.10413	1.6
172.11162	0.3
184.11183	1.1
185.12012	1.1
186.12723	0.3
198.12794	1.7
199.13602	0.3
200.14346	0.3
212.14337	26.3
213.15111	3.5
213.16635	0.1
226.16025	0.3
227.16672	0.1
228.17471	100.0
228.23196	1.9
229.17781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01879	1.2
55.05508	10.2
57.03440	17.5
57.07080	1.3
59.05003	6.1
62.98258	1.1
65.03950	1.3
67.05505	100.0
68.05828	1.1
69.07076	3.1
70.06586	1.1
71.04987	3.7
78.52623	0.7
79.05491	1.8
81.07056	16.9
83.08622	7.0
85.06542	3.0
86.30410	0.9
88.07594	1.0
91.05481	6.4
93.07053	3.4
95.04979	1.0
95.08607	8.5
96.08933	1.7
99.08096	0.8
103.03939	2.4
107.08604	2.3
109.10155	83.8
110.10482	1.1
111.08087	4.2
117.06986	0.9
119.08572	5.3
137.09639	4.3
146.91833	2.0
147.11732	1.2
151.08640	2.0
155.10661	6.7
164.92918	1.0
173.11739	25.2
173.13223	1.6
176.15147	0.9
188.08401	0.7
211.10678	1.2
212.12630	0.7
228.23219	3.1
229.12115	1.8
229.14320	39.7
229.19540	2.4
229.23497	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03936	0.8
55.01879	0.6
55.05509	6.9
57.03434	16.2
57.07071	1.5
59.04994	3.8
65.03938	1.4
66.81678	0.6
67.05502	88.2
68.05822	0.6
69.07068	5.0
69.64270	2.4
71.04987	3.1
78.02988	0.6
79.05499	1.8
81.07052	13.0
83.08614	6.7
85.06549	2.9
86.06097	0.7
91.05467	5.2
93.07060	3.2
95.04987	3.3
95.08614	6.3
97.06522	0.7
102.07242	0.5
103.03915	1.1
105.07037	1.7
107.08598	2.6
109.10154	100.0
111.08085	3.3
119.08569	7.0
123.11700	4.0
127.11189	11.6
131.08612	0.8
133.10132	1.7
137.09610	6.7
143.08485	0.6
146.91792	1.3
147.11693	0.6
151.11201	1.1
155.10652	4.6
161.09612	1.5
169.12199	0.8
173.11732	23.0
179.10667	3.4
187.13493	1.0
196.56522	0.6
197.11726	3.4
211.13321	0.7
211.31454	0.6
211.33487	0.7
213.14687	1.7
228.23352	0.7
229.14342	28.9
229.17642	4.5
230.19032	15.1
249.08687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01878	5.5
55.02093	1.1
55.05506	4.6
57.03424	1.9
57.58138	0.8
65.03919	1.0
67.05502	23.4
69.06757	1.0
69.07068	10.4
70.06588	1.1
70.22526	2.2
71.04974	1.8
77.85352	0.9
79.05486	10.0
81.07056	43.4
83.04962	3.2
83.08634	5.9
85.06528	3.2
91.05479	22.9
93.07037	8.4
95.04966	4.5
95.08611	7.7
97.06532	9.0
99.08078	1.4
105.07028	25.2
107.04942	1.1
107.08593	8.2
109.06522	6.9
109.10132	8.2
111.04385	0.9
113.06002	2.4
115.07583	0.9
115.96438	0.9
117.07034	1.0
119.07745	1.5
119.08584	24.4
121.10148	15.1
123.08060	2.7
123.11703	24.4
127.07555	1.8
129.06996	8.3
131.08565	5.0
133.10136	7.4
137.09605	1.6
137.13245	1.3
142.07788	2.0
145.10155	1.8
146.91846	1.9
147.11682	79.4
149.09566	2.9
151.08578	0.9
157.10135	19.0
165.12753	35.9
173.11778	1.7
175.11180	18.6
175.43291	0.8
183.13811	2.7
193.12274	7.5
196.97578	0.8
211.13287	4.2
214.15717	1.0
220.72369	0.7
228.23470	1.4
229.14337	100.0
229.17886	3.2
229.23492	1.5
230.14677	0.9
230.19048	7.3
238.50764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01886	0.3
56.96568	5.2
58.06340	0.4
58.06602	5.5
59.07381	1.2
60.08168	6.8
68.05032	0.8
70.06593	33.3
70.30842	0.6
72.08168	1.0
75.55757	0.3
76.43441	0.3
79.60682	0.3
84.04494	0.6
84.08141	5.2
84.96015	0.5
86.09706	1.9
94.45274	0.3
96.08133	1.1
98.06051	0.7
98.97582	5.9
101.00903	0.5
109.06513	0.4
114.05544	3.5
114.09174	1.9
116.00212	0.3
116.07072	2.3
116.98621	4.9
119.01941	1.7
120.96623	0.3
124.07595	3.6
126.09145	0.6
134.02972	0.4
134.99699	1.9
140.03822	0.4
142.03484	0.3
142.08640	29.0
143.08997	0.3
158.04889	0.7
160.06444	1.0
163.97742	0.5
168.30087	0.3
170.04866	0.5
170.08127	1.4
178.07452	0.4
183.09827	0.4
183.11282	0.5
184.08180	0.5
187.09245	0.3
188.05870	0.4
189.04330	1.1
205.98810	1.2
206.06990	2.3
207.05368	0.5
212.07710	1.1
212.12880	0.4
224.08060	2.4
229.03223	2.6
229.10788	2.4
229.15477	100.0
230.06876	0.8
230.08772	1.3
230.15796	0.9
230.17766	0.5
248.08092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	31.3
61.15382	0.4
70.06586	1.6
70.83054	0.6
71.95264	0.6
72.96049	1.1
74.97614	0.4
83.97630	0.6
84.96017	0.7
86.06068	0.5
86.09704	4.1
98.97581	100.0
109.87835	0.4
114.09196	0.7
116.00235	1.9
116.98618	50.3
121.10098	0.5
126.02285	1.6
128.10692	2.0
128.98615	0.6
134.01239	1.8
134.99654	15.2
140.00209	0.6
140.03809	2.6
142.05400	2.5
142.08578	0.9
144.03322	0.8
153.00729	1.1
158.04884	3.5
160.06444	6.2
161.04871	0.4
170.04877	1.6
171.03296	2.7
176.05949	0.9
178.07477	1.0
184.04425	0.4
188.05965	2.9
189.04343	12.3
202.07533	1.1
203.05840	0.6
206.06990	8.2
207.05423	4.8
212.05888	0.9
212.16400	0.9
213.04401	0.4
224.08046	8.6
229.15413	1.5
230.06989	16.9
230.15685	1.6
230.17604	4.4
231.05453	2.5
248.08052	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95971	0.8
55.05511	6.5
56.05026	1.1
57.03439	4.1
57.07069	1.8
58.06611	3.8
59.05021	0.8
67.05505	15.6
69.07074	6.9
70.06593	21.6
71.04992	6.3
71.06931	1.2
72.08154	4.2
74.06058	0.8
79.05499	11.5
81.03426	1.1
81.06619	1.3
81.07059	12.6
81.66261	0.7
82.06583	2.1
83.04966	2.4
83.08630	3.7
84.04496	2.7
84.08147	6.2
85.06545	2.7
86.06068	3.6
86.09707	1.8
91.05483	7.5
93.07044	20.1
94.06557	1.4
95.04977	2.5
95.08597	15.4
96.08147	3.8
97.06522	2.0
97.10166	2.0
98.06064	2.5
98.09695	1.3
105.07030	3.6
107.04942	4.1
107.08585	11.5
108.30492	0.8
109.06503	0.8
109.10181	4.0
110.09708	2.0
111.08049	1.2
112.07659	0.7
112.11241	0.9
113.06022	1.6
113.09626	0.9
116.10710	5.5
117.07015	2.6
117.46729	0.7
119.08562	1.4
121.06496	2.7
121.10133	3.3
123.08094	0.8
123.11668	0.9
123.75071	0.8
124.11191	1.1
131.08580	2.4
133.10118	3.8
135.08110	1.0
135.11693	15.2
138.12775	1.1
139.07516	1.7
141.05434	2.2
142.08611	2.5
149.13248	9.7
149.14339	1.4
150.12775	1.4
151.11166	0.8
159.11664	3.6
166.15945	5.2
167.14334	1.6
168.17520	2.5
170.08177	1.4
177.12764	5.6
177.76959	0.8
193.61711	0.8
194.15417	18.8
194.17192	1.0
195.13771	2.9
196.66788	0.8
212.16451	100.0
213.16728	1.4
216.83315	1.1
230.10246	4.3
230.17514	53.2
230.21205	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.01862	1.3
55.05506	1.1
56.05041	0.4
57.03178	0.6
57.03437	6.5
67.05503	1.5
69.07061	2.3
71.04976	1.5
71.21707	0.4
72.08149	3.4
79.05492	7.5
81.07052	4.2
83.04984	7.6
83.08601	0.5
83.73423	0.3
84.08140	0.4
85.02897	0.5
85.06538	0.9
87.04436	0.5
91.05475	1.9
93.07042	11.7
95.04973	1.5
95.08602	2.6
97.06520	1.4
97.10163	0.4
98.09686	3.8
98.15573	0.3
99.04438	1.2
100.03584	0.3
104.21895	0.3
105.07030	4.7
107.08588	19.4
109.06489	1.5
111.08064	1.8
111.88099	0.3
113.05992	0.8
121.10139	12.7
123.08058	1.1
125.09595	2.2
131.08559	4.3
139.11177	5.7
141.09062	0.4
146.28888	0.4
149.09613	21.7
156.38860	0.3
167.10669	9.5
185.11737	0.7
212.16431	4.7
220.73412	0.3
230.17505	100.0
231.17836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05501	1.2
56.96551	0.5
57.03180	0.6
57.03437	7.8
58.06615	0.4
67.05502	1.7
69.07069	2.4
70.06577	0.6
71.04980	1.4
71.64037	0.4
72.08156	3.5
79.05490	6.9
81.07059	3.7
83.04981	6.2
83.08642	0.6
84.08108	0.5
85.02898	0.7
85.06535	1.2
91.05479	1.2
93.07044	10.7
95.04964	2.0
95.08603	3.5
96.08134	0.6
97.06502	1.0
98.09677	4.8
98.97633	0.4
99.04445	0.8
105.07049	5.2
107.08593	18.3
109.06510	1.2
110.66303	0.4
111.08112	1.8
113.06017	1.2
121.10139	11.5
123.08061	0.8
125.09616	2.1
131.08574	3.8
139.11176	5.6
149.09619	21.0
167.10683	10.1
185.11723	0.7
212.16507	4.8
230.17514	100.0
231.17848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1905
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
56.01472	0.1
58.74430	0.1
60.33267	0.1
67.05492	0.4
68.05836	0.1
69.51575	0.5
70.06596	0.5
84.08145	0.1
86.06071	0.2
87.04474	0.2
91.05463	0.1
98.06077	0.2
98.22707	0.1
109.10133	0.4
110.06010	0.1
110.10490	0.6
115.03920	0.2
119.08568	0.2
128.11580	0.2
130.06511	0.7
131.07300	0.2
144.08000	0.2
149.09641	0.1
158.09634	1.1
161.12015	0.1
163.03754	0.1
172.11209	1.2
173.12003	3.0
186.12750	1.1
187.13556	7.9
188.14392	0.9
198.11319	0.1
200.14333	1.4
201.15100	0.4
202.10507	0.1
202.15814	0.3
212.19908	0.1
214.15906	9.4
215.16661	1.8
230.19031	100.0
231.19356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
57.03435	13.0
57.07035	0.7
58.06594	3.7
59.04996	0.4
59.98106	0.4
66.37916	0.4
67.05507	7.0
69.07063	3.6
69.62082	1.2
69.62492	0.7
70.06563	1.3
71.04958	0.4
79.05498	2.2
81.07052	14.2
83.08614	2.2
85.06548	8.2
93.07026	3.1
95.08601	6.7
97.10165	2.3
99.08095	5.0
107.08589	4.8
109.10123	1.5
110.10535	0.6
111.11700	1.2
121.10136	4.6
123.11031	0.4
123.11722	3.9
125.09606	0.5
135.11708	3.1
149.13232	0.6
172.10327	0.4
175.84041	0.4
177.16385	8.7
194.19078	1.0
195.17480	2.0
209.70796	0.5
212.20087	100.0
213.18481	1.4
213.20335	0.9
230.17563	1.0
230.21156	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	100.0
70.59406	30.8
83.12489	16.3
94.92976	17.1
106.47839	18.0
108.93416	16.7
116.07101	22.0
117.53498	16.3
137.26129	17.4
147.96469	17.4
192.28375	17.2
221.77570	15.7
230.15735	48.3
230.17683	29.0
230.99084	23.7
246.39867	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36718	21.6
56.96572	48.1
66.56512	24.5
68.87267	22.1
69.61391	23.2
69.79396	89.3
70.06594	100.0
84.04489	24.7
84.08151	24.2
85.59406	21.9
109.13087	23.1
115.10808	23.4
119.01902	34.8
134.70782	26.4
192.28871	26.5
206.28105	25.8
226.18932	25.6
230.15752	54.3
230.99072	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25171	0.2
53.03954	0.3
55.05516	10.0
56.05029	0.4
57.05818	0.6
70.06599	0.3
71.23784	0.2
72.08160	100.0
73.08514	0.3
86.09711	6.0
100.28980	0.2
126.67878	0.2
132.10214	3.3
159.57428	0.2
185.16545	0.8
231.17044	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03952	0.5
55.05514	11.2
56.05042	0.2
57.05815	0.9
57.92935	0.2
60.66538	0.2
70.94212	0.3
72.08158	100.0
73.08487	0.3
77.95019	0.2
86.09715	5.1
132.10214	3.4
165.81636	0.2
185.16498	0.9
186.91612	0.2
221.65840	0.2
231.17007	3.3
250.81520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1706
Annotation	Ile Val
Peak:m/z	Relative Intensity
55.05509	1.2
69.07057	0.6
70.06614	0.3
70.10646	0.3
70.10977	0.6
72.08160	12.7
85.02902	0.3
85.08554	0.3
86.09711	100.0
87.10032	0.5
98.22699	0.3
98.97552	0.3
104.78918	0.3
114.09131	0.3
118.08670	3.2
175.17828	0.4
185.16464	2.7
231.17017	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	232.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27094	0.8
55.05507	9.1
57.03439	3.9
57.07075	1.2
58.06602	4.2
59.04990	0.7
59.98023	0.6
67.05499	7.4
67.83834	0.7
69.07063	14.8
70.06590	21.1
70.44894	1.0
71.04996	1.4
72.08144	1.2
74.06069	1.0
79.05482	4.5
81.07052	15.6
83.08611	4.9
84.04504	1.6
84.08132	4.1
85.06545	2.0
86.06075	1.1
86.09699	1.6
86.59261	0.7
88.12104	0.8
91.05478	2.1
93.07043	4.4
95.08604	22.8
97.06521	2.2
97.10173	2.6
97.32978	0.7
98.09673	1.4
99.08076	1.1
105.07016	3.8
107.08594	3.1
109.06559	0.7
109.10157	3.4
111.08057	0.9
111.11720	0.8
114.05567	1.1
119.08584	4.3
121.10155	2.6
123.08065	1.8
126.09136	1.1
130.08643	2.1
133.10136	3.5
135.11697	2.0
137.09615	1.2
137.13242	3.0
144.10211	1.3
145.10138	1.5
149.13307	1.6
161.13245	10.6
163.11116	1.5
168.10204	0.8
168.17456	2.0
173.09586	1.5
179.14293	5.6
186.11241	2.6
196.16962	93.6
197.15349	2.1
197.17262	1.5
214.18007	100.0
215.16423	1.8
215.18314	1.0
219.01370	0.6
232.19057	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	233.006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75795	9.1
56.96550	21.7
69.13952	9.7
70.06590	24.7
70.47287	9.0
70.88590	11.6
72.08138	14.9
74.06080	47.4
74.84090	9.3
78.95634	36.6
79.22118	8.5
83.96426	10.2
84.08141	11.4
86.09711	52.4
94.93026	100.0
94.94097	10.1
101.00897	14.4
119.01921	29.0
125.12285	9.9
133.03465	16.9
143.01906	10.7
161.02948	13.3
173.03104	12.4
190.91200	42.9
190.98730	11.9
191.04039	25.7
208.99660	15.0
217.10710	13.8
232.15384	10.1
232.92261	24.4
233.00639	14.8
233.04614	13.2
233.15013	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	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16484	5.0
56.81036	4.5
56.96574	7.2
65.29321	4.6
69.80348	15.5
72.08158	29.6
78.95654	9.9
84.08141	8.2
86.09709	100.0
94.93008	23.9
94.93513	4.5
156.49236	5.0
174.67043	5.6
177.07465	4.2
190.91168	8.2
232.15503	15.5
232.19003	5.3
232.92300	8.9
233.04260	12.0
233.06377	8.3
233.15408	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03944	1.5
55.01868	2.4
55.05503	2.9
57.07059	0.8
57.52037	0.7
59.58493	0.7
63.76565	0.6
65.03934	0.9
67.05506	5.9
68.99786	1.8
69.03429	7.4
69.07075	4.8
69.65102	2.6
71.04991	2.7
77.03957	0.7
79.05493	16.3
81.03423	0.9
81.07058	5.0
83.04988	2.9
85.06524	1.9
86.09693	0.8
87.00803	0.7
91.05477	14.9
93.07051	13.8
95.04392	1.2
95.04971	9.7
95.08614	2.0
97.06557	1.1
98.23404	1.0
99.04453	6.8
103.05468	0.9
105.04499	1.3
105.07034	31.5
107.04250	1.5
107.04957	20.1
107.08583	5.2
109.06519	4.3
111.04420	1.7
112.41510	0.7
115.05405	1.7
116.06274	0.9
117.06190	0.9
117.07019	14.8
119.04954	10.2
119.08575	10.4
121.06505	13.9
121.10147	3.7
123.08031	1.0
125.06033	1.7
128.06189	1.9
129.06998	5.1
130.07794	10.0
131.04913	1.7
131.08569	11.2
133.06483	3.9
133.10147	4.9
135.04419	1.4
135.08029	3.5
135.11763	3.6
137.05978	1.7
141.06990	2.2
142.07809	1.5
143.08583	6.9
144.09315	3.7
145.06502	7.1
145.10126	68.4
146.07228	0.7
147.08022	2.5
147.11702	5.4
148.08850	5.3
149.05969	1.9
151.07550	0.9
154.07785	3.8
155.08546	1.7
156.09338	1.2
157.10184	1.1
158.07256	4.8
159.08066	5.0
159.11690	18.3
161.06012	0.8
161.09656	1.5
161.13197	0.7
163.11183	100.0
164.11592	1.0
169.10150	9.1
171.11703	1.8
172.08818	3.1
173.09619	99.7
174.10043	1.5
175.07484	1.7
177.09164	0.9
177.12782	1.8
179.08557	1.8
182.07275	1.8
187.11179	37.6
189.09108	1.2
189.12729	3.6
191.10660	7.5
197.09604	6.1
205.12276	6.0
215.10674	30.9
217.10652	1.8
233.11723	31.6
233.15120	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05514	0.5
55.99842	0.3
56.05038	17.3
56.96571	1.1
57.03443	2.4
58.06602	3.9
70.94160	0.6
72.08158	5.3
74.06081	100.0
79.14684	0.4
81.06402	0.3
84.04517	2.8
84.08095	0.3
86.06080	0.5
86.09705	21.0
98.97610	0.4
101.07140	1.8
116.07103	1.0
123.07906	0.4
132.10204	18.5
134.08113	3.0
142.12312	1.1
143.11768	0.7
169.13365	1.9
173.08020	0.4
175.79848	0.4
187.14420	11.3
208.99673	0.6
215.13931	5.0
217.10725	0.6
233.14937	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	235.133
Annotation	Pterosin N
Peak:m/z	Relative Intensity
55.05513	1.6
67.05498	2.3
69.03425	1.1
69.07073	1.1
69.87224	0.9
69.87558	0.8
71.04990	2.5
77.03951	0.6
79.05480	3.1
81.07073	4.9
83.04981	14.5
85.06567	0.6
88.13477	0.5
91.05479	3.7
93.07034	2.7
95.04986	1.5
95.08602	1.7
97.06518	0.6
99.04452	4.2
101.06017	0.8
104.25577	0.5
105.07031	2.0
107.08586	2.3
109.06512	1.9
109.10116	0.8
111.04461	0.7
115.05481	0.7
117.07024	1.7
118.78936	0.5
119.08604	6.8
121.06505	1.0
121.10149	1.5
123.04395	0.6
123.08050	1.1
123.11694	0.8
128.06232	0.9
129.06985	2.2
131.08583	1.3
133.10092	1.2
135.08006	0.9
135.11638	0.6
137.05963	1.1
137.09596	2.6
138.06763	1.7
141.06972	1.3
142.07800	2.5
143.04916	1.1
143.08569	4.7
144.05685	1.2
145.06494	3.5
146.07246	0.9
147.08046	1.0
149.06071	0.8
149.09599	1.3
151.07549	2.0
151.11148	1.3
153.09109	3.1
155.08549	0.8
156.07339	0.6
157.06412	0.8
157.10098	1.6
158.07292	3.2
159.08063	9.6
159.11636	0.8
160.08791	1.4
161.05966	3.6
161.09650	0.7
162.06754	0.6
165.09125	0.8
170.07317	0.8
171.08060	10.7
172.08810	1.8
173.05986	7.2
173.09613	3.3
174.06816	3.9
174.08203	0.8
174.10446	3.2
175.07527	2.9
175.11192	1.0
176.08356	2.4
177.09114	1.8
179.10690	1.3
185.09621	2.0
186.10408	29.2
187.07544	19.2
187.11136	1.3
188.08322	26.9
189.09111	13.3
190.09875	2.3
191.10646	3.2
199.14812	0.9
202.09895	43.3
203.10402	0.8
205.12279	7.6
217.12238	100.0
218.11038	2.5
235.13255	5.4
235.16862	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	235.1329
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
55.14489	0.6
55.45260	0.6
57.07066	1.5
70.01424	2.2
70.61954	0.7
71.04986	4.1
79.05492	0.8
83.04960	1.0
91.05480	9.2
93.07054	1.0
104.06263	1.1
105.07035	0.7
107.08579	1.4
117.07034	6.6
119.08578	61.6
129.07011	3.6
132.05698	3.1
147.08047	100.0
148.08374	1.5
155.46906	0.7
156.07382	0.9
188.37776	0.8
193.18668	0.7
218.11095	0.8
233.98637	0.9
235.13278	2.9
235.16991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03955	2.8
53.71465	1.0
54.33031	1.0
55.05511	4.5
57.07081	2.2
67.05504	20.5
69.03426	4.1
69.07066	2.8
71.04990	4.0
77.03938	2.9
79.05493	28.6
81.07049	14.3
83.04982	16.2
83.08607	1.5
85.06514	1.2
91.05479	34.3
93.07042	100.0
94.07392	1.2
95.04956	10.9
95.08596	9.0
99.04423	6.5
101.06043	1.2
105.04502	6.0
105.07021	8.6
107.08585	20.9
109.06541	2.3
109.10159	4.1
111.04463	1.5
112.04758	1.3
117.07024	3.4
119.08560	17.7
121.06523	1.8
121.10139	42.1
123.11711	1.5
125.09639	1.4
129.07022	1.5
131.08589	3.5
133.10133	8.1
135.08090	3.0
135.11674	9.1
137.09634	4.2
143.08504	2.3
145.10072	2.8
147.08008	1.5
147.11714	2.6
149.09689	1.9
151.11186	2.1
153.09096	5.6
157.10175	1.9
159.08072	1.6
159.11606	1.4
161.09650	2.6
163.11218	4.3
171.08023	1.2
171.11726	2.1
173.13293	1.1
174.08553	1.2
175.11150	2.6
175.14857	3.9
179.10767	3.1
186.10431	1.6
188.08289	1.8
189.09143	1.6
189.16422	2.8
199.14835	2.8
202.09903	4.5
217.12256	10.7
217.15799	9.1
218.11070	4.8
235.13303	2.3
235.16888	22.5
251.47270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.02380	0.9
53.03955	3.0
55.01871	0.8
55.05507	1.9
56.23115	0.5
57.07051	0.7
65.03935	1.1
65.67050	0.4
67.05505	17.8
69.03398	0.6
69.07067	2.4
70.18324	1.0
71.04987	0.9
73.06559	0.4
77.03931	2.9
79.05495	27.4
81.03438	0.4
81.07052	6.8
83.04979	1.5
83.08615	1.3
85.06558	0.8
89.83050	0.5
91.03936	0.4
91.04633	0.7
91.05482	35.9
93.07044	100.0
94.07368	0.8
95.04972	10.8
95.08603	7.0
97.06560	0.8
98.22768	0.5
101.06036	0.6
105.04515	5.3
105.07042	4.8
107.05038	0.6
107.08598	13.4
109.06518	1.1
109.10168	1.9
112.04713	0.4
117.07023	1.8
119.08575	5.6
121.06499	1.3
121.09273	1.0
121.10144	19.6
123.08020	0.8
123.11723	0.5
124.62014	0.5
128.01639	0.5
129.07027	1.0
131.08575	3.2
133.09174	0.7
133.10136	5.7
135.08051	1.8
135.11717	3.2
137.09595	1.1
143.08589	0.9
145.10156	0.7
145.30676	0.5
147.11699	1.5
149.09633	1.3
151.11122	0.9
153.09131	1.1
156.07423	0.6
157.10170	1.4
161.09666	0.5
161.13274	0.6
167.10660	0.6
171.11714	1.0
173.13255	0.6
174.08476	0.8
175.14813	2.5
179.10567	0.6
189.12723	1.0
189.16386	2.1
199.14760	2.9
217.12260	0.5
217.15839	2.8
218.11073	2.0
224.65996	0.5
235.13225	1.0
235.16916	16.6
235.20552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.03936	2.9
55.05505	2.3
61.73810	0.8
67.05504	19.1
69.07054	2.8
69.51161	3.0
70.37524	0.9
70.71135	0.9
71.48329	1.4
73.45032	0.9
77.03928	2.6
79.05497	23.5
81.07061	3.7
83.04953	1.0
87.01401	0.9
91.05480	39.5
93.07044	100.0
95.04964	13.3
95.08610	3.2
101.06088	1.1
104.81433	1.0
105.04514	5.7
105.07018	6.1
107.08589	10.0
109.10178	1.4
115.62737	0.9
117.06974	2.0
119.08581	3.2
121.10143	15.9
131.08597	3.1
133.10120	4.3
135.08064	1.1
135.11697	4.0
157.10034	1.7
171.11700	1.3
175.11256	1.3
175.14867	2.4
189.16389	1.5
199.14795	3.6
217.15820	1.6
218.11058	3.1
235.16864	14.1
256.50317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03940	3.4
55.05507	6.9
56.32014	0.9
57.07072	1.5
65.03958	1.1
67.05163	1.2
67.05506	22.5
69.03428	13.9
69.07062	5.0
69.44741	4.3
71.04984	4.2
71.62022	0.9
77.03914	2.0
78.01327	1.1
78.88656	0.8
79.05493	32.8
81.07051	15.2
83.04987	17.4
83.08636	2.4
91.05480	36.8
93.07043	100.0
95.04978	12.5
95.08620	11.1
97.06538	1.6
99.04434	5.0
101.06020	1.7
105.04519	5.4
105.07040	8.2
107.04940	1.2
107.08594	17.8
109.06492	2.3
109.10172	5.0
111.08102	1.1
117.06986	3.1
119.08580	14.0
121.06509	1.5
121.10148	22.6
123.08062	1.9
123.11690	1.4
129.07014	2.2
131.08566	4.4
133.10135	11.4
135.08034	3.2
135.11716	5.9
137.09579	5.1
143.08560	1.8
145.10146	1.7
147.08029	2.9
147.11707	2.1
149.09628	5.0
151.11166	2.3
153.09067	4.7
157.10106	2.8
159.11743	1.8
175.11195	1.7
175.14819	3.8
189.12749	1.4
189.16365	1.7
193.08450	1.1
199.14867	4.4
217.15872	4.2
218.11096	3.2
235.16888	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0607
Annotation	8-Dehydro-3-deoxy-D-manno-octulosonate
Peak:m/z	Relative Intensity
54.84973	1.0
55.01874	3.6
56.96557	2.1
59.04997	2.2
61.02922	4.6
68.99787	2.4
69.03419	1.1
69.74724	3.2
70.06595	5.3
71.01357	70.6
72.08155	4.0
73.02910	2.2
74.06097	1.4
75.04481	15.2
78.95649	1.1
84.04504	1.2
84.08142	6.1
85.02901	2.0
86.09715	2.3
87.04462	1.9
87.31824	1.0
97.02908	1.4
98.97595	3.2
99.00820	2.8
99.09237	1.6
101.02371	4.1
103.03946	25.2
111.00820	3.4
113.02379	5.7
116.98655	1.2
117.01856	5.1
117.03775	1.8
119.03450	3.2
120.08103	2.7
125.02331	1.6
127.00285	7.3
129.01839	5.3
129.10289	2.6
131.03407	49.8
133.04962	5.8
141.01804	7.3
143.03398	3.0
145.01343	3.0
145.04971	11.6
146.06027	13.6
149.04524	1.8
150.05858	1.3
157.04976	15.4
159.02895	100.0
160.03250	1.4
160.75066	1.1
163.06023	2.3
173.04466	3.6
177.04018	1.2
190.98659	1.3
191.05557	9.4
219.05014	16.4
237.14751	1.3
259.67249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Stachyline B
Peak:m/z	Relative Intensity
59.41511	1.8
61.81035	1.8
66.31104	1.9
78.29150	2.0
80.73057	2.3
91.05475	3.0
96.10252	2.0
97.33582	2.1
115.05492	2.9
121.10166	2.9
128.06226	4.7
129.07005	20.4
131.04967	2.9
131.08545	18.2
135.07904	2.0
137.05905	2.7
141.06992	16.1
145.06468	4.1
146.07303	3.6
149.02292	2.6
150.89578	2.1
157.06534	13.2
158.07288	10.2
159.08011	13.3
160.05179	2.9
169.06494	6.7
170.07182	2.1
172.94203	3.8
174.06750	35.7
175.07487	3.8
186.06773	7.9
189.09100	55.2
189.10793	2.8
191.10661	5.5
201.09109	17.9
219.10156	100.0
227.21198	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	237.1236
Annotation	ALANYL-dl-PHENYLALANINE
Peak:m/z	Relative Intensity
54.99446	0.4
58.24366	0.6
68.93109	0.5
69.29922	0.5
69.64412	1.2
69.64803	0.9
70.84515	0.5
72.08155	0.8
79.05487	0.6
84.08160	0.6
93.07076	0.6
98.23401	1.0
103.05457	2.1
107.04987	1.3
120.08104	100.0
121.08418	0.9
124.34592	0.5
131.04968	2.7
146.05995	1.8
149.05981	1.8
162.31374	0.5
166.08638	64.2
167.09012	1.0
175.52080	0.5
191.11755	3.5
199.00536	0.5
199.22879	0.4
204.95773	0.5
237.12384	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05507	9.1
57.03447	2.0
57.07067	6.1
67.05511	8.5
69.07074	8.2
71.04992	100.0
71.46492	1.8
75.05802	1.6
79.05505	3.2
81.07058	18.9
83.04980	47.9
83.08598	3.2
85.06538	2.1
89.06030	28.2
89.12877	1.9
91.05473	6.1
93.07050	26.3
95.04944	5.5
95.08613	7.8
97.06518	4.2
99.04460	2.0
99.08073	2.4
105.07035	18.1
107.08591	14.2
109.06531	2.7
109.10159	9.8
111.04446	3.3
111.08066	1.8
116.00207	1.8
118.14262	1.7
119.08565	9.8
121.10142	25.5
123.08047	1.9
123.11715	3.8
127.11196	26.1
131.08566	6.4
131.45302	1.6
133.10130	5.2
135.11696	2.4
137.09666	2.3
139.11183	2.6
145.10124	17.4
147.11679	45.2
149.09637	7.9
149.13252	63.1
149.14449	3.0
151.11230	8.3
153.05461	3.1
159.11676	5.3
163.11140	2.8
177.09088	8.2
179.14325	8.2
181.12329	2.0
191.10614	2.4
201.16399	5.4
209.11702	14.5
219.15285	3.2
219.17438	57.3
237.14888	8.2
237.18523	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.86880	2.0
55.05503	8.1
57.07060	1.9
59.04985	5.7
67.05495	5.4
67.66439	1.7
69.07063	7.2
69.64686	6.7
71.04990	6.7
78.39339	1.8
79.05483	7.8
81.07054	38.1
83.08596	2.4
85.06544	10.2
91.05472	9.7
93.07038	43.2
95.08601	26.9
97.06522	6.5
97.10210	2.7
99.08062	2.6
105.07020	33.0
105.07712	1.8
107.08584	22.9
109.10159	12.4
111.08080	11.4
117.07050	3.7
119.08577	47.6
121.10146	100.0
123.08028	2.9
123.11656	2.2
125.09636	13.4
131.08553	6.4
133.10144	17.5
135.11641	4.2
139.11159	24.5
142.75768	1.9
145.10118	17.0
147.11693	2.8
149.13309	4.3
159.11684	37.4
161.13246	74.9
162.13583	1.7
163.11220	2.7
173.13225	4.7
175.14876	2.0
177.16357	15.4
181.12244	3.1
201.16373	44.8
201.18130	3.3
215.00377	1.6
219.17398	19.9
237.18462	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	238.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34377	2.9
54.96456	3.4
55.01867	5.4
55.05494	3.6
55.64391	4.0
56.96556	9.7
57.07063	5.3
58.06609	4.1
62.72544	3.4
63.73984	3.8
63.75695	3.0
68.96443	3.4
70.06585	17.6
71.07922	4.7
72.08146	11.0
76.93247	2.9
79.05493	6.8
81.07085	3.8
84.08131	18.8
86.09718	7.1
87.02737	3.2
87.04470	6.4
89.89043	3.2
98.97565	5.1
104.05829	5.3
115.03893	4.4
116.98621	8.0
120.08109	66.0
121.07642	6.8
121.08450	100.0
129.10197	4.0
134.99664	6.7
136.93155	20.9
137.26976	2.9
143.03421	16.9
146.06053	5.3
146.09644	4.7
147.06284	5.5
150.09059	4.8
154.94170	35.8
159.62770	3.2
164.03427	8.8
164.07083	3.9
172.95291	75.2
175.05962	8.0
190.96419	33.9
192.02907	7.1
192.06607	6.6
192.10226	6.3
196.91737	4.3
202.05077	4.3
203.05576	13.4
207.27362	4.0
214.96317	7.5
220.02357	16.9
220.13356	8.0
223.16611	3.3
228.54361	3.2
232.97247	12.1
238.04817	38.4
238.10623	7.3
238.14354	17.2
239.08907	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	238.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.9
55.05514	2.2
56.05039	2.2
56.96575	2.3
57.05816	1.6
57.07084	1.8
59.01363	1.8
62.13147	1.6
67.05499	1.6
70.06590	7.7
72.08156	6.9
74.06042	1.6
84.08158	11.2
86.09690	3.1
87.04473	18.0
98.97591	3.6
115.03943	20.5
116.98632	3.7
117.05467	7.4
120.08080	1.8
129.10201	4.2
133.04993	4.1
136.07625	1.5
136.93130	7.7
143.03404	100.0
146.09653	1.7
147.06494	3.6
154.93103	2.5
154.94168	11.9
157.04964	3.5
161.04468	9.1
172.95282	31.5
175.06026	32.9
175.07544	1.8
176.04024	1.7
177.48840	1.6
190.96370	10.7
192.06674	1.9
192.10275	5.1
196.91736	1.9
203.05504	87.2
214.96306	3.4
232.97423	2.3
237.15958	4.2
237.64388	1.7
238.04666	2.2
238.06909	2.9
238.10837	3.5
238.14355	4.3
238.16302	6.2
239.08846	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	238.1076
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
53.15210	0.4
55.12240	0.5
56.73592	0.4
57.07087	0.6
70.06598	0.6
71.44207	0.5
72.08149	1.0
73.96993	0.4
79.05502	2.1
84.08145	1.0
87.07130	0.4
89.06028	1.8
90.05550	0.7
91.05476	2.1
98.97636	0.5
103.05458	3.8
105.06346	0.9
105.07040	18.4
107.04948	1.6
108.41671	0.5
111.19873	0.4
115.05482	3.1
117.05762	6.3
119.07323	4.7
120.08103	1.5
121.08452	0.8
130.06528	6.6
131.04922	0.7
132.08095	84.2
133.08501	1.7
135.08057	4.6
136.93034	0.5
150.09171	1.0
154.94189	0.9
172.95273	1.6
178.08618	4.5
192.10199	100.0
193.10562	1.4
196.91869	0.5
222.49049	0.4
238.10745	9.0
238.14407	0.9
238.18112	1.5
239.08873	3.8
252.96333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.128
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03930	2.6
53.31006	0.8
53.41173	0.8
55.01860	2.0
55.05520	5.0
56.05024	2.9
57.03435	1.5
57.07074	1.3
59.05007	7.4
64.18683	0.9
65.03944	2.4
67.05500	7.9
69.03428	6.5
69.07076	10.4
69.15473	3.9
70.06550	1.3
71.04971	1.0
73.02935	0.9
77.03900	1.3
79.05486	15.7
81.07058	83.2
82.07399	1.1
83.04984	30.2
84.08162	1.1
85.02891	1.7
85.06534	6.3
86.09707	20.4
89.06009	2.7
91.05486	16.0
93.07044	28.8
95.04967	14.3
95.08592	3.8
97.02874	1.2
97.06529	24.3
99.04462	1.2
99.08054	1.7
101.06014	3.4
105.03398	1.0
105.04485	1.7
105.07034	11.0
107.04959	9.8
107.08592	9.2
109.06516	31.9
109.10160	6.6
111.04455	2.5
111.08083	1.7
113.05993	3.2
115.05460	1.4
117.07007	2.8
119.04929	7.0
119.08574	5.9
121.06497	6.9
121.10133	5.2
123.04437	3.5
123.08044	2.6
123.11656	1.2
125.06001	3.2
126.05481	3.2
127.07550	8.5
128.06287	1.0
129.05470	1.7
129.06989	2.6
130.07753	1.0
131.08598	1.8
133.06473	2.3
133.10147	7.1
135.08075	4.5
135.11691	7.6
137.05981	52.6
137.09613	8.0
139.07533	1.3
142.07773	3.5
143.08574	1.4
145.06458	1.4
145.10110	9.0
147.08090	2.0
147.11687	8.5
149.09608	1.7
151.07494	2.4
151.11160	1.8
153.09030	1.6
155.07040	6.8
155.08339	1.3
157.10139	5.4
158.07246	2.8
159.11693	2.0
160.08873	1.8
161.09627	6.1
163.07542	2.0
163.11157	2.8
165.05443	1.8
167.10678	2.0
173.09621	12.5
175.11186	12.0
177.12798	1.0
179.10626	9.4
181.12204	3.1
183.06606	1.9
185.09581	2.4
188.08401	1.4
191.10681	12.0
193.12260	12.2
203.10670	10.0
211.13385	1.1
221.11729	23.9
239.09102	15.9
239.12767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1279
Annotation	Stachyline D
Peak:m/z	Relative Intensity
51.02383	1.0
53.03937	1.7
54.28282	0.7
55.01862	1.6
55.05509	4.1
57.07081	1.5
57.79566	0.8
59.05013	6.4
65.03916	1.0
67.05506	5.6
69.03430	5.9
69.07073	6.9
69.70728	0.9
69.71051	2.4
77.03936	1.7
79.05042	1.3
79.05493	13.9
79.98879	0.9
81.07063	67.2
82.07372	0.9
83.04985	28.9
85.06551	5.6
91.05484	10.5
93.07048	22.1
95.04966	9.9
95.08603	2.2
97.06537	18.4
98.23407	1.0
101.06016	2.1
105.04517	1.3
105.07040	7.1
107.04966	6.7
107.08573	5.6
109.06528	29.8
109.10126	4.0
111.04425	1.4
111.08064	2.8
113.05984	3.2
117.07001	2.8
119.04948	8.0
119.05790	1.2
119.08591	5.7
121.06511	6.1
121.10154	4.4
123.04459	4.1
123.08043	2.1
123.11728	1.6
125.05992	3.1
127.07582	7.3
129.05481	1.1
129.06972	1.1
131.08551	1.0
133.06508	2.2
133.10138	7.0
135.04474	1.0
135.08105	3.6
135.11688	5.1
137.05984	44.0
137.09593	5.1
139.07530	2.0
142.07784	3.5
145.06482	0.9
145.10100	6.9
147.08066	1.0
147.11679	6.3
149.09637	2.0
151.07558	2.3
151.11177	1.9
153.09129	1.9
155.07065	6.9
155.08263	1.4
157.10144	3.7
158.07251	2.6
159.11668	1.6
160.08807	1.4
161.09627	5.7
163.07582	1.7
163.11157	3.2
165.05498	2.0
167.10661	1.7
167.39941	0.7
169.66251	0.8
173.09622	13.8
175.11208	9.7
179.10680	11.1
181.12276	2.6
183.06532	2.5
185.09604	3.0
188.08293	1.2
191.10672	13.4
193.12262	8.5
203.10664	10.0
221.11734	24.0
239.12788	100.0
240.13132	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33235	3.1
53.36742	3.3
68.50320	3.2
69.79781	12.4
102.80283	3.3
103.94706	3.6
138.96431	9.7
144.17708	3.1
153.16997	3.6
156.97475	100.0
156.98701	5.8
168.76176	3.5
170.80643	3.1
171.78093	3.8
174.98546	66.9
179.99069	11.8
198.00131	37.7
198.98520	54.4
205.94646	3.4
216.01227	29.1
216.99600	96.9
217.01688	6.1
239.08986	10.6
239.91966	4.0
240.00827	4.0
240.09248	4.3
240.13161	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	240.1595
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01870	7.1
55.05511	0.9
65.17381	0.6
67.05500	2.0
68.05019	2.7
69.03406	0.9
69.07068	14.6
70.02946	1.6
70.06593	17.0
71.04992	20.2
79.05482	3.4
80.05025	1.1
80.48898	0.8
81.07049	3.1
82.38609	0.7
83.04982	1.1
84.02129	2.0
86.06078	3.5
90.41805	0.7
91.05456	0.9
94.06561	1.9
96.04478	2.0
96.08125	20.2
97.05291	1.3
97.06551	1.5
98.06048	1.7
98.09696	8.9
106.06540	4.8
107.08569	1.5
108.08115	6.1
109.10139	1.4
120.08072	1.3
122.06021	9.1
124.07595	64.8
124.11212	1.6
125.08435	3.9
126.09192	1.8
134.06029	0.9
134.09666	1.3
135.08095	1.1
136.07594	1.2
140.07059	11.3
148.07574	1.2
150.12764	5.7
152.07094	3.9
152.10683	1.3
153.07864	10.0
166.08611	1.2
176.14328	3.9
194.15443	8.0
204.13841	6.2
209.30460	0.8
218.52951	0.8
222.14894	100.0
223.15192	1.5
240.15974	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	241.095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18584	4.3
56.96564	30.9
58.06593	7.3
67.05502	5.9
69.07092	5.3
70.06595	17.9
70.95695	3.7
71.05003	5.4
72.08156	4.5
81.07038	7.0
82.06567	3.2
83.06108	85.9
83.41376	3.0
84.04518	4.3
84.08141	13.8
85.06533	3.7
86.09713	5.3
93.07082	7.2
95.05004	4.9
95.08613	3.9
98.50930	3.4
98.97585	100.0
105.07027	4.0
107.04990	4.0
109.10180	4.9
110.07165	5.4
116.98623	71.2
128.03224	15.4
129.06593	4.0
130.01843	5.5
134.99672	39.3
149.68349	3.1
150.05524	19.7
158.01309	9.1
167.08234	5.9
177.00732	8.2
189.04158	5.5
195.01787	5.0
196.14481	10.6
197.12926	3.9
224.16560	5.2
241.06400	6.8
241.09258	10.3
241.11681	47.0
241.15414	52.4
241.99901	4.0
242.09966	4.8
242.14984	38.5
242.17566	36.6
258.99722	26.6
259.09686	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	241.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07957	1.5
53.03941	4.0
53.56011	1.5
55.01854	3.0
55.05505	4.8
56.18960	1.4
56.96576	1.6
57.03434	1.8
57.07072	3.0
58.80581	1.4
59.04991	2.8
63.11319	1.6
67.05496	9.1
69.03431	12.3
69.07083	4.0
69.78181	5.2
70.06611	1.8
71.04997	2.9
77.03896	3.6
79.05486	7.3
81.07050	6.0
83.04980	11.3
83.08614	2.1
85.06541	4.0
87.04451	4.3
91.05482	23.6
93.07047	78.1
95.04958	16.1
95.08610	6.0
97.06526	9.0
98.97585	11.0
103.05472	3.2
105.03358	1.7
105.04490	2.8
105.07029	12.2
105.61501	1.6
107.04950	1.6
107.08595	10.0
109.06525	7.7
109.10197	7.8
111.08093	6.7
116.98636	4.7
117.06998	4.3
119.08583	10.9
121.06512	100.0
121.10133	21.5
127.07552	9.2
129.07039	3.9
131.08571	5.6
133.10123	5.2
135.08044	2.7
135.11673	5.8
137.09631	12.8
139.07535	8.4
142.07767	1.5
144.09363	4.2
145.10104	3.7
147.08014	1.9
147.11684	2.1
149.06061	2.6
149.09615	41.9
153.09134	2.9
157.08641	1.9
159.11711	17.5
161.09624	2.1
163.07504	1.7
163.11142	7.3
167.06995	5.3
171.37924	1.6
172.08904	2.1
175.11134	12.3
177.00708	2.3
177.12718	9.8
179.10753	1.8
187.11185	7.2
196.31111	1.7
205.12263	20.0
221.07430	1.7
223.13242	7.5
241.14133	7.6
242.17493	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	241.1436
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03941	2.3
55.01890	2.2
55.05523	3.2
57.07075	1.9
59.16953	1.5
60.28308	1.3
60.89666	1.1
67.05505	6.1
69.03430	8.8
69.07064	2.7
69.91195	2.7
69.91582	2.4
77.03938	3.6
77.83612	1.1
79.05499	4.3
79.75076	1.0
80.65100	1.2
81.03400	1.5
81.07060	4.8
83.04983	9.4
85.06537	3.3
85.56746	1.2
91.05485	18.7
91.61680	1.1
93.07043	63.4
94.07378	1.3
95.04961	12.2
95.08590	1.9
97.06519	4.0
98.22729	1.4
98.97569	2.7
103.05465	2.1
105.04501	3.0
105.07030	4.1
107.08599	4.4
109.06516	5.9
109.10165	1.4
111.08112	3.7
119.08579	3.2
121.06505	100.0
121.10141	4.4
127.07558	7.6
129.07016	1.6
131.08554	2.3
133.10159	1.9
135.08067	3.0
135.11691	1.9
137.09602	3.2
139.07523	7.6
145.10141	1.9
147.08041	2.2
149.09644	7.2
149.13258	1.4
155.10660	1.5
157.08585	1.7
159.08070	1.2
159.11658	10.8
163.11221	1.6
167.07120	1.2
175.11168	3.8
177.12749	5.1
187.11183	3.4
193.12166	1.6
205.12228	15.1
221.07451	2.0
223.13300	3.3
234.90588	1.3
241.14198	1.4
242.17436	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01883	3.4
55.05508	9.3
57.03446	4.8
67.05509	12.6
69.03425	14.8
69.07065	7.1
69.58091	3.6
69.58414	15.4
70.06590	5.9
71.04994	13.6
71.33368	3.6
72.08163	12.0
79.05499	27.8
80.93858	4.4
81.07048	33.4
82.06588	13.4
83.04976	7.3
85.43510	4.2
87.04471	12.2
91.05471	35.2
93.07040	58.5
95.04983	14.0
95.08602	27.2
97.02850	4.2
97.06535	10.6
98.22727	4.3
98.97588	8.9
99.04463	16.7
105.07025	67.4
107.04947	6.6
107.08591	99.6
109.06512	22.6
109.10168	13.6
111.04440	3.8
115.05459	3.9
116.98602	6.0
117.07015	29.9
119.08585	37.9
121.06514	25.5
121.10161	33.4
123.08083	8.9
125.06022	4.3
128.06219	5.8
129.06998	14.5
131.08559	42.6
133.06506	3.8
133.10121	20.7
135.08066	15.2
135.11720	13.6
137.09622	40.5
142.07805	8.1
143.08554	6.0
144.09355	12.0
145.06451	5.7
145.10127	49.5
147.08052	18.0
147.11714	16.0
149.06023	5.4
149.09630	49.0
149.13292	10.2
155.10690	9.1
157.10162	38.3
159.08084	15.2
159.11690	100.0
159.12955	6.9
160.08820	4.5
161.09647	13.1
163.11206	21.7
165.09117	9.6
167.10674	31.3
168.74557	4.5
169.10139	8.4
172.08846	7.0
175.11191	71.5
177.12741	36.8
187.11214	47.5
193.12263	21.8
193.77510	3.9
195.14981	16.2
197.17345	7.2
205.12222	65.2
206.66220	3.5
223.13275	65.7
241.15565	14.6
241.19942	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	241.1436
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03933	2.1
55.01865	3.8
55.05510	17.3
57.03425	3.3
57.07072	7.5
59.04998	5.9
61.02921	1.0
65.59740	0.9
66.97662	1.1
67.05172	1.0
67.05508	16.7
69.03429	52.0
69.07068	32.4
70.90924	0.9
71.04997	1.6
71.44154	1.2
73.06562	1.3
77.03874	0.9
79.05504	8.5
79.75549	0.9
81.07058	28.3
83.04980	33.3
83.08620	19.1
85.06544	18.2
87.04466	21.0
91.05463	6.0
93.03427	1.0
93.07044	43.5
95.04957	6.6
95.08017	1.9
95.08604	25.8
97.05964	1.4
97.06524	14.6
98.97578	5.6
99.04442	1.1
99.08092	11.3
101.06018	17.6
105.07034	5.2
107.04920	1.7
107.08600	16.5
109.06512	6.4
109.10165	7.0
111.04411	1.8
111.08078	45.9
115.03920	11.5
115.06855	1.0
115.07546	6.4
116.98604	4.3
117.07011	3.3
119.08582	6.0
121.06509	8.0
121.10142	11.2
123.08064	3.7
123.11661	2.3
125.05972	3.1
127.07527	1.2
129.05473	24.2
129.09108	29.2
130.26022	1.2
131.08556	2.9
133.10133	12.2
135.08020	3.3
135.11699	13.7
137.09592	3.5
139.07544	17.4
139.11110	1.1
143.07037	16.6
144.09317	1.7
147.08156	1.0
147.11673	1.4
149.05957	2.2
149.09628	1.3
149.13246	7.6
151.11172	8.3
153.12724	2.5
157.08603	36.6
157.09898	2.0
159.11679	14.0
163.07523	1.3
163.11189	2.8
165.09109	1.9
165.12683	1.3
167.06990	1.9
171.06519	1.1
176.12180	1.0
177.12753	19.1
181.12227	2.4
183.10216	1.7
185.08061	6.0
187.11177	1.5
195.13806	33.7
205.12206	3.8
223.13271	11.7
241.14337	100.0
242.14748	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.4
58.06599	15.9
67.05477	0.3
70.06236	0.3
70.06594	4.6
70.55283	0.4
72.08152	0.5
75.27479	0.2
81.03406	0.3
81.07030	0.2
84.08139	8.8
93.07013	0.2
95.08629	0.2
97.07658	3.6
98.06012	0.2
98.09681	1.1
98.97581	18.1
100.11224	0.5
114.05505	0.4
116.07070	0.3
116.10686	0.2
116.98624	14.0
119.01894	0.4
121.01692	0.4
126.05558	0.4
128.10716	3.8
134.99657	7.6
140.00177	0.2
144.10207	1.3
147.18839	0.2
152.10785	0.2
153.00685	1.0
156.97420	0.5
157.06430	0.9
158.01245	0.5
158.04802	0.5
164.07155	0.2
168.10208	0.8
174.98643	0.3
175.07451	2.7
177.00783	0.6
181.06395	0.3
182.04854	0.7
195.07851	0.3
196.09679	5.1
198.07878	0.3
199.07462	10.0
200.05861	0.4
201.02519	0.2
202.90250	0.2
213.15932	0.3
216.08931	0.3
216.99541	0.4
217.08519	9.4
217.99710	0.2
218.05058	0.3
218.08675	0.3
219.01897	0.6
238.40823	0.2
240.10315	0.2
241.15457	100.0
242.15648	1.3
258.99744	6.3
259.10803	0.4
259.99750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05510	0.3
57.03434	0.4
58.06601	8.5
59.73256	0.3
60.08164	3.3
64.15948	0.3
70.06598	1.2
71.43404	0.4
72.08163	0.4
73.02904	0.5
78.70148	0.3
78.95634	1.8
81.03403	0.4
83.06114	0.4
84.08139	4.3
85.02888	0.8
87.04447	0.4
89.02355	0.3
94.06561	0.9
94.93013	0.8
97.02888	0.4
98.09708	0.8
98.97580	0.8
101.00897	0.4
101.02361	0.5
104.10744	100.0
104.58658	0.3
112.89601	0.6
115.03932	1.0
115.42713	0.3
116.98606	0.4
118.03549	0.3
119.01929	0.9
119.87236	0.3
120.96653	6.3
128.10736	1.7
129.01823	0.7
131.01889	0.5
132.96645	3.0
143.03415	0.5
144.10266	0.4
145.04967	0.3
149.09668	0.4
150.97682	3.7
152.07025	0.7
157.01302	1.1
168.10168	0.5
178.95090	0.4
180.97499	0.7
189.03944	2.7
190.73245	0.3
196.09682	2.5
198.98537	1.1
200.04243	0.3
201.02469	0.3
217.47095	0.4
218.08722	0.5
219.03546	0.7
241.11543	2.0
241.15463	50.8
242.15538	0.7
242.17780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52230	1.0
55.01883	8.2
56.05030	2.3
57.03179	1.3
57.03437	16.4
58.06593	2.9
60.08167	1.2
61.02935	2.0
69.03426	1.4
70.06624	1.1
70.14902	1.9
70.15254	1.0
71.01352	8.4
71.04981	3.5
72.08147	1.3
73.02924	6.9
81.03401	1.2
83.01336	2.4
83.06108	33.6
84.04491	2.8
84.08141	2.6
85.02884	7.3
86.09692	3.6
87.04459	8.9
89.02398	8.1
94.44770	0.9
96.08144	1.2
97.02903	1.1
97.99288	0.8
98.22733	1.2
98.97581	1.2
101.00871	1.1
101.02379	23.9
103.03940	2.8
104.10746	19.4
104.11449	1.0
105.11070	6.8
113.02399	1.5
115.03928	43.4
119.01913	1.7
127.03929	2.6
129.01846	21.3
129.06577	1.4
129.84032	0.9
131.01768	0.9
131.03392	1.7
133.04944	3.9
137.92307	0.9
141.01842	2.2
143.03389	18.9
145.04958	2.4
157.01321	38.1
159.02885	2.8
161.04433	12.1
161.05624	1.3
163.06027	1.9
171.02878	3.0
175.02370	2.3
176.52386	1.0
177.96756	1.1
182.10690	1.0
189.03940	100.0
196.14461	3.9
201.02390	2.2
204.02858	1.1
207.05043	10.5
219.03519	2.1
224.07637	3.1
224.16447	1.4
241.99773	1.3
242.10059	3.6
242.15364	23.0
242.17639	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	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.3
57.03434	17.9
59.04989	1.5
61.02941	2.1
66.14001	1.2
69.92105	1.8
69.92449	2.9
71.01348	6.9
71.04973	3.1
71.06120	1.2
73.02914	7.5
83.01373	3.4
85.02908	4.9
87.04463	11.9
89.02406	7.6
98.22713	1.9
98.81753	1.3
101.02372	20.5
103.03960	3.0
104.10744	4.7
113.02310	1.8
115.03930	40.1
129.01845	36.0
131.03358	1.4
133.04929	5.7
141.01822	2.0
143.03400	21.2
147.02975	1.5
157.01329	38.0
159.02934	2.6
161.04449	27.6
171.02869	5.9
189.03944	100.0
207.04999	4.6
224.07652	4.3
242.15849	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	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83052	0.4
60.24725	0.4
65.25232	0.4
66.69531	0.4
70.06566	0.7
70.11857	0.8
72.86108	0.4
73.04839	0.4
78.05717	0.4
78.31759	0.4
86.09701	0.4
91.50250	0.4
98.97560	1.2
112.03717	6.2
116.98609	0.5
118.39378	0.4
133.11948	0.4
153.05223	5.6
171.06259	0.4
180.44598	0.5
193.75276	0.4
194.07809	0.5
219.56783	0.4
224.08911	6.5
242.09985	100.0
242.17448	9.8
243.10327	1.2
260.00232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1752
Annotation	Valeroidine
Peak:m/z	Relative Intensity
51.28819	0.4
52.78867	0.4
55.01870	5.2
55.05508	0.8
56.05027	1.8
67.05499	1.6
68.05009	1.5
69.03416	0.9
69.07100	0.8
69.19543	1.9
69.19949	1.0
70.02934	1.6
70.06233	0.5
70.06587	5.7
70.70959	0.5
71.04994	22.6
71.08266	0.7
71.08633	11.9
79.05475	0.9
80.05017	0.6
81.07037	1.3
82.06592	0.9
83.04939	0.7
83.08620	0.5
84.08149	0.4
86.06059	3.9
93.07052	0.9
94.06570	1.5
95.08601	1.4
96.08131	23.0
97.14556	0.5
98.06033	1.5
98.09695	18.1
98.23412	1.1
98.97631	0.7
99.07463	0.6
99.08096	8.4
106.06530	0.7
107.28529	0.4
108.08120	4.9
109.06499	0.5
109.10169	0.7
110.06027	0.5
112.07632	0.9
120.08107	0.7
121.08897	0.6
122.06033	9.0
125.08361	1.5
126.09215	0.6
126.12807	2.6
136.07602	1.1
139.11200	1.8
140.07059	9.0
151.11182	1.1
153.20335	0.5
154.12260	3.6
178.15912	6.1
179.14288	0.6
196.16974	12.7
206.15410	13.0
224.16449	100.0
225.16832	0.8
242.11824	1.1
242.17499	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	242.1752
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01866	0.6
55.05511	1.3
55.22718	0.2
56.05015	0.4
56.96564	0.2
57.03179	0.4
57.03437	4.3
58.06595	0.5
61.67963	0.2
65.34003	0.2
65.42230	0.2
67.05505	1.9
69.03436	0.2
69.07062	2.5
69.92657	0.6
70.06593	0.6
71.04964	0.6
72.08151	3.5
79.05488	5.7
81.03434	0.3
81.07053	3.6
82.88410	0.2
83.04991	2.0
84.08146	0.5
85.02901	4.2
85.06524	0.3
85.08920	0.4
90.31773	0.2
91.05470	2.8
93.07050	3.0
95.04962	1.8
95.08609	5.4
96.08117	0.5
97.06528	6.4
98.09693	3.4
98.97591	0.7
99.04459	0.6
99.08117	1.1
100.63161	0.2
101.06007	0.7
105.07024	4.6
107.04953	1.6
107.08576	1.3
109.06507	0.3
109.10165	1.2
111.04442	0.2
113.06001	0.4
116.98605	0.7
117.07008	0.6
119.08575	4.3
121.06502	1.9
123.08073	4.1
124.11238	0.5
129.05466	1.6
133.10121	6.3
134.99628	0.2
135.08029	0.5
137.09592	1.1
141.09070	0.4
142.12253	0.6
143.08604	1.0
151.11192	1.7
161.09625	2.9
179.10658	1.8
192.35309	0.2
196.16966	0.3
197.11748	0.7
224.16432	1.0
242.17503	100.0
243.17804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.3
57.03449	5.0
63.44992	1.1
67.05483	1.7
69.07050	3.0
70.06563	1.4
72.08144	2.3
79.05487	3.5
81.07051	2.7
85.02901	3.6
91.76803	1.0
93.07032	2.4
93.69930	1.0
95.04960	1.1
95.08610	4.2
97.06528	3.4
98.09688	3.3
98.97593	4.1
105.07012	2.3
107.04994	1.7
116.98613	4.2
119.08604	1.7
123.08072	2.8
133.10106	3.0
134.99672	1.5
142.12419	1.1
154.36943	1.2
161.09370	1.0
189.96518	1.0
224.16440	1.8
225.51404	1.0
232.14824	1.2
242.17502	100.0
243.17978	1.4
260.00031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	8.6
56.96565	5.3
67.05491	1.2
67.23888	0.7
69.07063	3.1
70.06588	5.6
70.07616	0.7
70.36208	1.7
72.08155	3.0
81.03359	0.9
83.06107	66.8
84.04508	89.3
84.06433	6.2
84.08141	21.8
85.02906	1.3
86.09711	100.0
93.07012	0.9
96.08145	1.1
96.77989	0.7
98.97567	8.1
98.98489	1.3
99.92918	0.8
101.00868	0.8
102.05560	0.8
109.02816	1.0
110.07157	3.9
113.07124	1.3
114.05528	0.8
114.09174	3.7
116.07073	1.0
116.98604	4.9
119.01909	1.8
124.99159	0.8
129.06641	6.2
129.10265	2.4
130.05060	0.9
132.10208	49.0
134.99612	1.5
141.06584	4.5
142.05019	1.3
143.00162	1.5
155.00143	0.8
156.07660	1.2
161.01160	0.7
175.11972	1.1
177.00983	1.0
183.02647	3.6
189.00716	1.0
196.14441	7.0
197.12885	44.3
197.14771	3.0
198.11258	2.6
201.00703	0.9
201.02435	1.3
215.14096	1.2
219.01883	2.6
224.16451	1.2
225.03719	6.0
225.09961	1.1
225.12314	3.1
242.14998	26.9
242.17545	8.3
243.04770	89.7
243.13382	11.1
243.15334	7.3
243.17451	5.8
261.00009	1.0
261.02948	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	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13712	1.7
56.05034	3.7
67.34879	1.5
67.75695	1.7
69.72540	4.5
69.72894	2.6
71.55621	1.7
71.67272	1.4
81.07079	2.2
84.04503	78.7
86.09703	100.0
98.97584	2.7
102.95200	1.6
108.91565	1.7
116.98635	3.6
129.06624	2.4
132.10196	46.4
141.06589	4.1
170.90129	1.6
171.48227	1.8
197.12846	44.2
201.11383	1.5
225.12517	1.7
226.14470	1.7
243.13594	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	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
56.96560	4.4
57.03426	1.4
57.07065	2.0
59.05013	1.0
60.05645	1.7
61.02922	3.0
65.03931	0.6
67.05498	4.8
68.05029	0.6
69.03421	4.4
69.07069	5.1
69.83024	1.6
69.83343	1.0
70.06587	9.7
71.04978	1.4
72.08150	8.9
79.05495	4.5
81.03434	1.5
81.07051	5.7
82.06585	0.7
83.04979	2.2
83.08650	0.9
84.04514	4.2
84.08135	17.0
85.02894	1.9
85.06541	1.9
86.09699	13.2
87.04462	6.5
87.10062	1.0
87.68138	0.7
91.03932	0.8
91.05479	3.2
93.03442	0.8
93.07038	6.4
94.27281	0.7
95.04963	100.0
95.08601	8.8
97.02877	1.5
97.06520	8.1
98.09673	1.3
98.23341	0.7
98.97549	1.5
98.98480	1.0
99.08093	0.7
105.07021	6.9
107.04943	0.9
107.08590	3.9
109.06518	5.0
109.10166	3.4
111.08054	1.9
113.06007	3.3
113.25340	0.7
115.03929	10.1
115.07597	4.2
116.07034	1.1
116.98614	2.2
117.06970	1.7
119.06828	0.7
119.08578	5.4
121.06499	2.9
121.10144	6.5
123.08086	5.5
123.11649	0.8
125.05955	1.7
129.10307	1.1
130.04987	1.1
130.06528	1.2
131.08553	2.9
132.10204	1.5
133.06505	0.7
133.10132	5.5
134.99672	0.9
135.08038	1.0
135.11681	0.9
137.09622	1.1
139.07573	0.9
139.11195	2.9
141.73148	0.7
142.12270	4.1
143.06999	2.1
143.08546	1.0
145.10133	1.6
147.11671	7.7
148.07542	1.5
149.09631	1.0
151.07491	3.4
151.11218	1.2
156.09384	1.1
159.11719	1.6
161.13234	3.4
163.11163	0.9
165.12761	1.5
166.12288	0.8
169.07161	1.7
169.08595	26.0
171.11778	3.4
174.02226	1.7
175.11922	2.7
177.12735	8.0
179.14349	0.8
184.13324	1.1
185.16457	1.4
187.09663	2.8
189.12781	4.4
192.03362	3.2
197.12766	1.9
206.04887	1.4
207.13808	4.8
215.04927	1.0
217.06598	1.3
225.14827	23.1
225.17018	1.3
226.18013	2.1
243.07285	1.2
243.11385	4.2
243.13506	0.8
243.15671	13.2
243.18111	1.4
244.15471	2.4
244.19034	7.3
260.99826	0.7
261.03018	1.0
261.05508	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	243.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05510	23.1
56.96571	3.9
57.03434	8.6
57.07082	2.9
58.06581	2.4
59.04996	2.8
67.05506	16.4
69.03429	13.3
69.07073	15.0
69.77222	5.2
70.06596	15.6
71.04998	19.1
72.08155	11.9
79.05489	23.2
81.03407	2.7
81.07056	40.0
83.04980	13.6
83.08634	4.7
84.04524	9.7
84.08149	17.5
85.02923	3.9
85.06554	5.9
86.09711	17.6
87.04485	4.2
91.05481	21.3
93.07044	31.5
93.20096	2.6
95.01337	7.9
95.04974	10.5
95.08600	21.8
97.02898	2.9
97.06532	100.0
98.09709	6.7
98.97578	5.8
99.04435	6.9
99.08071	4.4
99.60106	2.2
100.07620	2.8
101.06019	6.1
102.09144	3.4
105.07038	50.4
105.27936	2.5
107.04951	3.5
107.08601	70.0
109.06535	14.8
109.10149	21.8
111.04421	3.9
111.08093	10.4
114.09148	2.4
117.07027	7.8
118.95292	2.4
119.08581	49.9
121.06502	9.3
121.10144	25.8
123.08035	16.7
123.11713	4.9
125.09629	7.6
127.07430	3.0
129.06721	3.0
130.05017	12.9
131.08600	11.9
133.06496	5.4
133.10155	23.7
135.08058	19.7
135.11722	10.3
137.09639	15.4
139.11197	3.9
139.30710	2.4
143.08595	5.4
145.10138	10.6
147.08052	14.1
147.11688	43.7
149.09644	16.6
149.13225	4.4
151.11179	8.2
155.10696	6.8
156.09367	4.9
156.84596	2.5
158.99692	2.5
159.11716	11.7
161.09624	10.3
161.13286	24.6
163.11206	6.1
165.09192	5.7
165.12761	10.7
167.10719	4.3
171.11697	9.4
175.03925	2.1
177.12794	10.2
179.14313	4.8
185.11757	4.9
189.12737	27.7
195.13815	2.7
198.14931	10.1
207.13788	22.8
208.17102	3.1
215.13866	2.7
225.14856	12.5
226.14540	15.0
226.18002	15.2
243.04744	11.9
243.11961	5.1
243.15685	3.9
243.18178	14.8
244.19077	28.5
246.61993	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	244.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
55.93522	0.4
56.05035	0.5
56.96571	0.8
58.06608	0.7
68.05036	0.6
69.07081	0.8
70.06596	2.8
70.48833	0.8
72.08157	1.4
72.93789	0.8
79.05499	3.8
81.05799	1.4
84.08141	11.7
87.04478	0.6
90.92667	0.4
90.94848	1.2
94.06551	3.1
95.04992	0.4
96.08131	32.1
97.22910	0.4
98.22711	0.4
98.97595	1.0
100.02462	0.6
100.07687	0.4
100.11248	1.9
101.00899	0.7
101.10786	0.7
110.09714	0.6
111.07485	0.4
112.05108	2.2
112.05740	0.4
114.09168	100.0
116.07129	0.8
118.91836	0.4
119.01924	3.0
120.02013	0.9
121.01694	0.6
125.79552	0.4
127.49295	0.4
128.10741	3.5
129.10216	0.9
137.02901	0.8
142.03409	0.5
149.96152	0.9
157.06406	0.5
161.02982	0.8
164.83340	0.4
167.97145	0.6
172.97675	0.5
177.00914	0.5
178.01051	2.8
179.00684	1.2
179.04048	0.7
190.12085	0.4
197.99112	0.8
215.77094	0.4
218.04156	0.6
220.02148	3.6
220.96873	0.6
221.00835	7.4
226.01114	0.6
226.14246	0.9
226.17961	0.4
239.01859	0.8
244.02248	1.7
244.15402	45.8
245.01642	0.5
245.15727	0.5
262.03180	15.0
263.02792	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	244.1908
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
55.05497	0.6
56.05022	0.5
57.74128	0.3
58.06590	0.9
67.05502	2.1
69.07062	1.2
70.06234	0.4
70.06591	5.5
71.04985	1.4
71.07368	0.5
72.08144	0.9
72.57666	0.2
75.89734	0.2
79.05481	0.9
81.07057	4.9
83.04961	0.3
83.08608	0.6
84.08139	2.7
85.06516	0.3
85.08939	0.5
86.09712	1.3
86.68079	0.2
88.07127	0.4
88.07626	4.2
91.05476	0.8
92.72234	0.2
93.07040	2.2
95.08600	3.7
96.08116	1.0
97.06532	0.6
98.09688	2.0
99.08108	0.3
101.06008	0.2
105.07034	0.3
107.08572	0.9
109.10148	0.8
110.09662	1.2
111.08089	0.3
112.07599	0.4
112.11240	2.4
119.08566	0.7
121.10116	0.3
124.11219	0.3
133.10120	0.5
135.11700	1.1
137.09621	0.7
150.97838	0.2
153.12679	0.2
158.11749	0.3
159.11636	0.5
198.14856	1.0
208.16971	0.8
224.16307	0.3
226.18004	27.1
227.18271	0.5
244.19061	100.0
245.19397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1909
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
55.05485	1.3
56.05002	1.2
57.03438	10.9
58.06573	1.4
60.04512	0.5
67.05455	2.6
69.03423	4.4
69.07063	3.3
69.91290	1.1
69.91644	1.2
70.06548	2.0
71.04994	7.7
72.04471	0.6
72.08154	8.2
79.05493	6.9
81.07056	7.3
83.04934	2.2
84.08131	4.0
85.02894	2.9
85.06490	0.9
85.08911	0.6
86.09652	2.3
87.04465	5.4
91.05479	3.4
93.07032	4.3
95.04889	1.0
95.08623	3.8
97.06539	3.5
98.09702	16.1
99.08103	3.7
105.06988	1.7
107.08614	2.8
109.10101	0.8
111.08058	0.6
113.09589	1.1
119.08514	1.1
121.10099	2.0
123.08056	1.5
125.01808	0.5
135.11650	2.2
142.11218	0.6
142.12285	11.5
145.10042	2.1
163.11185	5.9
181.12190	1.5
185.08023	0.7
208.16974	1.3
226.18008	100.0
227.18311	1.8
234.80696	0.6
244.19083	97.9
245.19443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2274
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
52.75594	1.1
53.03940	1.2
55.05508	10.6
56.05024	1.9
57.03429	2.9
58.06582	4.1
62.15524	0.9
67.05505	24.7
69.07069	8.8
70.06589	21.6
71.04980	2.7
72.08189	0.9
79.05486	8.8
79.23175	0.9
81.07059	20.1
81.77592	0.9
83.04964	0.9
83.08586	4.4
84.08122	4.7
85.06545	1.6
86.09711	2.2
91.05462	1.8
93.07038	10.4
95.08604	22.6
96.08117	1.0
97.10162	2.8
98.09718	1.6
107.08583	6.5
109.10159	14.1
112.11195	1.2
121.10124	5.9
123.08168	1.0
123.11703	2.4
135.11687	4.8
149.13248	1.2
187.13536	2.9
196.20589	5.7
208.20593	20.6
226.21655	100.0
227.21992	1.1
244.17088	7.0
244.22719	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
57.07075	11.6
58.06598	2.4
61.32940	0.3
62.06090	6.9
69.07073	0.5
70.16069	0.7
71.08627	5.7
76.07637	0.6
85.10180	2.5
226.25266	4.7
244.26347	100.0
245.26674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	4.4
70.06595	5.1
71.02521	2.8
72.08181	2.7
75.75651	2.6
84.08144	7.0
96.12677	3.0
104.10742	100.0
105.11067	5.9
114.09207	4.3
118.57104	3.3
128.10565	3.2
161.71564	2.8
203.98166	2.9
210.49780	3.0
243.05598	3.7
255.34639	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	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	1.0
69.36602	1.0
70.06609	0.7
84.08159	0.4
86.09710	100.0
87.10043	0.6
96.32475	0.3
97.04021	0.3
98.22751	0.4
132.10211	5.0
190.98454	0.3
199.18059	3.1
211.10744	0.3
227.08492	1.7
227.18349	0.6
245.13156	0.3
245.18614	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	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.05589	0.2
56.05027	0.4
57.05819	0.3
58.06604	0.4
67.05495	0.3
67.62690	0.2
69.07069	10.5
69.07448	0.5
70.06583	0.7
70.31190	0.5
72.93791	0.9
81.07057	0.3
86.09706	100.0
87.10046	0.5
90.94820	1.1
98.23434	0.3
107.41291	0.2
116.53987	0.2
120.50213	0.2
132.10175	1.5
149.96152	1.0
167.97173	0.7
172.97728	0.6
189.79596	0.3
190.98833	0.4
199.18059	0.9
209.17351	0.8
217.04698	0.3
227.18341	2.2
237.47287	0.2
245.06192	0.4
245.13611	0.9
245.19087	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	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
66.01861	0.2
69.07061	0.6
69.30941	1.1
72.93793	0.8
86.09708	100.0
87.10038	0.5
90.94811	0.6
115.03870	0.2
132.10207	3.4
149.49930	0.2
149.96152	0.7
167.97150	0.7
172.97743	0.7
199.18056	2.2
245.13562	3.7
245.18594	7.5
250.04967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.25181	0.4
54.64159	0.4
55.05515	12.9
56.05046	0.5
57.05825	1.1
69.07064	0.7
69.32603	1.5
69.32975	0.8
71.47927	0.4
72.08159	100.0
73.08496	0.8
74.82003	0.4
75.62895	0.5
77.15045	0.4
86.09711	55.0
132.10216	2.3
146.11766	43.4
185.16467	3.5
201.28438	0.4
228.12273	0.5
245.09499	0.5
245.18611	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	246.1451
Annotation	GLY-GLY-ILE
Peak:m/z	Relative Intensity
51.39356	0.6
55.05506	1.4
55.34771	0.5
56.05031	0.9
56.96562	1.2
57.03437	10.3
58.06587	1.4
60.05649	2.8
67.05499	3.2
69.03447	0.9
69.07070	15.0
69.76679	0.6
70.02953	5.5
70.06592	9.4
71.04995	2.5
71.38361	0.6
72.08158	12.4
73.02905	1.1
75.05598	0.6
79.05498	3.5
80.01382	0.8
81.07064	5.6
82.06570	0.7
83.04976	1.1
84.08141	22.1
85.04025	6.0
86.09707	33.6
87.05593	23.3
88.04004	0.9
89.02392	0.6
91.05460	2.1
93.07034	1.3
95.08598	4.9
96.04490	0.8
96.08138	1.2
97.02907	0.8
97.06516	2.1
98.02418	6.8
98.09700	5.9
98.97560	0.8
99.05585	0.7
99.08063	0.8
100.07606	2.1
101.16122	0.7
105.07014	1.7
107.04952	2.1
107.08577	0.7
109.06525	4.3
110.02406	24.1
111.04402	0.6
112.08766	0.6
113.02362	1.7
113.09663	1.0
113.09908	1.0
113.10780	15.3
114.05536	1.3
114.06659	1.0
115.08741	0.6
116.07082	1.6
117.10316	0.8
119.08565	3.7
123.08085	2.0
124.03983	3.0
124.07651	0.8
128.07076	1.1
129.10243	6.1
130.08665	3.8
132.10204	6.9
135.26836	0.5
136.05653	0.6
137.09573	0.8
138.09111	1.3
141.09143	1.9
141.10220	29.8
142.12270	2.0
143.10681	0.9
143.11800	14.4
147.08017	1.9
147.11307	5.0
155.11807	3.6
158.09262	1.1
165.09126	1.6
166.08633	23.8
168.13863	0.6
169.08420	0.6
169.09743	2.4
171.11346	3.7
175.11884	3.7
183.09932	1.1
183.11470	3.7
184.06143	0.7
184.16922	1.0
186.07530	0.9
186.14912	6.1
187.10785	18.5
200.13945	9.8
210.14868	1.1
211.10806	3.0
212.09174	28.2
223.04694	1.1
228.08630	1.4
228.13466	1.9
228.15990	5.7
229.11821	16.4
229.15508	1.7
246.10072	4.9
246.17027	100.0
246.20750	4.9
247.17291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	O-pivaloylcarnitine
Peak:m/z	Relative Intensity
53.03944	0.3
55.05501	0.9
56.05021	0.6
56.96547	0.9
57.03180	0.6
57.03437	6.1
58.06604	0.9
60.05635	0.5
67.05509	2.9
69.03429	1.1
69.07071	3.8
70.06596	2.7
70.48786	0.8
71.04981	1.2
72.07781	0.6
72.08152	5.6
79.05045	0.5
79.05486	4.8
81.07060	6.4
83.04983	2.8
84.08136	3.4
85.02907	1.0
85.04037	0.5
86.09702	2.5
87.05595	2.1
89.02370	0.5
91.05475	2.2
93.07050	3.8
95.04971	0.5
95.08604	9.2
96.08138	0.6
97.02883	1.3
97.06511	1.7
98.02423	0.6
98.09703	4.6
98.97573	0.6
99.04424	0.5
99.08087	1.5
100.07607	0.9
104.99265	1.7
105.07027	3.1
107.04963	3.3
109.06525	3.7
109.10144	1.2
110.02423	1.9
111.04467	0.7
113.02351	1.3
113.09631	0.9
113.10783	1.1
114.09166	0.4
115.03947	0.6
115.07561	0.6
116.07112	0.6
117.10249	0.5
119.08584	5.1
121.10154	0.6
123.04475	0.4
123.08077	3.7
124.11258	0.4
125.05986	0.6
129.10262	1.2
130.08612	0.9
132.10165	0.8
137.09621	2.7
141.09071	3.2
141.10233	2.6
142.12254	1.8
143.11821	0.9
147.08057	3.1
147.11299	0.9
155.11769	0.5
165.09106	3.4
166.08640	2.9
166.12273	0.4
168.13876	1.1
183.10091	3.1
186.14897	3.0
187.10760	1.8
192.13872	0.4
199.07704	0.4
200.13962	1.1
210.14812	1.9
212.09148	2.8
228.13715	0.5
228.15936	5.3
229.11784	1.3
229.15401	0.4
240.93217	0.4
244.08035	0.4
246.17014	100.0
247.04170	0.4
247.17378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54605	1.3
55.05507	1.8
62.49060	1.2
67.05502	7.9
69.07061	8.0
70.06553	1.4
70.58422	3.2
71.05003	3.8
74.06085	1.6
81.07059	3.8
84.08143	1.6
88.07628	1.9
91.05470	1.6
93.07034	1.7
95.04976	6.7
95.08625	5.2
98.44167	1.5
104.99281	5.8
105.07021	1.8
109.10153	100.0
119.08595	4.9
121.06490	2.1
123.11714	10.5
127.11192	40.7
127.12077	2.5
133.10136	5.1
134.62927	1.2
137.09602	10.7
143.08546	1.4
150.84114	1.5
151.11194	2.7
155.10681	6.0
161.09630	5.6
173.11726	9.8
179.10652	17.9
183.13805	2.1
190.55699	1.4
197.11725	53.7
202.85939	1.3
211.13287	17.2
229.14369	2.8
246.13364	3.6
246.18515	1.9
246.20660	3.8
246.24377	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	246.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37376	0.3
55.05505	0.6
56.05030	0.6
57.03176	0.6
57.03438	6.2
58.96468	0.3
59.62509	0.3
65.54591	0.4
67.05514	2.7
69.07069	2.3
70.06575	0.8
70.69473	0.5
71.04996	20.1
72.08150	4.6
78.12882	0.3
79.05494	2.1
81.07061	4.8
83.04967	0.6
84.08144	1.7
85.06531	0.8
86.09714	0.6
87.04483	0.4
88.02158	0.3
91.05471	1.1
93.05733	0.3
93.07043	3.8
95.04950	0.5
95.08610	2.6
97.06542	2.4
98.09698	10.4
98.97582	0.6
99.08105	2.9
102.09226	0.5
105.07032	1.4
107.08598	1.4
109.10133	0.5
110.13762	0.3
111.08078	0.5
113.09652	2.2
115.07545	0.6
119.08593	0.7
121.10148	0.4
123.08044	0.4
124.11173	0.4
132.63672	0.4
142.12277	3.5
147.11659	0.4
165.12717	0.4
183.13835	0.6
210.18524	0.4
221.74051	0.4
228.16072	0.4
228.19583	7.8
246.20651	100.0
247.21068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05504	1.5
56.05026	0.8
57.03440	5.4
67.05212	0.4
67.05515	4.9
69.03426	0.6
69.07070	4.0
70.06579	1.3
70.45200	0.3
71.04999	38.4
71.22754	0.4
72.04527	0.4
72.08158	6.3
79.05493	5.2
81.07061	9.3
83.04976	1.0
83.08593	0.4
84.08157	2.3
85.06547	2.4
86.09705	3.2
87.04494	0.6
87.05578	0.3
88.04050	0.3
89.06020	1.3
91.05482	1.8
93.07053	3.9
93.63796	0.4
95.08617	5.4
97.06536	4.0
98.09705	10.7
98.97588	1.0
99.08105	6.9
102.09153	0.5
102.30036	0.4
103.05471	0.4
105.07044	2.6
107.08611	2.3
109.06525	0.4
109.10181	1.0
111.08117	0.6
113.09631	2.5
115.07550	1.6
117.59076	0.3
119.08573	1.5
121.10148	1.2
123.08115	0.4
124.11223	0.8
129.10207	0.8
132.10201	1.3
135.11690	0.5
142.12289	4.3
147.11618	1.3
148.42946	0.4
157.50905	0.3
165.12772	1.2
183.13802	1.4
228.15993	0.6
228.19589	6.2
246.20659	100.0
247.20970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
56.05029	2.1
57.03426	1.9
57.05800	0.9
58.06593	1.1
60.05642	1.3
67.05492	1.1
69.03419	1.8
69.07050	2.3
70.06594	10.4
70.38927	1.1
72.08154	42.3
75.04469	0.9
84.04495	6.3
84.08138	10.4
85.02906	3.9
85.08459	1.0
86.09190	1.4
86.09707	25.1
87.10016	1.2
95.08606	1.4
97.02898	0.8
98.98466	27.4
100.07610	1.8
102.05530	1.5
103.02444	1.9
104.10712	2.5
104.71601	0.7
113.02227	1.1
114.19450	0.7
116.07091	2.7
117.10213	1.5
118.08644	2.5
119.01927	0.7
121.03458	0.8
127.03914	1.6
129.10236	2.9
130.05005	3.9
130.08643	1.8
145.04965	1.0
147.07594	0.9
147.11278	2.9
148.06047	10.7
148.11598	1.1
167.03177	1.3
169.01035	0.9
173.02078	5.8
175.11938	1.4
183.11330	0.8
187.02094	0.8
206.75885	0.7
228.15892	0.9
229.03195	24.8
229.11855	1.1
246.17113	7.0
246.20399	1.0
247.04247	100.0
247.12961	4.8
247.17570	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	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
60.05645	5.4
69.03418	2.6
69.07082	1.0
70.06593	9.8
72.08154	18.3
75.47548	1.0
84.04493	1.5
84.08141	9.1
85.02888	4.9
86.09701	11.8
94.72655	1.0
95.57508	1.0
97.02879	1.3
98.98462	9.1
100.07615	2.6
103.02442	1.6
104.10754	6.2
112.08708	1.2
116.07130	1.3
118.08660	3.9
120.50105	1.3
127.03912	1.9
129.10243	1.1
130.09750	4.2
142.08644	11.6
147.01440	1.3
148.06071	2.4
158.09404	1.3
173.02095	2.8
188.09157	2.2
229.03185	26.9
246.17128	2.3
247.04239	100.0
247.14107	12.7
247.16719	1.5
247.17757	1.6
248.04573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1291
Annotation	H-Leu-Asp-OH
Peak:m/z	Relative Intensity
50.28342	0.3
55.05498	0.4
56.05060	0.4
56.96566	4.8
69.07066	3.9
69.32131	0.3
70.06588	1.0
70.83772	0.4
72.08157	4.5
73.08507	0.4
74.02454	0.5
74.06059	0.3
76.73578	0.3
81.92721	0.3
84.04507	1.6
84.08147	1.2
85.08476	0.5
86.09703	100.0
87.10022	1.9
88.03980	0.3
93.79655	0.3
94.07406	0.3
98.97573	5.7
101.00866	0.6
103.02462	0.4
104.99256	2.3
116.98618	3.7
118.08666	0.7
119.01933	2.6
121.01652	0.6
128.98586	0.4
129.10249	0.7
130.05061	0.4
130.08676	0.4
130.10593	0.3
133.06104	0.3
134.04530	0.8
134.99652	1.8
142.05467	0.3
146.99663	0.4
148.06049	0.7
160.06505	0.7
161.03008	0.5
177.01007	0.5
183.11334	1.6
187.00871	0.3
188.05930	0.5
201.03946	0.4
205.03760	0.4
206.01662	0.4
206.06987	1.2
215.00406	0.5
219.05064	0.4
223.01329	0.5
224.02858	0.5
224.08017	1.1
229.03293	2.3
229.11836	1.3
230.07065	1.8
232.53293	0.3
233.10446	0.5
247.01695	0.7
247.04265	11.0
247.10364	0.5
247.12900	4.3
247.17235	1.3
248.04356	0.8
248.08055	2.3
265.02655	1.1
265.10782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03943	1.5
55.05511	65.6
67.05492	0.5
79.05476	0.9
81.07067	0.5
83.04980	100.0
86.26322	0.3
91.05479	4.1
93.07050	0.8
95.08588	0.5
98.98463	0.6
101.06015	0.8
104.99269	9.4
104.99974	0.6
105.07029	0.8
107.04939	0.8
117.07020	1.9
119.08583	17.0
121.10119	0.6
129.06967	1.0
131.08643	0.6
132.05707	3.3
135.07951	0.5
147.08041	41.4
159.11624	0.4
173.13292	0.4
192.06239	0.4
247.13176	2.0
247.16833	1.0
247.20517	0.9
262.10156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24380	0.8
56.05027	1.1
56.96285	1.9
56.96567	38.2
59.10191	0.8
69.42981	0.8
70.06590	1.8
72.96046	1.4
74.06084	1.8
84.04527	1.0
84.08147	13.3
84.96016	1.0
86.09708	25.9
87.10028	7.4
94.06567	0.9
98.97584	100.0
101.10809	0.9
110.07208	1.0
116.00217	1.8
116.98619	62.4
119.01897	1.5
126.02296	2.8
129.10251	3.7
130.01782	1.3
130.08647	2.1
134.01257	2.3
134.99661	20.1
140.03824	2.2
142.01637	3.3
142.05388	3.9
142.08542	0.9
144.03294	1.2
146.99660	1.2
147.11259	2.0
150.05489	5.0
153.00690	1.9
153.02209	1.0
158.01160	2.1
158.04906	3.6
160.02640	1.3
160.06506	7.3
162.04137	1.1
170.04865	2.3
171.03233	2.5
178.07509	2.1
188.02142	1.0
188.05898	4.3
189.04341	16.4
189.05942	1.7
202.07370	1.1
206.01544	1.7
206.06996	8.2
207.05418	6.7
220.04808	1.3
224.02597	3.0
224.08041	8.7
230.06998	46.4
231.05324	2.3
232.59369	0.8
234.10176	1.1
248.04433	11.2
248.08064	83.4
248.16092	3.3
248.18451	1.5
249.08492	1.1
262.09735	0.9
266.09070	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	248.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66888	1.0
55.01868	2.3
55.05278	1.2
55.05507	6.9
57.03439	5.1
57.59117	1.1
58.06585	2.9
60.90551	1.4
67.05508	16.8
67.83872	1.1
69.03432	1.2
69.07073	6.1
70.06231	2.1
70.06595	28.9
70.10690	1.6
70.11024	2.7
71.04995	5.0
75.04459	1.1
78.79720	1.2
79.05498	12.7
81.07059	28.7
82.06570	3.8
83.04958	1.8
83.08628	3.3
84.04495	3.1
84.08150	5.7
85.02927	2.0
85.06538	2.1
86.09693	1.1
91.05490	8.6
93.07049	35.1
94.06593	1.5
95.04971	2.3
95.08609	27.1
96.08141	4.5
97.06528	3.3
97.10194	1.2
98.05991	2.0
98.22812	1.2
100.30704	1.0
105.07037	4.5
107.08585	11.3
109.06499	1.4
109.10164	3.8
110.09690	6.0
111.08096	3.1
112.07604	1.3
113.05987	1.2
115.05461	1.3
117.06995	6.4
119.08600	6.5
121.06508	6.9
121.10144	4.8
123.08089	2.7
131.08559	2.6
133.10124	7.0
135.07999	6.0
135.11691	25.3
137.09688	1.7
137.28635	1.2
139.07542	5.5
140.81279	1.0
149.13246	11.9
151.13010	1.2
153.09119	3.8
159.11740	11.9
166.15904	1.9
176.14355	2.6
177.12753	19.4
194.15401	20.7
195.13838	24.8
212.16452	69.8
213.14824	3.5
213.16681	1.8
230.17520	61.0
248.18578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75489	0.9
51.56540	0.9
55.05515	5.8
56.05059	1.1
57.03436	5.2
58.06580	3.3
63.68330	1.1
64.99600	1.0
66.48292	1.0
67.05503	14.4
69.03433	1.4
69.07065	8.2
70.06238	1.9
70.06594	19.0
71.04981	4.2
72.08150	3.6
75.04468	1.4
75.09059	0.9
79.05491	10.6
81.06622	1.7
81.07056	17.3
82.06577	2.8
83.04971	2.9
83.08633	2.8
84.04494	2.2
84.08122	4.4
85.02903	1.4
85.06522	2.2
86.09708	3.6
91.05476	5.8
92.52372	1.0
93.07043	20.2
95.04969	2.2
95.08608	18.7
96.08125	2.0
97.06511	2.6
97.10176	2.5
98.06062	1.4
98.09666	1.3
104.20951	1.1
105.07027	4.3
107.04976	1.2
107.08596	6.8
109.10154	6.1
110.09659	2.3
111.08067	1.2
112.07583	1.1
117.06995	2.2
119.08611	2.3
120.08115	4.7
121.08456	4.6
121.10120	3.7
124.07510	1.1
125.05909	1.1
131.08505	2.5
133.10144	2.6
135.08015	1.6
135.11699	18.8
136.07584	2.1
137.09572	2.1
145.02802	2.9
149.13286	7.7
150.05440	1.5
153.12749	5.4
159.11688	3.8
166.15970	1.2
168.17485	24.8
170.15404	15.1
177.05479	3.9
177.12755	6.1
184.16949	3.3
188.06978	1.8
194.15425	18.0
195.13824	7.7
212.07042	1.5
212.16460	11.7
213.14929	1.7
230.17511	82.8
231.17809	1.4
248.09222	4.3
248.12961	4.5
248.18571	100.0
249.15752	7.6
249.18338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.6
57.03429	4.3
58.06382	0.8
58.06606	9.8
59.78167	0.8
60.79583	0.9
67.05505	20.4
69.03423	1.1
69.07061	2.9
69.51151	3.2
69.51486	1.1
70.06591	7.1
71.04982	1.6
74.06072	4.7
79.05489	4.1
81.07054	9.4
82.06578	2.9
83.08626	2.0
84.04497	3.6
84.08139	1.4
85.06550	1.9
86.09689	1.7
91.05470	2.4
93.07045	7.4
95.08598	8.5
96.08138	2.6
97.06541	2.0
99.04465	1.3
101.47644	0.9
101.81020	1.0
107.08583	3.0
109.10165	15.1
111.08033	1.2
119.08599	2.4
121.10146	2.1
123.11731	1.1
129.58572	1.1
135.11722	1.4
137.09613	2.2
149.13229	3.0
155.10686	3.1
155.62778	1.0
167.14328	1.8
173.11786	4.8
176.14372	1.4
177.12737	2.3
194.15388	13.9
195.13802	2.1
212.16452	27.6
230.17517	21.0
248.18573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92555	0.8
69.92954	0.8
83.39499	0.4
94.93018	100.0
136.94046	1.4
150.91957	4.1
206.88603	27.0
242.76485	0.4
248.89651	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	249.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81387	1.1
59.04994	2.5
59.15975	1.1
69.41273	5.1
81.03434	1.6
96.92833	1.4
98.22758	2.4
101.45613	1.1
104.99262	3.3
116.98573	1.1
129.06969	2.6
131.08563	1.7
157.06447	1.4
159.07967	2.5
161.09705	1.5
176.04445	26.0
187.07457	1.4
218.05527	9.7
219.06329	1.9
239.19673	1.2
249.07343	100.0
249.11063	11.1
249.15700	5.3
261.58105	1.3
267.08255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05495	0.9
56.73101	0.6
57.03409	0.6
59.04987	1.0
59.17137	0.5
61.64390	0.5
67.05494	1.9
69.03417	1.3
69.20545	1.6
69.20942	1.8
77.03941	0.6
79.05482	1.9
81.07047	1.8
85.06538	0.8
91.05473	6.4
93.07040	1.3
95.04972	1.9
95.08614	0.7
97.02882	0.8
103.05450	1.0
105.07030	3.8
107.04934	1.7
107.08576	2.3
109.06506	0.9
109.10159	0.8
115.05444	2.9
116.06228	2.6
117.06992	1.9
119.04969	0.7
119.08573	1.8
121.10101	0.9
128.06232	7.9
129.07002	15.6
129.07970	0.8
131.04951	1.5
131.08569	15.3
132.05663	0.8
133.06493	2.6
133.10109	2.2
135.08041	0.8
141.06973	6.7
142.07797	4.5
143.05017	0.8
143.08548	2.6
144.05688	6.6
145.06496	4.4
145.10126	1.0
146.07231	2.6
147.04459	0.8
147.08098	1.3
153.07040	1.4
155.06013	1.7
156.05699	1.7
157.06500	6.8
157.10188	0.8
158.07260	1.8
159.04404	0.9
159.08055	23.8
160.05145	1.0
161.05957	3.2
161.09608	7.0
167.06998	0.8
169.06374	1.4
169.07625	2.7
170.07263	6.4
171.04485	0.8
171.08014	5.2
172.05185	2.8
173.05974	2.7
174.06839	1.6
175.07549	2.5
178.06238	1.1
184.05263	0.9
185.05890	0.8
186.06807	1.1
187.07539	14.5
187.09233	0.8
188.08289	0.9
189.05544	3.3
189.09082	7.4
190.06270	1.1
191.07106	0.9
193.08667	0.6
198.06729	2.0
199.07491	2.0
201.05490	0.8
203.07047	4.9
204.07819	9.3
205.08649	1.2
216.07817	3.3
217.08545	0.9
218.09395	1.2
219.10213	1.8
221.08139	0.7
221.11740	2.8
231.10123	5.7
231.13647	0.9
234.08812	1.0
240.06854	0.6
249.11217	100.0
250.11581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1269
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
53.03937	0.4
55.05513	10.5
56.05037	4.0
56.96581	0.3
57.05813	0.8
57.07080	0.3
60.95866	0.5
61.01148	1.8
61.52299	0.2
70.05240	0.7
70.05612	0.2
70.06597	0.6
72.08158	100.0
73.05194	0.2
73.08495	0.7
74.06065	0.4
78.59788	0.2
84.04497	0.6
84.08180	0.6
86.09721	0.4
90.06379	0.2
93.07062	0.4
94.07399	0.3
98.97601	0.4
101.00882	1.5
102.00972	1.5
102.03741	0.3
102.05555	0.8
103.05501	1.1
104.05321	6.6
104.05919	0.4
110.09688	0.3
118.03531	0.9
119.01920	4.3
119.03593	1.5
120.02015	5.4
120.08118	4.9
121.01701	0.8
121.08442	1.9
130.05022	0.4
133.03191	4.2
137.02974	0.9
137.04636	0.3
138.03078	1.0
146.74689	0.3
150.05847	18.7
155.11739	1.4
161.09700	0.2
162.76854	0.2
183.74864	0.2
201.12357	0.8
203.05670	0.3
203.07277	1.5
203.12102	1.2
204.05676	0.5
207.06775	0.6
222.06734	1.5
231.06934	0.5
231.17906	0.3
235.76819	0.2
240.07962	0.4
249.07919	4.6
249.12714	5.4
249.15530	0.3
249.18825	0.6
250.06007	1.4
267.08942	3.7
268.07343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0309
Annotation	Diazodiphenoquinone
Peak:m/z	Relative Intensity
56.44995	0.9
59.13087	0.8
70.83410	1.1
94.92976	1.5
98.98466	30.6
118.94103	3.3
128.62411	0.9
134.29189	0.9
174.99202	1.4
190.99818	7.1
193.37975	0.8
209.00865	9.2
218.01904	1.0
251.03079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
50.63776	0.9
53.03953	1.5
55.01876	2.4
55.05514	2.9
59.05007	11.5
65.03951	2.1
67.05508	9.1
67.79308	0.9
69.03451	4.3
69.07076	5.7
71.04997	4.5
71.24194	1.0
77.03937	1.6
79.05499	14.6
81.03381	1.3
81.07060	15.2
82.54091	0.9
83.04995	4.1
83.08656	1.0
85.06552	2.1
91.05477	11.2
93.07050	17.0
95.04970	11.1
95.08627	5.1
97.06525	6.8
98.98473	67.7
99.04458	6.6
105.07033	25.0
107.04952	13.8
107.08585	9.2
109.06518	10.9
111.08060	1.6
115.05470	1.4
116.99522	1.0
117.07032	8.8
118.00385	0.8
119.04969	3.5
119.08566	8.3
121.06513	15.1
121.10152	4.1
123.04450	1.1
123.08076	1.2
125.05994	3.3
127.07545	2.3
128.06247	2.2
129.06996	2.7
130.07813	3.9
131.08578	10.1
133.06500	6.3
133.10152	2.8
135.08086	3.9
135.11710	2.7
137.05971	9.9
139.07549	6.3
141.07069	1.4
143.07094	1.6
143.08566	4.3
143.28949	0.9
144.09367	3.1
145.06479	4.4
145.10129	52.7
147.08067	3.1
147.11705	3.0
148.08813	3.3
149.09575	1.7
151.07564	2.2
154.07790	2.7
155.08607	1.3
157.08621	1.8
157.10179	1.3
158.07224	1.8
159.08064	3.4
159.11707	17.5
161.13310	2.0
163.11191	100.0
163.39961	0.9
164.11569	2.2
169.10165	3.9
171.11739	1.9
172.08887	2.1
173.09641	24.1
174.99260	3.7
177.12781	3.3
179.08537	1.9
181.12190	1.9
187.11182	38.1
189.12764	1.8
191.07010	1.1
191.10655	17.3
197.09641	7.8
205.12254	17.2
215.10692	31.6
216.11037	1.0
233.11734	22.4
233.15308	1.0
234.00462	1.1
234.12173	1.0
251.06972	1.2
251.12836	10.6
251.16417	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	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87648	0.5
55.01860	2.0
55.05505	1.1
58.00050	0.6
59.05000	1.5
67.05500	6.2
69.03422	1.8
69.07068	2.4
69.48720	2.6
70.06586	0.9
71.04999	2.8
77.03909	0.7
79.05496	8.1
81.06616	1.1
81.07056	10.2
83.04979	1.6
83.08595	1.2
85.06529	4.0
91.05473	7.4
92.03666	0.6
93.07037	16.3
93.07599	1.0
95.04959	7.1
95.08602	3.6
97.02882	0.7
97.06533	5.3
98.22678	1.1
98.98466	100.0
99.04477	2.8
99.12654	0.5
105.04517	0.9
105.07026	11.4
107.04955	5.1
107.08588	5.5
109.06520	10.4
109.10166	0.7
111.04463	1.0
111.08057	3.1
113.05975	0.6
115.05491	0.7
116.99511	2.4
117.07017	3.9
119.04963	2.5
119.08581	5.0
121.06505	10.5
121.10152	3.0
123.04335	0.8
123.08076	1.2
124.30408	0.6
125.06001	1.8
127.07555	3.3
128.06235	0.8
129.07022	1.4
130.07784	2.0
131.08565	5.5
133.06485	3.2
133.10150	2.6
135.08066	1.6
135.11693	1.1
137.05959	3.5
139.07541	7.9
140.01115	0.6
141.07018	1.4
143.07022	0.7
143.08575	2.6
144.09361	1.6
145.06502	2.2
145.10126	18.4
147.08051	1.1
147.11700	1.5
149.09628	0.8
151.07530	0.8
154.07797	2.2
155.07005	0.9
155.08585	1.0
157.08600	4.5
158.07274	2.1
159.08081	2.0
159.11685	9.8
161.09625	0.8
163.07507	0.8
163.11180	15.6
167.10690	1.4
169.10101	3.8
172.08868	1.3
173.09636	7.3
174.99213	3.5
177.12704	2.8
179.08578	2.4
182.07285	0.9
187.11172	18.2
191.10661	4.7
197.09622	6.3
200.49635	0.5
205.12227	8.1
215.10670	18.8
218.70906	0.6
233.11716	7.5
233.15344	1.2
251.12715	6.9
251.16570	2.2
251.20134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.4
56.96574	0.4
57.03436	2.2
60.38888	0.3
67.05500	0.7
68.05053	0.5
69.03436	0.4
69.92490	0.7
69.92857	0.6
70.06593	100.0
71.04980	0.4
71.06937	0.3
72.08160	3.4
79.05499	0.6
81.07075	0.6
84.08162	0.8
85.02902	0.4
85.06549	0.4
89.06048	0.6
91.05486	0.4
93.07049	1.0
95.04975	1.1
96.08128	0.3
97.65314	0.3
98.98468	36.9
107.07378	0.4
108.08134	1.5
109.06538	0.4
113.06026	1.5
116.99495	0.6
119.08589	1.0
121.08846	0.3
126.09161	2.5
134.09653	1.1
136.06197	0.9
136.07582	0.8
136.11221	6.3
137.06012	0.9
137.09641	0.7
138.12807	0.7
144.04953	0.4
147.08090	0.7
154.12340	0.4
164.10715	5.2
165.09091	2.3
174.99280	1.5
182.11768	32.5
183.12053	0.4
208.99785	0.4
225.17065	0.3
225.19424	0.3
233.16512	5.0
251.17697	2.2
260.88049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28029	0.2
55.05513	0.2
57.03438	1.9
61.27797	0.2
67.05508	0.8
68.05032	0.4
69.88747	0.2
70.02164	0.7
70.06596	100.0
71.06930	0.5
72.08151	1.2
79.05493	0.4
81.07050	0.3
84.08165	0.4
84.88715	0.2
85.06540	0.5
86.09682	0.4
88.07634	0.3
91.05500	0.8
93.06489	0.2
93.07019	1.2
94.06599	0.2
95.04979	1.7
95.08609	0.2
96.08125	0.3
97.30202	0.2
98.22758	0.5
98.98473	33.6
101.43355	0.2
108.08135	1.6
109.06519	0.5
109.10161	0.3
113.06010	1.1
116.99531	0.4
119.08570	1.0
122.09667	0.3
126.09156	2.4
134.08507	0.4
134.09659	1.1
136.06216	0.3
136.11218	5.9
137.05945	0.4
137.09651	0.7
138.12784	0.8
147.08037	0.8
154.12282	0.4
164.10736	5.9
165.09152	2.5
174.99294	1.4
177.05370	0.3
182.11774	33.5
183.12135	0.3
205.13422	0.3
233.16493	4.3
251.13701	0.5
251.17612	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	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
69.70844	1.1
71.04990	0.9
73.02898	1.3
78.79849	0.4
81.03406	0.8
88.67241	0.4
88.67893	0.4
98.98465	27.8
99.04461	1.1
116.99468	0.6
117.05478	2.5
119.03527	0.6
119.38554	0.4
125.58849	0.3
136.06184	100.0
137.06546	0.5
145.96677	0.7
163.97778	0.6
174.99136	0.4
205.98782	1.9
229.00386	1.1
241.12631	0.4
252.10863	2.8
252.15924	0.8
259.45041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90677	1.0
59.04841	1.1
69.03400	1.5
70.06603	2.0
70.46638	2.3
71.01389	1.1
72.08171	2.2
73.06534	2.1
75.66914	1.3
78.93642	1.0
82.19407	1.1
84.08143	2.7
85.02891	3.4
91.05479	4.5
94.93018	100.0
96.92802	5.4
98.92641	2.6
98.98469	30.0
100.95290	1.3
103.03946	1.3
108.94576	1.6
110.07159	7.7
119.04945	4.8
120.08105	2.5
122.92520	1.5
123.04423	1.4
131.03410	2.6
136.06200	4.5
136.07591	21.5
136.94035	1.9
152.93498	2.3
159.02950	5.8
165.05478	1.7
178.91652	2.4
178.93292	16.7
180.73515	1.1
182.08194	3.0
192.92989	11.0
194.94594	2.7
208.76723	1.2
210.88214	2.0
210.94052	16.7
219.05090	3.5
220.92497	1.3
235.11848	1.9
252.89345	2.5
252.95270	12.7
253.11919	2.9
254.45476	0.9
261.90143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1184
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.57539	0.4
55.19267	0.4
57.07073	0.7
60.04526	23.0
66.71809	0.4
67.05467	0.4
67.37813	0.4
69.03417	0.7
69.61832	1.5
69.62160	0.4
70.06581	0.7
71.05038	0.4
71.37609	0.4
77.14521	0.4
81.03427	0.4
81.07047	0.5
85.02887	0.7
87.05577	0.6
91.05499	0.5
95.08626	0.4
97.02907	0.5
98.23428	0.8
98.98463	100.0
100.98898	1.0
103.05478	1.6
105.06945	0.4
107.04919	0.5
109.10236	0.4
109.77142	0.4
110.07150	1.0
116.99465	2.0
120.08100	36.5
121.08377	0.8
123.04472	0.5
131.04936	1.0
132.08124	0.7
141.05435	0.7
144.08099	0.9
149.05946	0.7
159.02861	0.4
162.09167	1.3
166.08635	23.7
172.41122	0.4
174.99196	2.3
176.98859	2.8
197.11726	1.2
207.11284	5.5
219.05029	0.7
235.10684	2.1
253.11835	6.5
253.14868	0.6
263.58521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01865	1.8
55.05266	0.7
55.05513	11.5
56.96557	0.7
57.03437	5.7
60.04515	1.7
61.02927	9.0
62.66256	0.7
66.90453	0.7
69.03427	18.9
69.28721	0.6
70.06595	1.0
71.01346	3.4
71.05000	1.3
71.43964	0.7
72.08148	1.6
73.02915	3.1
73.06556	54.8
75.04464	1.1
77.85693	0.6
78.73392	0.6
81.03424	5.8
84.08137	1.1
85.02903	100.0
87.04461	1.6
87.05493	0.6
91.03970	4.3
91.05459	1.0
93.03703	0.6
97.02890	21.6
97.03484	1.4
98.98463	34.5
99.04474	3.4
101.02385	1.2
103.03953	2.3
103.05470	2.2
107.04973	0.7
109.02889	8.7
110.07165	3.7
115.03967	1.2
119.04890	0.9
120.08104	42.2
123.04500	0.8
127.03918	21.3
131.03410	1.7
136.07597	3.2
145.04953	23.0
150.05504	9.1
157.05017	0.7
159.02893	6.8
163.06029	4.2
166.08653	1.0
174.99222	0.9
176.98935	1.1
191.05562	1.0
195.11320	0.7
208.09755	0.6
212.07744	1.5
216.98741	1.3
219.04958	4.9
230.08739	1.1
253.12018	2.1
270.99567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	0.4
69.19774	1.9
81.07045	0.7
93.07056	0.5
98.22653	0.5
98.98461	13.1
107.71245	0.3
109.02923	0.7
119.08625	0.3
121.06576	0.3
133.10132	0.5
144.99617	0.3
147.11685	0.3
151.11189	0.3
174.99301	0.3
177.12878	0.4
235.13086	1.0
253.14098	100.0
254.14433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06803	1.2
61.02937	6.7
62.39984	1.3
70.45284	2.8
71.01347	6.9
75.04486	11.9
87.04475	3.9
89.02394	1.7
93.77864	1.6
94.64306	1.3
103.03934	18.7
108.38796	1.4
108.85040	1.3
121.08446	1.2
121.73304	1.1
131.03380	6.4
159.02898	43.7
167.09033	2.5
187.02425	3.9
219.04996	100.0
220.05270	1.3
245.98778	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40085	1.4
53.81412	1.1
61.02932	8.5
63.76167	1.4
64.96735	1.4
69.74589	3.2
69.74905	1.2
71.01339	7.3
75.04485	15.5
87.04472	5.8
89.02406	3.2
91.64194	1.4
96.90469	1.2
103.03946	21.7
109.82153	1.2
121.67574	1.3
131.03400	5.8
159.02907	53.5
168.91830	1.4
187.02405	5.9
219.05003	100.0
220.05392	1.9
225.89049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	6.7
60.46518	4.1
61.02951	4.2
70.38188	8.1
71.01354	8.0
75.04482	13.7
79.03768	3.9
87.04475	5.3
98.97552	4.0
98.97792	6.4
98.98461	97.5
103.03954	21.9
104.99303	11.2
116.90096	4.0
120.08173	5.0
131.03368	10.6
155.28647	4.5
159.02881	45.3
165.20506	4.4
211.98430	5.7
219.04980	100.0
253.94695	8.4
254.17479	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12381	5.9
68.52586	6.0
70.26156	14.4
73.65829	8.1
82.45764	5.8
90.63728	6.6
94.93014	19.0
98.22750	7.7
98.98447	17.9
100.63818	6.7
110.07156	11.1
112.89603	100.0
114.89368	19.3
137.97269	6.7
156.07671	8.9
158.31302	6.9
180.90388	16.9
181.96136	18.9
196.87798	70.6
254.80528	10.8
254.86343	20.2
255.02206	7.8
255.06299	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
55.40777	0.9
56.96556	1.5
57.03447	1.3
68.26842	0.9
69.07064	2.9
72.08163	1.5
83.06116	1.3
86.09699	46.3
90.17120	1.1
94.63856	1.1
94.87388	1.0
97.06529	4.0
98.98466	14.7
100.02493	1.3
101.00871	12.4
101.02354	1.2
110.07156	17.3
118.03528	4.0
119.01911	35.4
119.43870	1.1
120.02012	1.1
123.05526	1.3
125.05896	0.9
126.04207	1.0
129.01833	1.9
130.03503	1.3
131.01918	2.6
137.02966	8.5
137.13725	0.9
144.05080	1.2
144.08687	1.4
154.03613	1.1
154.82605	1.0
156.07715	4.3
168.08743	3.2
172.04515	2.3
173.06653	1.1
186.09747	37.4
186.11371	2.2
189.03958	4.2
196.08200	2.1
197.06610	1.2
204.10800	12.2
209.14001	1.6
214.09235	47.3
215.07632	3.6
232.10292	100.0
233.10490	2.8
255.12007	1.7
255.14510	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
52.66698	1.6
53.03932	3.0
55.01857	4.1
55.05258	2.2
55.05509	25.7
57.03438	49.1
57.07062	4.8
65.03926	2.0
67.05506	80.3
69.03422	3.1
69.07070	21.5
69.19157	8.4
70.06593	2.7
71.01351	5.2
71.04985	8.2
77.03929	1.9
79.05493	68.1
81.03416	8.5
81.07051	35.5
83.04980	23.4
83.08623	7.3
85.06525	6.1
91.04945	1.9
91.05478	27.4
93.07048	79.2
95.04958	9.0
95.08618	11.3
97.06524	19.2
97.10184	14.1
98.98470	10.6
99.04446	2.2
99.08082	3.1
100.07601	3.0
105.04498	1.8
105.07007	6.2
106.24471	1.6
107.04942	3.0
107.08595	55.9
107.12938	1.5
109.10153	8.3
111.08100	4.1
117.07032	8.2
119.08624	7.8
121.10153	12.3
125.09614	4.9
133.10100	5.9
135.08057	2.6
135.11693	100.0
137.09584	3.3
145.10126	15.9
153.12657	3.5
163.11159	15.0
181.12233	16.0
199.13144	1.8
249.88103	1.9
254.24803	2.3
255.15886	88.4
255.25093	5.4
256.16183	2.5
256.26337	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01874	4.4
55.05508	28.1
56.79316	2.9
57.03436	53.0
57.07079	12.8
67.05508	88.8
69.07078	26.1
69.73447	12.9
70.06595	9.5
71.01340	5.2
71.04969	7.7
71.08617	5.1
79.05495	82.8
79.27187	3.2
81.03419	11.5
81.07052	40.6
83.04985	24.1
83.08623	8.4
85.06538	6.6
88.07626	10.6
91.05473	30.2
93.07047	96.6
95.04969	11.0
95.08617	13.2
97.06538	26.8
97.10166	17.8
98.23534	3.3
98.98483	31.1
100.07615	3.1
102.09191	6.4
104.99279	6.4
105.07018	10.4
107.04928	3.6
107.08591	64.5
109.10136	14.7
117.07034	7.2
119.08604	10.4
121.06468	3.0
121.10131	13.9
125.09681	4.8
133.10110	5.9
135.08005	3.8
135.11693	100.0
137.09578	3.1
145.10109	17.4
153.12729	4.7
163.11205	12.2
170.76666	3.0
181.12170	18.4
199.11398	3.0
222.48875	3.2
255.15880	89.2
256.26382	74.9
256.28433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
50.30901	0.2
55.01871	2.9
56.05006	0.2
57.03434	5.2
59.04985	0.5
61.02918	0.8
69.03428	2.0
70.06570	0.2
71.01360	1.3
71.45082	0.2
73.02915	2.8
75.04480	0.2
75.62406	0.2
79.24377	0.2
80.05011	1.3
82.01452	0.3
83.06116	1.0
83.06535	0.2
85.02476	0.3
85.02907	3.6
86.06051	0.4
87.04448	0.8
96.04474	0.6
97.02881	1.1
97.07632	0.3
97.27651	0.2
99.02957	0.3
99.04797	0.2
100.02495	0.3
101.00874	0.3
101.02366	0.7
103.03947	0.8
103.66826	0.2
109.07635	0.3
109.08421	0.2
110.07137	1.5
111.07470	0.3
114.05517	1.6
114.68068	0.2
115.03918	2.8
117.03985	1.1
119.01926	0.5
121.30213	0.2
124.03945	100.0
125.04262	0.5
127.02361	0.2
127.05044	0.5
129.01840	0.8
133.04959	4.4
135.05040	0.4
140.05551	0.4
143.03404	0.4
145.03499	0.5
155.08144	4.1
156.51315	0.2
157.01317	0.6
158.06612	0.5
161.04439	0.6
168.05038	0.2
184.04559	0.5
189.02460	0.3
189.03954	2.0
203.05519	0.9
212.04056	0.5
219.09329	0.2
256.08228	0.4
256.12808	1.7
256.15222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.2
57.03436	26.9
59.04999	7.5
61.02931	2.0
70.00861	3.5
71.01342	8.7
71.04986	6.8
73.02920	11.8
75.04472	3.2
82.37140	1.6
83.01355	4.5
84.08077	1.8
85.02893	10.1
87.04474	14.0
89.02385	6.6
94.92477	1.6
94.93015	9.9
95.01321	2.0
96.92842	1.6
101.02380	31.7
103.03940	3.9
111.00819	2.6
111.07515	1.7
112.89592	21.0
113.02423	2.1
115.03123	2.3
115.03931	35.5
123.05530	4.9
124.03943	43.8
124.05906	4.6
127.03923	2.1
129.01843	40.7
133.04956	10.8
136.94023	21.4
141.01819	3.2
143.03406	21.7
145.04890	2.5
148.94037	26.6
150.01585	1.5
150.02823	1.6
157.01320	29.0
158.16013	1.8
159.02901	1.7
161.03159	3.0
161.04446	34.9
166.95085	12.4
171.02876	14.3
171.25822	1.7
182.94603	4.3
189.03937	100.0
203.05490	34.4
207.04976	4.5
217.72853	1.9
221.06644	11.5
224.07613	1.7
255.69104	1.7
256.06833	2.6
256.15454	3.5
256.18970	2.5
279.41180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.4
56.38015	1.6
57.03438	23.6
59.05007	7.4
61.02921	1.9
69.03440	2.1
70.65834	2.0
71.01350	7.0
71.04996	8.2
73.02914	8.0
75.04485	4.3
83.01347	3.9
85.02908	13.4
87.04469	13.1
89.02403	5.6
94.93021	4.8
95.01348	1.8
98.83893	1.5
101.02380	28.4
103.03979	1.9
110.07183	1.4
111.00813	2.7
112.89622	5.9
115.03932	33.6
115.04704	2.0
123.05626	1.6
124.03964	10.7
124.05864	2.1
127.03939	3.0
129.01840	45.2
133.03970	1.3
133.04929	7.6
136.94012	7.3
141.01854	2.7
143.03395	23.8
145.04961	4.6
147.02881	1.8
148.94046	6.5
157.01318	30.4
159.02927	1.9
161.04460	35.8
166.95050	3.3
171.02902	14.7
189.03935	100.0
190.04384	1.6
203.05489	33.8
207.05066	3.7
221.06660	8.8
224.07722	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	256.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.7
56.96548	1.7
57.03178	1.9
57.03439	24.1
59.05002	9.4
61.02924	4.2
68.67239	1.2
69.03430	4.2
70.06588	2.0
71.01353	8.7
71.04997	8.0
72.08163	1.4
73.02917	14.5
75.04465	3.8
81.03441	1.8
83.01353	3.4
84.08160	2.5
85.02906	33.5
87.04475	15.6
87.13672	1.2
89.02396	6.3
91.03947	1.9
95.01331	2.5
97.02869	5.9
98.97598	3.4
99.04464	2.6
101.02386	36.5
103.03985	1.9
109.02879	1.9
110.07150	1.4
111.00800	2.7
111.07442	1.4
113.02399	2.5
115.03936	40.3
115.33923	1.1
116.98615	2.8
119.03374	1.7
124.03961	5.8
127.03950	6.1
129.01843	52.8
133.04935	7.6
141.01816	3.6
143.03406	27.1
143.04451	2.4
145.04973	9.6
147.02864	2.2
157.01317	36.4
161.04457	39.6
163.05988	5.7
170.13684	1.3
171.02890	16.9
175.05940	1.4
189.03943	100.0
203.05505	35.0
207.05083	2.2
221.06548	9.1
224.07695	3.4
233.10507	2.5
274.97360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49887	0.5
55.05493	1.6
55.15445	0.4
56.96565	2.7
57.03433	7.4
67.05498	5.3
69.03410	0.5
69.07064	2.3
70.06579	0.6
70.34171	1.0
71.04990	1.3
72.08147	3.1
79.05490	7.1
81.03404	0.8
81.07053	6.9
82.78186	0.4
83.04978	1.8
83.08582	0.5
85.06535	1.0
85.08923	0.5
89.06013	0.5
91.05479	9.6
93.07043	18.0
95.04979	2.5
95.08608	3.5
96.08144	0.6
97.02934	0.6
97.06528	3.5
98.09682	3.6
98.96986	0.7
98.97584	11.6
98.98435	1.0
99.08076	1.4
105.04575	0.5
105.07030	7.9
107.04967	1.1
107.08586	4.0
109.06503	1.6
109.10155	1.5
116.98616	8.1
117.07002	1.2
119.08571	4.3
121.06501	1.7
121.10142	0.9
123.04380	0.5
123.08031	0.7
125.05997	0.5
131.08562	1.3
133.06480	2.4
133.10130	8.2
134.99652	4.4
135.08064	1.1
137.08699	0.4
137.09579	2.6
140.00179	0.5
147.08038	0.6
147.11674	7.7
151.11174	1.0
153.00700	0.8
157.10150	1.4
158.01227	0.4
165.12697	2.3
175.11200	4.0
190.95374	1.1
193.12234	1.9
194.19049	0.4
212.20114	0.9
227.83272	0.5
232.96480	1.4
238.18024	1.4
256.19064	100.0
256.96439	1.3
257.19379	1.9
274.97510	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	256.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
56.05044	0.7
57.03439	0.7
58.06587	1.4
65.03922	0.3
67.05510	3.8
69.07057	1.4
69.79211	0.6
69.79572	0.7
70.06593	10.4
70.06982	0.5
71.04986	0.9
72.08166	0.6
72.17365	0.3
77.32236	0.3
79.05492	4.3
81.06622	0.5
81.07063	5.3
82.06597	1.9
83.04971	0.4
84.08138	1.5
85.02933	0.4
85.06554	0.6
85.87577	0.3
86.09704	0.7
86.56407	0.3
89.36536	0.3
89.99993	0.3
91.05466	2.0
93.07044	4.6
94.06564	0.6
95.04965	0.7
95.08608	3.1
96.08134	3.7
97.06527	0.9
97.08926	0.7
98.06062	0.4
98.09689	2.0
98.97575	1.3
105.07021	1.2
107.04935	0.4
107.08616	1.6
108.08103	0.7
109.06530	0.7
109.10139	1.0
110.09692	1.7
111.08083	0.3
114.09236	0.4
116.07091	0.3
116.98586	1.1
117.07084	0.6
119.08584	1.7
121.06471	0.7
121.10174	1.9
122.09634	0.8
124.11185	0.4
126.33604	0.3
128.10712	0.7
129.06955	0.5
131.13922	0.3
133.10191	0.8
135.11684	0.7
136.11183	0.8
136.83472	0.3
138.12753	0.6
142.12234	0.4
145.10158	0.5
147.79695	0.3
149.09579	0.7
152.10751	0.4
156.10141	0.3
161.13248	0.5
163.11061	0.5
170.11847	0.4
190.97786	0.3
192.17456	1.1
194.19037	4.3
194.20625	0.5
196.16972	1.0
198.70465	0.3
220.16968	8.0
232.59076	0.4
238.18022	35.1
239.18311	0.9
256.19077	100.0
257.19452	1.9
274.97543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1908
Annotation	N-decanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
55.01859	0.5
55.05500	0.6
56.96550	0.7
57.03435	9.0
62.00709	0.4
67.05499	4.0
69.07047	1.5
69.79601	0.9
69.79984	0.7
71.04986	0.5
72.08158	3.4
79.05501	5.5
81.07059	4.2
83.04984	0.9
84.08133	0.6
85.06532	1.1
91.05486	6.3
91.57127	0.3
93.07045	17.6
95.04967	2.2
95.08593	2.2
97.06512	1.9
98.09708	2.8
98.97591	5.7
102.09197	0.4
105.04555	0.6
105.07033	3.6
107.08591	2.5
108.54575	0.4
109.06535	1.0
109.10148	0.9
111.08085	0.6
116.98624	2.8
119.08595	2.9
121.06483	1.6
123.04379	0.5
125.77921	0.4
131.08519	0.4
133.06477	1.2
133.10139	2.2
134.99614	0.5
135.08047	0.9
137.09618	2.3
147.11703	3.8
156.78032	0.4
157.10059	0.7
158.22345	0.4
165.12717	1.6
175.11180	1.0
193.12263	0.4
211.15163	0.7
212.20094	1.0
232.96486	0.5
238.18063	1.2
239.14720	0.8
256.19073	100.0
256.96841	0.5
257.19391	1.9
274.97525	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	256.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.1
57.03429	2.5
67.05497	1.8
69.07067	3.0
70.06578	1.2
71.04995	1.8
71.45516	0.6
72.04501	1.1
72.08145	3.3
79.05499	4.4
81.07046	2.3
83.04971	0.9
85.02889	1.0
89.05434	0.6
89.06007	1.3
91.05473	4.2
93.07040	3.8
95.04955	1.8
95.08608	1.2
97.06527	10.9
98.09687	8.2
98.97575	19.9
98.98315	1.1
98.98480	1.1
99.04393	0.9
99.08070	1.6
105.07034	2.5
107.04950	0.6
107.08577	1.7
109.06517	1.3
112.11227	2.3
116.98622	15.0
119.08575	6.1
125.06022	1.3
128.10715	1.0
129.07008	1.0
131.08578	1.3
132.95770	0.8
133.10133	3.1
134.99644	6.7
135.08029	0.9
137.09616	2.0
142.12277	6.8
147.11687	3.1
153.00745	0.8
157.10103	1.4
172.94362	1.2
175.11266	2.9
177.20712	0.6
181.75441	0.6
190.95398	1.5
193.12231	0.8
194.81839	0.6
208.96526	0.8
232.96425	1.3
238.18053	3.3
239.14813	2.0
250.97557	1.5
256.19070	100.0
256.26364	2.2
256.96454	2.5
257.19400	2.1
274.97504	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	256.1909
Annotation	N-decanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
55.01867	0.3
55.05510	0.4
56.05023	0.5
56.96563	0.2
57.03436	3.3
57.03701	0.4
58.06612	0.3
60.27518	0.2
65.03047	0.2
67.05504	1.0
69.07068	1.4
69.43359	0.8
69.43720	0.3
70.06575	0.7
71.04983	1.5
72.04496	0.6
72.08160	2.9
79.05495	2.1
81.03369	0.2
81.07056	1.6
83.04984	0.4
84.08137	0.9
85.02890	0.2
85.06539	0.2
85.08910	0.3
86.09708	0.3
89.06043	0.2
90.42950	0.2
91.05480	2.4
92.35521	0.2
93.07044	3.1
95.04976	1.0
95.08625	1.0
96.08134	0.4
97.06530	4.9
98.09697	9.0
98.97594	1.4
99.04437	0.7
99.08100	1.0
100.88667	0.2
102.09151	0.3
105.07015	1.0
107.04954	0.2
107.08607	0.7
109.06512	1.2
109.10164	0.5
110.09721	0.2
110.72856	0.2
111.08048	0.2
112.11231	0.2
112.97625	0.2
113.05969	0.4
116.98627	0.9
117.07021	0.5
119.08589	3.8
121.06518	1.0
121.10145	0.4
123.04426	0.2
123.08105	0.3
124.11203	0.4
128.10730	0.6
129.07013	0.3
131.08566	0.3
133.10139	1.7
135.08069	0.9
137.09622	1.2
142.12276	4.6
147.11676	1.1
149.09601	0.3
151.11197	0.3
157.10130	0.6
175.11177	0.6
193.12271	0.5
238.17984	1.8
256.19073	100.0
257.19431	2.4
274.97473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2272
Annotation	Andrachcine
Peak:m/z	Relative Intensity
53.03934	0.6
55.01863	1.2
55.05509	3.7
56.05029	1.2
57.03437	10.2
58.06603	0.7
61.54539	0.4
63.01376	0.4
65.03928	0.5
67.05162	0.6
67.05503	10.8
69.06706	0.6
69.07066	8.5
69.12753	2.4
70.06580	0.7
71.04990	1.3
72.04527	1.0
72.08156	7.0
73.06554	0.4
78.93536	0.4
79.05492	10.8
81.07054	26.4
82.07427	0.4
83.04970	0.8
83.08627	0.9
84.08148	0.3
85.06548	0.7
85.08936	0.3
90.82236	0.4
91.05476	3.5
93.07048	9.8
95.04984	0.8
95.08605	19.2
96.08161	0.6
97.06527	5.8
97.10143	0.3
98.09692	13.9
98.97565	1.0
99.08092	9.7
102.09174	1.1
105.07040	2.5
107.08588	3.0
109.06577	0.3
109.10150	2.5
110.09659	0.4
111.08070	1.6
112.11280	0.5
113.09644	4.9
115.07584	1.2
116.98662	0.5
117.12841	0.4
119.08584	2.1
121.10144	2.8
123.08047	1.1
123.11707	0.5
124.11216	0.7
124.26349	0.3
133.10135	1.9
135.11705	2.5
142.12267	7.7
143.57146	0.3
147.11681	0.7
151.11156	0.7
175.14772	0.6
193.15875	0.6
220.20639	0.7
238.21626	5.3
256.22708	100.0
257.23044	2.4
274.97421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57096	2.0
57.03441	4.7
69.64604	7.9
75.16483	2.7
75.18072	2.0
75.20629	2.0
80.62722	2.2
83.22368	2.1
84.08145	2.3
85.02905	2.4
94.93016	54.6
97.26952	2.3
101.02379	3.9
110.07148	2.1
112.89611	22.1
115.03967	3.1
124.03943	4.6
129.01862	6.1
130.08760	1.9
136.94028	95.8
142.94102	1.9
143.51341	2.2
148.94023	100.0
157.01318	4.1
161.04536	2.5
166.95079	58.4
177.58087	1.9
182.94650	3.8
189.03955	6.9
190.04372	3.9
238.97153	2.5
258.17157	1.8
266.98517	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	257.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05641	7.7
63.35524	0.8
69.16898	6.0
70.06592	46.8
72.08155	1.1
81.81750	1.0
82.99868	1.1
83.00955	4.8
84.08141	1.7
86.09696	1.5
90.45245	1.0
93.88513	0.9
94.92981	0.9
97.07645	10.2
98.06038	1.0
101.00883	1.3
101.02007	4.0
103.51794	0.8
104.10746	9.1
110.07179	4.8
110.67129	0.8
112.03596	6.0
112.08733	1.5
113.70744	0.8
116.05573	1.3
118.04652	2.4
119.01961	2.4
124.03942	1.6
124.99989	2.2
125.04301	2.5
127.07117	1.3
128.05571	1.6
128.10728	1.8
130.04637	3.4
132.06145	1.1
136.94044	2.7
140.06699	2.2
142.08243	6.0
144.05109	1.2
148.94029	2.4
152.05560	1.3
152.06680	3.7
152.76659	1.0
153.09874	1.9
154.08255	5.3
155.06644	5.8
156.05037	1.4
157.10745	1.8
158.07784	1.4
160.09309	3.5
166.95079	1.2
168.06203	3.4
169.09363	12.9
170.06566	7.6
170.07832	1.0
171.06190	1.7
171.10904	24.0
172.09311	8.2
173.07745	14.2
179.06630	3.1
180.04933	1.2
186.07239	2.0
187.10403	6.4
188.07660	1.1
189.11966	18.4
197.07671	100.0
198.06107	7.9
198.07690	2.7
215.08522	75.6
216.07158	4.9
216.08716	2.8
233.10947	11.6
233.98242	1.6
238.10405	1.3
239.09886	57.1
240.10168	1.9
257.10947	37.1
258.11050	2.9
258.16876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88789	0.7
51.42983	0.7
56.96559	0.7
60.05647	6.7
69.49515	0.8
69.68338	3.2
70.06593	49.3
80.05013	0.7
82.99842	0.8
83.00962	5.6
86.52061	0.7
97.07651	10.9
98.06060	1.6
98.97579	4.3
101.00903	0.9
101.01999	2.0
112.03611	6.4
112.08698	1.1
114.72273	0.8
116.05600	1.3
116.98611	2.9
118.04658	1.3
119.01929	1.2
128.05573	2.0
130.04649	2.3
132.06091	0.9
137.92293	0.9
138.03958	1.1
140.06702	1.7
142.08299	4.6
143.06718	0.9
144.05054	1.5
152.06664	2.5
153.05023	1.1
153.09932	0.9
154.08238	4.1
155.06630	7.5
156.05084	1.6
157.10838	3.0
159.10863	1.4
160.09302	3.1
168.06194	2.2
169.09343	14.1
170.06651	5.7
170.07867	1.3
171.06129	1.1
171.10922	27.5
172.09349	6.7
173.07738	13.6
179.06610	3.0
180.05023	1.9
187.10419	4.5
188.07518	1.1
189.10342	0.6
189.11966	17.0
197.07684	100.0
198.06111	8.3
198.07736	3.6
214.42169	0.8
215.08539	78.1
216.07196	4.5
216.08746	3.2
221.08798	1.4
233.10927	10.8
239.09891	70.4
240.10149	2.2
251.32027	0.9
257.10944	38.4
260.99384	0.9
274.97498	2.6
278.16318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05663	5.2
61.88756	1.0
69.41311	3.5
69.41712	2.6
70.06593	50.4
71.82706	1.2
80.44116	1.0
83.00954	4.1
88.51590	1.0
97.07646	14.0
98.06073	1.7
98.22703	1.2
101.01990	3.0
110.07192	1.0
112.03589	9.9
114.05124	1.2
116.05572	1.2
118.04676	1.5
119.01899	1.1
128.05600	1.1
130.04570	2.4
132.06247	1.6
137.05638	1.1
140.06686	1.6
142.08318	6.0
142.64525	1.1
144.05017	1.6
152.05562	2.0
152.06679	3.8
153.09911	1.7
154.08240	3.2
155.06676	8.5
156.05031	2.8
157.10728	1.0
160.09282	1.7
168.06277	2.4
169.09349	13.4
170.06537	5.9
170.07852	1.2
171.09511	1.8
171.10915	23.5
172.09305	5.3
173.07727	11.1
179.06628	2.3
180.04948	2.2
180.06386	1.2
187.10413	4.1
188.07727	1.5
189.11977	11.6
197.07681	100.0
198.06108	8.0
198.07449	1.9
215.08516	64.5
216.07059	3.6
216.08598	3.7
233.10991	8.5
239.09892	53.7
241.32518	1.2
257.10953	34.8
258.11331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	0.8
55.01867	0.9
55.05254	0.7
55.05508	5.8
56.96566	1.3
57.03435	14.0
57.07073	1.9
57.99163	0.4
65.03938	0.7
67.05503	12.2
69.07066	4.1
70.35390	1.1
71.04973	0.6
71.08641	0.8
72.08160	2.8
79.05494	6.8
81.07056	11.5
82.00731	0.5
83.08620	4.6
85.06535	1.9
85.45736	0.6
88.07624	1.2
90.09185	1.4
91.05480	14.8
91.06047	0.8
93.07045	6.9
95.04981	0.9
95.08607	10.1
97.06535	1.7
97.10172	1.3
98.97573	8.5
99.08078	3.9
102.09135	0.6
103.05473	0.9
105.04470	0.6
105.07030	12.9
106.14107	0.7
107.08598	3.6
109.06505	1.9
109.10159	2.1
111.08102	1.4
113.70063	0.5
115.05443	2.1
116.98627	4.8
117.07015	28.9
119.08570	10.5
121.10126	2.1
127.39622	0.5
128.06227	4.5
129.06996	25.2
130.07774	3.9
131.08560	28.8
133.06483	1.6
133.10127	6.0
134.99649	2.3
135.08049	1.3
135.11734	1.0
137.09474	0.4
141.06941	4.5
142.07768	2.8
143.07419	0.9
143.08553	19.2
144.09305	2.2
145.06570	1.1
145.10120	50.1
147.08054	0.9
147.11667	6.3
149.09618	1.5
153.07014	0.6
154.07768	1.1
155.08527	5.6
156.09332	1.5
157.10123	22.3
159.11685	41.7
160.91302	0.5
161.09599	4.1
161.13254	1.6
163.11154	1.2
167.08582	0.7
168.09430	0.8
169.10123	11.6
170.10820	1.2
171.11678	8.4
172.94345	0.7
173.09607	2.0
173.13245	11.6
175.11200	3.2
177.12698	0.8
181.10156	0.7
182.10980	0.8
183.11684	12.1
185.13252	71.7
186.13669	1.5
187.11201	1.7
187.14746	0.7
189.12756	1.0
197.13255	9.0
198.13754	0.9
199.14819	2.1
201.12714	1.5
201.16374	7.1
210.13940	1.2
211.14867	4.2
213.16284	1.1
215.14377	1.2
215.17934	0.7
229.15775	0.6
229.19466	6.6
232.96463	0.7
239.17946	24.4
240.11511	0.6
240.18266	1.2
256.26563	0.5
257.18991	100.0
257.26529	7.2
258.19379	2.1
258.27914	10.0
274.97501	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	258.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	32.1
57.34008	3.9
58.06617	18.9
62.11739	3.9
64.66103	4.0
70.06589	7.2
73.71056	3.6
83.97643	11.4
84.08131	5.5
85.71729	4.1
86.09702	9.0
92.64940	3.7
94.06561	3.9
95.11932	3.5
95.76417	3.8
96.08141	14.0
97.02901	7.4
98.97588	57.9
99.97144	4.3
99.97931	7.5
104.10762	14.1
109.10194	4.7
110.09676	9.5
111.82378	4.2
112.05103	15.4
114.09160	38.8
116.98623	33.4
117.98951	4.5
125.00013	5.2
128.00220	17.3
128.10712	62.0
134.99670	12.2
146.01254	51.2
155.99718	9.8
162.48820	3.4
164.02322	70.9
174.00803	14.9
182.03358	18.9
192.01775	5.3
198.14902	5.9
202.00302	5.1
202.56328	4.1
218.06950	29.4
228.05431	15.2
234.92223	6.5
246.06653	5.0
258.07181	37.6
258.17029	76.4
258.99847	12.7
275.97879	20.7
276.07550	100.0
277.00876	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1101
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
56.05034	0.5
57.03421	0.3
58.06596	1.1
59.07360	0.2
60.08162	9.1
67.40796	0.2
69.03408	0.3
70.06592	3.8
70.52711	0.3
71.07374	2.4
72.27950	0.2
84.04503	2.0
84.08145	2.5
85.02905	0.5
86.09707	18.0
93.65731	0.2
97.02892	6.0
98.98466	3.2
104.10741	100.0
105.11065	0.9
110.07147	0.6
110.09663	1.4
114.09189	0.3
115.08716	0.4
116.07088	1.7
124.03967	0.3
125.00004	22.4
126.06628	0.5
127.03960	0.3
128.10716	6.7
129.10219	1.3
130.04990	0.4
141.10168	0.4
143.01106	0.3
145.03485	0.4
147.29054	0.2
156.40544	0.2
169.09711	0.4
184.05682	0.5
184.07336	10.4
187.10745	1.3
191.04305	0.4
198.14888	0.3
212.10355	0.2
240.09821	0.3
241.08192	0.4
258.11032	22.0
258.14270	1.2
258.16861	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	258.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.5
56.96561	1.2
58.06604	1.6
66.27731	0.3
68.05012	1.0
69.49454	0.3
70.06590	1.7
71.05008	0.6
72.08134	0.7
76.89130	0.3
79.05505	0.3
81.07053	0.9
82.06577	1.4
84.04462	0.4
84.08133	0.6
86.09687	0.7
87.04464	0.6
90.05534	0.3
91.05469	0.4
93.07030	0.9
95.07343	1.3
96.08134	0.6
97.02888	0.7
97.06518	0.5
98.97585	4.2
99.97913	0.4
104.10751	2.5
108.08144	1.8
110.09674	14.5
114.09166	2.5
116.98623	2.6
117.98974	0.5
120.08145	0.6
128.10712	100.0
128.40985	0.3
129.11026	0.8
131.21352	0.3
134.99661	1.1
136.68327	0.3
164.02289	0.4
194.01064	0.4
258.07428	0.7
258.17001	41.4
258.99731	2.2
259.17365	0.9
275.97894	1.3
276.07599	0.6
277.00729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.05031	1.8
56.96581	1.3
57.03442	1.6
58.06599	7.0
58.98875	0.6
63.89975	0.7
67.05503	2.6
69.07085	0.9
70.06591	2.2
70.95055	1.0
71.05004	1.6
72.08154	4.8
79.05502	4.2
81.07064	2.9
82.29598	0.6
84.08144	47.2
91.05490	1.3
93.07071	0.9
95.04956	1.4
95.08603	2.3
96.08154	0.9
97.06568	1.1
98.97603	4.8
99.97924	1.5
104.63898	0.7
105.07070	0.9
107.04962	1.1
107.08602	1.1
108.08122	0.8
109.06540	1.8
110.09675	1.1
113.06015	1.2
114.91795	0.7
116.98616	2.8
117.98981	0.7
118.73067	0.7
119.08600	0.9
123.08073	2.6
127.07503	0.7
134.99655	1.7
143.07063	1.0
151.07565	2.4
154.12262	4.0
169.08598	4.0
179.15109	0.8
180.13855	7.1
196.16992	2.0
198.14891	15.3
199.02765	1.0
199.81766	0.8
217.03856	1.9
222.14992	0.9
222.18547	0.8
227.12874	1.3
235.04836	1.7
240.16054	4.1
240.19609	9.8
252.96471	0.7
258.17044	100.0
258.20654	36.4
258.99973	1.0
259.17398	2.0
275.97852	2.9
277.00751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2065
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.48549	0.2
55.01867	0.3
55.05510	2.3
56.05017	0.6
57.03433	0.5
58.04750	0.2
58.06599	3.5
59.55265	0.2
67.05505	4.0
69.07063	2.4
69.11804	1.2
70.06590	14.5
71.04974	0.5
79.05484	1.6
81.07055	8.7
82.06576	0.8
83.04969	0.4
83.08635	1.2
84.04505	0.4
84.08109	0.6
85.06521	0.6
91.05459	0.8
93.07041	1.5
95.08027	0.4
95.08602	7.7
96.08101	0.9
96.34628	0.2
97.06479	0.3
97.08864	0.2
97.10164	0.5
98.09678	1.4
98.97567	0.6
99.08057	0.2
100.85026	0.2
105.07037	1.1
107.08575	1.1
109.06488	0.3
109.10141	1.3
110.09669	0.5
117.22882	0.2
119.08604	1.0
121.10139	1.3
123.08041	0.6
123.11691	1.0
124.11231	0.3
129.87096	0.2
131.08510	0.3
133.10168	0.4
135.11659	0.3
140.10672	0.9
145.10107	0.3
147.11697	0.6
158.11716	0.3
187.14818	0.3
194.19104	0.3
212.16408	0.5
222.18517	19.2
223.18872	0.5
240.19569	53.2
241.19975	1.4
258.20633	100.0
259.20972	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	258.2065
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.05510	5.8
56.05045	0.6
57.03424	2.6
58.06592	2.4
62.13972	0.7
66.92526	0.7
67.05501	14.6
69.07067	6.6
69.43525	0.6
70.06232	1.3
70.06591	16.7
71.04989	2.0
72.08126	0.7
74.19492	0.6
79.05494	7.2
81.07052	20.2
82.06573	0.7
83.04981	1.7
83.08614	3.7
84.08145	2.9
85.02885	0.8
85.06548	1.7
91.05475	3.7
93.07048	11.6
95.08609	20.3
97.06513	2.3
97.10189	1.2
97.50188	0.7
98.09673	1.6
98.97556	1.0
105.07050	4.0
107.08589	9.6
109.06503	1.4
109.10152	8.3
117.07019	1.3
119.08598	4.0
121.06529	3.3
121.10139	9.2
123.08080	2.0
123.11705	1.6
125.09611	0.8
131.08580	4.1
133.10107	3.2
135.08043	3.5
135.11690	1.6
137.09654	1.3
138.12668	0.7
139.07558	2.0
141.09036	0.9
145.10129	3.1
147.11736	0.9
149.09619	3.0
153.09128	3.2
159.11720	1.4
161.13245	1.8
163.11156	0.8
163.14804	5.9
167.10617	1.7
187.14803	7.0
194.18983	1.1
194.98259	0.7
196.20552	0.9
198.14877	0.9
205.15869	5.0
222.18498	12.3
223.16928	8.9
240.19571	100.0
241.20033	2.5
258.07541	0.8
258.20639	87.2
259.09430	0.9
259.20990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.2
56.96566	11.6
58.06593	1.0
70.06040	1.5
70.06593	8.2
70.98116	1.3
72.08149	5.2
77.51173	1.0
83.06108	6.2
84.04510	10.0
84.08145	38.9
85.02933	1.4
85.06536	1.0
86.09702	13.9
90.71563	0.9
97.02879	3.1
98.97584	100.0
101.07153	1.2
101.10764	1.3
106.77596	1.0
110.09691	4.0
110.97607	1.2
112.07650	1.4
114.09165	1.5
116.98627	49.4
119.00233	0.9
128.10716	22.4
129.10242	5.8
129.11087	3.4
130.08623	3.7
132.10205	4.2
134.99661	10.9
140.98621	1.2
147.11279	1.9
158.99648	5.3
177.00737	3.5
197.12862	2.6
199.02214	1.6
213.08681	1.5
217.00151	3.2
235.01216	3.1
240.98724	3.0
242.14996	8.2
242.17438	2.0
243.13390	4.6
243.16997	2.8
246.88351	0.9
258.17072	9.7
258.19644	1.4
258.99796	46.9
259.04184	16.2
259.13019	1.5
259.17206	5.3
259.99902	1.4
260.19162	6.2
277.00800	52.1
277.10260	1.0
278.00983	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68984	1.0
70.03918	1.7
79.52438	1.2
84.08113	1.4
126.75330	1.0
148.93129	0.9
171.62674	1.0
198.14877	1.7
258.17105	5.9
259.04269	100.0
259.17236	2.0
260.04651	1.9
260.18558	1.6
261.36719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73815	0.8
70.68440	1.4
84.08123	2.0
198.14761	1.1
215.95767	0.9
230.16452	0.9
258.17004	1.3
259.04251	100.0
260.04526	1.4
260.18567	3.4
277.52606	0.9
279.39896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05518	0.2
57.03434	0.8
60.08154	0.4
61.02928	0.6
61.08506	0.3
69.03063	0.5
69.03431	8.8
69.70280	0.6
69.70674	0.5
70.06592	1.4
71.01346	0.8
71.04974	0.3
72.08160	0.5
81.03428	0.8
83.06094	0.3
84.04493	0.6
84.08140	3.2
84.30196	0.2
85.02908	6.7
86.09703	1.3
87.10046	0.8
91.03944	0.2
95.08593	0.4
97.02892	100.0
98.03242	0.9
98.97601	1.5
98.98471	0.5
99.04475	0.3
101.00879	0.3
104.10751	3.2
105.10454	0.4
105.11075	4.8
109.02877	0.7
110.09711	0.4
116.07113	0.5
116.98619	1.0
119.01933	0.6
124.99986	1.5
126.00344	0.4
127.03905	1.4
128.10698	0.9
129.10214	0.7
129.11086	0.7
131.01991	0.3
134.99651	0.5
145.03487	0.3
145.04964	1.0
147.07637	0.4
147.11322	0.4
161.02975	0.3
172.39275	0.2
185.07887	0.2
230.16043	0.3
234.22765	0.2
236.94122	0.4
254.95334	0.4
258.99741	1.0
259.10999	1.6
259.17166	1.1
260.18668	2.9
263.02835	0.4
277.00864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.9
55.05508	8.2
56.05038	11.9
58.99591	11.0
61.01143	2.4
67.05494	2.0
68.05016	4.3
69.07058	2.6
69.13047	7.8
74.00651	2.5
76.02241	2.2
76.04003	4.6
79.05493	47.5
80.05007	4.8
80.19816	1.2
81.05804	1.4
81.07059	30.1
82.06579	11.0
83.08626	2.8
83.46232	1.1
84.04507	12.8
84.08116	2.0
85.01130	89.2
85.04018	4.8
86.00654	25.9
86.09718	7.3
86.99042	6.6
87.02704	1.7
88.02227	6.7
91.05515	2.1
92.01700	1.3
93.07049	4.8
94.06559	8.2
95.04964	3.1
95.07334	3.3
95.08601	3.5
95.25187	1.1
96.08129	11.2
97.01126	4.4
97.06528	6.4
97.08916	7.7
98.09695	29.9
98.22674	1.6
98.97588	2.4
99.02679	1.9
99.89477	1.2
100.02202	2.5
101.84964	1.3
105.07010	5.6
107.07361	1.3
108.08128	4.8
109.08930	2.8
110.09688	15.7
111.02706	2.0
112.03947	13.1
113.04227	100.0
114.05506	1.6
116.01676	19.6
120.39114	1.3
122.09660	13.6
123.10449	3.5
127.05782	2.0
130.05000	43.0
131.04561	2.9
139.05763	7.3
143.02744	4.9
144.01146	2.8
146.11697	1.5
156.08437	75.8
156.10204	37.8
162.02237	7.5
163.03899	3.6
173.02391	1.6
177.03297	11.1
189.03320	7.5
205.53705	1.2
215.07024	3.3
238.83859	1.1
242.08455	24.1
259.11142	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.167
Annotation	O-1821
Peak:m/z	Relative Intensity
53.03948	0.3
57.07066	0.6
69.39844	0.3
71.00134	0.5
72.08161	1.5
88.12779	0.3
90.09188	1.1
91.09536	0.3
94.52184	0.3
112.61373	0.3
176.89342	0.3
258.27911	5.2
259.16702	100.0
259.28241	5.3
260.17059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65729	0.2
63.97170	0.2
69.03443	0.2
69.07061	0.7
69.48839	0.4
84.08150	0.3
86.09703	100.0
87.10023	1.0
92.74319	0.2
97.02900	0.2
146.11755	34.1
147.12105	0.3
172.27167	0.2
173.89915	0.2
199.18022	2.9
227.17509	0.5
259.10715	0.2
259.17368	0.4
259.20154	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	259.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16734	0.2
55.61101	0.2
56.51818	0.2
69.07072	0.7
72.39545	0.2
75.53766	0.2
77.23199	0.2
77.45931	0.2
84.08177	0.2
86.09709	100.0
87.10032	0.6
88.21874	0.2
97.06554	0.2
146.11766	34.9
147.12099	0.4
183.52693	0.2
199.18069	3.1
227.17607	0.3
259.20178	7.1
260.20337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05526	7.0
57.07090	13.7
58.52389	6.1
61.12173	5.1
69.07062	20.8
71.04985	15.9
81.07050	11.3
83.08661	6.0
85.06552	18.3
89.52244	5.4
91.05488	5.5
93.07032	8.0
95.08619	15.2
105.07035	17.3
107.08614	12.0
109.06506	9.0
111.01794	5.7
111.08091	8.6
117.06961	7.6
119.08577	44.2
121.10169	9.4
123.11710	20.3
129.01822	13.6
130.08676	10.1
131.08563	7.7
133.10115	26.0
135.08063	24.1
135.11691	8.3
145.10143	23.9
147.11665	12.1
147.48984	5.8
157.10141	13.3
159.11699	18.7
161.13251	18.2
171.11630	11.3
175.14839	81.5
176.15616	12.4
185.13242	12.4
189.16396	8.2
201.16394	18.4
203.14290	10.0
215.17896	6.7
236.41063	5.2
241.19525	22.9
259.20563	100.0
278.42740	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	260.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
56.05038	0.7
58.06589	0.5
58.99599	0.3
64.62892	0.2
67.05503	3.2
68.05016	0.5
69.03407	0.4
69.05804	1.0
69.07065	1.1
70.06590	11.5
70.76561	0.5
71.01369	0.2
72.08145	0.8
74.06072	0.7
76.58222	0.3
79.05494	1.4
80.05013	0.4
81.07053	1.8
82.06580	9.5
83.04986	1.1
83.07360	2.1
83.08612	0.3
84.04550	0.3
84.08141	29.2
85.06535	1.6
86.09711	1.7
91.05497	0.7
93.07037	0.9
94.06552	1.1
95.04972	0.8
95.08596	1.4
96.08118	0.5
97.06518	0.6
97.08892	0.6
98.06052	9.8
101.10766	0.4
101.41124	0.3
102.05479	0.6
103.03952	3.2
105.07035	0.8
107.08585	0.9
109.10168	0.5
110.06041	3.0
111.04417	1.1
112.07613	0.9
113.05969	0.4
114.09165	6.5
115.78808	0.2
119.08553	0.5
122.06014	1.0
123.08046	0.3
124.07571	0.3
126.05566	0.4
129.05557	0.3
129.10219	2.0
130.08681	0.4
133.10182	0.5
136.70004	0.2
138.09116	0.3
140.07068	1.9
141.05464	0.7
141.07867	1.8
142.08630	100.0
143.08966	0.8
144.10210	0.9
147.11308	1.3
154.08606	0.8
158.08144	1.2
160.31912	0.3
161.12854	1.0
165.12801	0.3
170.08128	0.6
172.09666	0.3
182.08113	0.5
184.70099	0.3
185.57330	0.3
186.10489	0.3
200.09172	16.8
206.18980	0.7
224.20073	8.9
228.08630	0.3
242.10220	0.3
242.21091	3.3
243.16994	1.4
260.11282	34.7
260.19559	3.5
260.22214	0.9
261.11554	0.3
282.79373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
54.16146	0.4
55.05526	1.0
56.05035	5.1
57.03431	2.9
58.06606	1.8
67.05525	1.8
69.07079	2.9
69.29984	0.3
69.30769	0.4
70.06600	2.2
71.05008	0.7
71.43951	0.4
72.08156	7.4
77.26161	0.4
79.05489	2.0
81.07038	2.0
83.05003	0.9
83.06107	19.3
84.04507	29.1
84.08144	100.0
85.02916	3.4
85.06565	0.9
85.08472	0.6
86.09708	48.0
87.09994	0.5
91.05465	0.8
93.07026	1.4
94.93019	1.2
95.04958	0.9
95.08602	2.0
96.08115	0.9
96.92837	0.4
97.02868	1.4
97.06519	1.2
98.09709	2.2
99.04486	0.5
101.07146	3.5
101.10785	3.1
102.09173	0.9
104.10752	0.6
105.07019	1.6
107.04934	0.9
107.08627	0.9
112.07590	0.7
114.09172	0.4
116.07057	0.5
118.29737	0.4
119.01887	0.8
119.08565	0.7
123.08012	1.2
128.10724	0.9
129.06578	1.5
129.09322	0.9
129.10242	15.0
130.05003	6.9
130.07784	0.6
130.08635	8.8
132.09323	0.6
132.10204	9.7
133.10141	2.0
141.06532	0.6
142.12230	0.6
143.05492	0.4
143.11792	3.8
144.10208	0.6
147.07651	7.5
147.11282	13.0
148.06015	1.1
151.11174	0.5
152.10605	0.4
157.13391	1.9
161.09413	0.9
168.06537	0.5
171.11266	1.9
179.10538	0.9
182.15416	1.8
185.12752	0.7
189.12296	0.5
196.14430	3.2
197.12877	10.4
197.16351	0.8
200.07487	0.5
200.91060	0.8
224.16202	1.0
225.12103	1.2
225.15796	0.4
226.14272	0.6
226.69066	0.4
229.02954	1.7
242.15097	22.4
242.17328	6.8
243.13121	12.3
243.16795	7.7
244.13464	0.4
248.23193	0.4
260.04672	2.0
260.18457	43.3
261.05817	12.3
261.09015	1.4
261.18591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1609
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05506	2.2
56.05036	7.3
58.06595	2.2
58.51139	0.6
67.05503	1.5
69.07050	1.2
70.06583	1.6
70.24874	1.9
72.08159	14.9
77.17825	0.8
81.07058	1.5
83.06110	39.6
84.04111	1.0
84.04507	55.7
84.08146	100.0
85.08453	0.9
86.09711	90.7
87.10049	0.9
93.07037	0.9
101.07151	4.8
101.10791	3.0
112.07545	0.7
117.04198	0.7
129.06618	3.8
129.10248	13.1
130.08632	5.6
132.10201	20.8
141.06609	1.5
143.11809	5.8
144.06578	7.8
144.10246	1.3
147.07677	1.1
147.11295	6.9
157.13371	21.7
161.09210	8.9
161.12813	1.0
171.11317	2.4
173.25829	0.7
182.15512	1.3
185.12875	10.7
189.12331	3.3
194.57323	0.7
196.14471	8.3
197.12869	21.1
225.12323	2.1
242.15018	53.1
242.17253	2.4
243.13405	28.8
243.17053	6.5
249.86801	0.7
260.07791	0.9
260.15979	2.3
260.19507	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	260.1859
Annotation	Hexanoylcarnitine
Peak:m/z	Relative Intensity
55.01862	3.4
55.05501	1.8
56.05032	9.6
57.03437	6.1
58.02968	0.7
58.06600	18.5
58.71380	0.9
63.96561	0.7
67.05493	6.1
69.07079	3.7
70.06587	2.1
70.12773	1.7
71.04996	8.4
71.07384	0.8
72.08154	6.4
76.44151	1.0
78.39178	1.1
79.05490	6.9
81.07053	28.8
82.06576	1.3
83.04973	1.7
84.04499	0.9
84.08142	74.2
85.06532	5.7
86.09705	16.4
87.04460	16.5
90.05572	0.8
91.05489	4.3
93.07043	7.0
95.04967	1.6
95.08601	5.5
96.08138	1.7
97.06512	4.7
98.09690	4.9
99.04441	3.5
99.08102	2.8
101.10754	1.6
105.07034	5.4
107.08601	4.1
109.06515	2.0
109.10147	1.2
110.09674	4.7
111.08060	2.7
113.05988	2.1
113.09657	1.1
115.03938	6.0
119.08588	4.8
123.08039	2.2
125.05978	1.9
125.09580	0.8
128.10725	3.6
129.07007	1.2
129.10233	7.6
130.08653	2.0
131.08549	2.2
133.10110	4.0
135.08041	1.9
137.09605	2.3
142.12270	2.1
143.07080	1.1
143.11798	13.3
144.10201	2.5
147.07631	1.2
147.11349	6.3
151.11145	3.0
153.97034	0.8
157.10129	2.2
159.65115	0.8
161.12985	1.6
165.12759	1.8
171.11282	3.6
175.11162	4.1
182.15378	1.7
193.12209	6.5
211.13309	4.2
224.16440	11.2
236.98718	0.8
242.17503	66.5
242.21283	2.5
243.17067	5.0
260.18597	100.0
260.22186	30.8
261.18964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97847	0.4
55.01854	0.6
55.05499	1.7
56.05018	1.1
57.03186	0.3
57.03431	7.0
58.06599	0.7
60.09761	0.4
61.29608	0.4
67.05505	3.1
69.07065	4.5
70.06587	0.6
70.76512	0.7
71.04979	1.0
72.08148	5.1
73.99641	0.4
79.05491	6.3
81.07048	5.5
83.04984	3.0
84.08121	1.4
85.02899	12.3
86.09727	0.5
87.49311	0.4
91.05470	3.5
93.07047	4.9
95.04964	2.2
95.08607	7.9
96.08128	0.5
97.06518	4.8
98.09690	7.1
98.97566	0.9
99.04437	0.8
99.08105	2.8
101.06023	0.6
101.07175	0.4
103.03934	1.4
105.07018	5.1
107.04931	2.2
107.08589	1.3
109.06552	0.5
109.10139	2.1
113.05989	0.5
113.09624	2.1
115.07542	0.6
117.07035	0.5
119.08566	5.2
121.06503	3.2
123.08060	3.9
123.11689	0.4
124.11226	0.6
129.05472	1.5
131.08643	0.4
133.10120	8.0
135.08072	0.9
137.09604	1.5
141.09076	0.4
142.12302	1.0
143.08562	1.0
151.11157	2.5
161.09616	5.1
163.32454	0.4
179.10683	3.5
197.11667	2.0
242.17462	5.6
260.18561	100.0
261.19012	1.9
275.10034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1858
Annotation	(plusmn)-Hexanoylcarnitine
Peak:m/z	Relative Intensity
55.01872	0.3
55.05504	1.0
56.05022	0.6
57.03435	7.0
58.06596	0.6
59.05009	0.4
60.62547	0.3
67.05494	1.9
67.52583	0.3
69.07068	2.0
70.02878	0.8
70.06597	0.5
72.08154	3.5
74.11133	0.3
77.17019	0.3
79.05487	4.7
81.07061	3.1
83.04983	1.4
84.08134	1.9
85.02903	7.4
85.08910	0.5
86.09685	0.6
91.05479	1.8
93.07056	2.2
95.04958	1.4
95.08606	5.8
96.08127	0.4
97.06528	2.2
98.09691	6.3
98.97570	0.8
99.08071	1.1
101.02370	0.4
101.06020	0.4
103.03938	0.6
105.07034	2.2
107.04935	1.7
107.08578	0.6
109.06527	0.4
109.10145	1.1
113.06009	0.4
113.09647	1.8
115.07589	0.4
116.98644	0.5
119.08557	2.4
121.06492	1.2
123.08061	3.9
124.11169	0.4
125.05964	0.4
129.05504	0.6
133.10138	3.5
137.09637	0.7
142.12280	1.0
151.11171	1.2
161.07906	0.3
161.09554	1.6
179.10689	1.2
197.11736	1.3
228.68378	0.3
236.98650	0.4
240.87080	0.3
242.17529	7.0
260.18570	100.0
261.18936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1972
Annotation	Lys Leu
Peak:m/z	Relative Intensity
50.86580	0.2
55.05512	0.7
56.05033	2.5
56.96571	0.6
60.45496	0.3
63.80966	0.2
67.05505	1.1
69.97858	0.8
70.06584	0.4
72.08156	3.0
81.71774	0.2
82.85031	0.2
84.04498	1.3
84.08144	100.0
85.06544	0.6
85.08479	1.1
86.09709	6.9
98.22775	0.3
98.97600	2.5
99.97910	0.3
101.00874	0.5
101.10777	2.5
102.09119	0.3
104.98646	0.3
108.87923	0.2
112.07590	0.6
116.98634	0.7
122.20912	0.2
129.10248	12.8
130.05002	2.5
130.08643	2.6
143.11818	0.9
144.10207	1.1
147.07652	4.4
147.11282	6.7
148.06047	0.3
154.84892	0.3
161.12839	1.3
171.11270	0.4
177.00726	0.4
180.13754	0.4
197.16414	0.7
204.21353	0.3
218.02115	0.5
219.01770	0.4
226.14325	0.4
229.03210	0.6
233.04544	0.2
242.18629	1.0
243.02029	0.3
243.13358	0.6
243.14449	0.4
243.17038	8.0
259.99954	0.8
260.19702	21.7
261.03082	1.6
261.05811	2.4
261.09467	0.9
261.19934	0.8
278.00974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05517	2.4
56.05039	2.9
56.96546	0.6
57.03181	0.5
57.03441	7.4
57.07080	1.8
57.84613	0.4
58.06609	2.8
59.53427	0.3
67.05506	6.1
69.07071	3.7
70.02091	0.8
70.02419	0.5
70.06588	1.9
70.81686	0.4
71.04992	4.8
72.07781	0.7
72.08156	7.5
79.05500	5.3
81.06631	0.7
81.07066	9.8
83.04955	0.9
83.08627	0.6
84.04503	0.8
84.08147	47.8
85.06545	10.0
85.08472	0.6
85.08950	0.6
86.09709	7.7
87.04467	1.5
87.88956	0.3
91.05473	2.0
93.07050	3.6
95.04926	0.4
95.08613	4.8
97.06528	2.7
98.09698	10.1
98.97570	0.8
99.04500	0.5
99.08077	2.0
101.10802	1.0
105.07021	2.3
107.08614	2.7
109.06564	0.4
109.10176	1.0
110.09618	0.4
111.08088	0.9
113.06020	0.6
113.09647	2.0
115.03907	0.5
115.07595	0.5
119.08586	1.3
121.10146	1.5
124.11160	0.6
128.10718	0.7
129.10242	4.7
130.05006	0.8
130.08630	1.6
132.10228	0.4
133.10144	1.9
137.09596	0.8
142.12277	3.9
143.11807	2.9
144.10149	1.0
147.07648	1.1
147.11284	2.9
149.13155	0.4
151.11203	0.4
154.18088	0.3
158.15405	0.6
161.12950	1.2
171.11301	1.1
193.12201	0.7
224.16420	1.3
224.20108	0.8
242.17493	7.5
242.21167	8.3
243.17061	3.0
260.11420	1.0
260.18954	13.3
260.22198	100.0
261.22620	2.5
261.24966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49557	0.6
56.96561	1.5
59.67734	0.6
67.10723	0.6
70.06586	0.9
70.67781	0.7
72.53605	0.6
81.03420	1.2
84.04488	3.5
84.08139	12.2
84.08616	0.5
85.02895	0.9
85.08466	1.3
86.09706	43.1
98.97591	9.8
98.98462	1.6
100.97212	1.0
101.00883	2.0
102.05553	1.4
102.96889	0.8
109.02840	0.7
116.98621	5.4
119.01885	4.0
129.10249	2.3
130.05020	1.9
134.99690	1.8
147.11284	1.4
148.06038	8.8
158.99814	1.5
169.01106	2.1
171.02711	1.1
177.00946	7.7
178.01038	0.6
201.00894	1.5
201.02457	0.7
215.02277	0.8
217.04063	1.3
219.01915	9.7
220.02007	0.7
225.01025	1.1
229.03178	6.2
243.02026	6.8
243.04791	2.8
260.18961	1.2
260.99823	4.2
261.03070	48.0
261.05829	100.0
261.14526	6.0
261.18820	2.9
262.03235	2.6
262.06039	1.0
262.15085	0.9
279.00598	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	261.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.4
56.96561	4.0
69.07071	3.9
70.06586	1.4
72.08157	1.5
84.04504	3.5
84.08142	23.8
85.08482	2.9
86.09711	50.4
98.97587	21.1
101.00880	3.4
101.10754	1.0
102.05553	1.2
102.96883	1.0
115.03709	0.9
115.36723	0.7
116.98620	9.1
118.98270	0.9
119.01902	5.7
129.10258	4.0
130.05019	2.8
130.08644	1.3
134.99669	2.2
147.11237	1.8
148.06073	8.0
158.99896	2.4
162.41748	0.8
169.01056	1.7
177.00963	8.6
183.00047	0.8
199.54442	0.8
201.00937	2.1
217.04095	1.9
219.02013	18.9
219.04074	1.3
220.02312	0.8
225.00966	2.6
229.03203	20.1
243.02032	12.2
243.04768	5.7
243.16980	1.6
260.19800	2.1
260.99796	8.0
261.03070	90.9
261.05835	100.0
261.09229	7.9
261.14218	5.1
261.19901	2.8
262.03171	5.5
262.05878	1.5
278.97241	1.4
279.00592	8.2
284.04749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01875	0.4
55.05508	11.3
55.05779	0.7
57.03432	1.1
57.07069	2.8
59.05013	0.5
60.97790	0.3
65.03945	1.4
67.05502	29.1
69.03432	0.4
69.07065	8.2
70.43189	0.3
71.04984	1.9
71.08626	1.1
77.03907	1.8
79.05489	45.5
80.05813	0.3
81.07053	34.3
83.04984	1.1
83.08621	5.6
83.63107	0.4
84.16003	0.4
85.06552	2.9
85.10188	0.4
91.05475	21.2
93.07040	59.8
94.07375	0.6
95.04967	4.3
95.08600	28.6
97.06537	2.3
97.10156	2.1
98.23493	0.8
99.08087	2.6
105.04494	1.8
105.07022	13.5
105.07735	0.8
107.08589	38.9
109.06512	1.4
109.10155	11.3
111.08079	2.0
111.11742	0.5
113.09614	1.1
117.07019	6.3
119.06062	0.6
119.08580	10.4
121.10141	32.4
122.10495	0.5
123.08089	0.8
123.11701	4.1
125.09612	0.7
129.06967	0.5
130.07773	0.7
131.07643	0.8
131.08563	9.5
133.10127	10.5
135.11687	28.6
137.09615	1.1
137.13239	1.4
139.11230	0.8
145.10114	10.9
145.11220	0.7
147.11684	8.1
149.09676	0.4
149.13246	19.2
151.11176	0.9
151.14841	0.5
153.12732	0.8
159.11684	7.9
161.13243	9.0
163.14810	13.1
163.16170	0.8
165.12819	0.9
167.14340	0.6
173.13254	8.8
175.14821	3.6
177.12706	0.5
177.16380	3.2
179.14340	1.0
187.14807	4.8
189.16286	0.9
191.14313	0.5
201.16362	2.9
205.15849	1.0
215.17946	1.8
219.17421	0.9
226.75262	0.4
233.22630	0.9
243.21069	22.6
244.21460	0.8
261.22119	100.0
262.22510	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	0.4
53.03953	0.9
55.01864	0.5
55.05511	10.3
55.05779	0.5
57.03437	1.0
57.07077	3.1
58.16401	0.3
65.03928	1.5
67.05504	29.5
68.05846	0.3
69.03416	0.3
69.07065	9.8
69.07443	0.5
69.28940	1.6
70.05258	0.3
71.04984	1.5
71.08627	0.8
77.03941	1.5
79.05494	43.4
81.07056	35.8
82.07380	0.4
83.04983	0.9
83.08612	4.7
85.06551	2.7
85.10197	0.4
91.05480	20.8
93.07043	56.0
94.07394	0.7
95.04964	4.5
95.08606	26.5
97.06521	2.1
97.10162	2.1
99.08072	2.5
104.06249	0.3
105.04560	1.5
105.07027	13.8
107.04945	0.3
107.08592	37.0
108.08949	0.7
109.06505	1.9
109.10162	11.0
111.08089	1.9
111.11713	0.3
113.09644	1.2
117.07024	5.1
119.06079	0.5
119.08585	11.3
121.06496	0.8
121.10142	31.3
122.10490	0.4
123.08094	1.2
123.11709	2.7
125.09620	0.7
129.06972	0.5
131.08566	10.9
133.10130	9.4
133.11142	0.4
135.08127	0.5
135.11693	26.6
137.09634	1.4
137.13248	0.9
139.11163	0.4
139.59123	0.3
143.08492	0.4
145.08961	0.5
145.10118	10.4
147.11687	9.5
147.12865	0.5
149.09648	0.6
149.13252	20.4
150.13631	0.5
151.11191	1.0
151.14841	0.7
153.12704	0.8
159.11688	8.2
161.09665	0.5
161.13255	9.0
163.11226	0.5
163.14812	11.1
165.12746	0.9
171.11713	0.3
173.13255	7.2
175.14819	3.6
177.12758	0.9
177.16380	3.1
179.14349	1.2
185.13246	0.4
187.14828	4.6
189.16417	0.9
191.14294	0.6
193.15939	0.4
201.16322	1.9
203.17943	0.4
205.15909	0.8
213.95123	0.3
215.17978	1.1
217.19453	0.4
219.17424	0.9
233.22649	1.1
243.21085	19.9
244.21451	0.7
261.22128	100.0
262.22443	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02370	0.7
53.03952	1.0
55.05295	0.8
55.05518	9.6
57.03419	1.6
57.07074	2.4
65.03955	0.9
67.05505	31.2
69.07072	9.6
71.04979	1.1
71.08619	1.3
77.03932	1.4
79.05497	44.2
81.07060	37.6
83.04974	0.9
83.08625	4.0
85.06537	2.8
86.47140	0.7
91.05482	21.3
93.07047	65.2
95.04968	4.6
95.08611	26.0
97.06508	2.1
97.10178	2.4
97.46238	0.6
98.23615	1.5
99.08088	2.4
105.04507	1.7
105.07023	12.3
106.40275	0.8
107.08596	39.6
109.06529	1.3
109.10163	9.4
111.08064	2.6
113.09609	0.8
116.23609	0.7
117.07060	4.6
119.06075	0.8
119.08584	12.8
121.10148	34.0
123.08054	1.1
123.11692	3.1
125.09618	0.8
131.03246	0.7
131.08562	12.6
133.10129	8.3
135.08159	1.0
135.11693	29.8
136.12024	0.7
137.09612	1.5
137.13252	1.0
138.23561	0.7
145.10127	10.4
147.11676	7.8
149.09570	0.9
149.13251	20.0
159.11697	8.0
161.13272	9.6
163.14819	13.4
165.12738	1.0
173.13290	7.8
175.14865	2.1
177.16362	2.7
179.14415	0.8
187.14841	5.2
189.16426	0.8
196.89777	0.7
198.56125	0.7
201.16354	2.4
203.16090	0.7
205.15854	1.0
215.17941	1.8
217.19456	0.9
233.22746	1.4
242.53319	0.9
243.18596	1.2
243.21103	23.6
261.22134	100.0
262.22427	1.6
264.42758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02371	0.5
53.03944	1.3
55.01866	0.6
55.05510	10.8
57.03434	1.3
57.07083	2.7
65.03928	1.6
67.05505	33.1
68.05811	0.4
69.07069	9.7
69.75337	1.2
71.05016	1.8
71.08631	0.8
77.03923	1.9
79.05495	45.9
81.07056	35.3
82.99622	0.4
83.04987	0.7
83.08624	5.1
85.06538	3.0
91.05480	21.1
93.07046	59.8
94.07356	0.7
95.04971	3.6
95.08608	27.6
97.06525	2.5
97.10176	1.8
99.08101	2.4
104.58966	0.3
105.03817	0.3
105.04510	1.8
105.07031	15.7
107.08595	39.0
109.06525	1.7
109.10161	9.8
110.70208	0.3
111.08089	2.1
111.11717	0.7
113.09650	0.7
117.07006	5.2
119.06092	0.7
119.08577	11.7
121.10143	33.8
122.10532	0.5
123.08074	0.6
123.11693	3.5
125.09660	0.8
129.07030	0.4
130.07826	0.4
131.08566	10.7
133.07663	0.4
133.10124	10.3
135.08063	0.5
135.11691	29.2
137.09628	0.8
137.13248	1.2
139.11217	0.3
145.10130	10.8
145.53096	0.4
147.11684	9.5
149.09665	0.7
149.13255	21.9
151.11197	0.4
151.14890	0.4
153.12726	0.8
159.11693	8.2
159.12943	0.7
161.11896	0.4
161.13260	8.5
163.14815	12.9
164.15060	0.4
165.12747	0.9
171.11763	0.4
173.13266	7.8
175.14835	3.5
177.16389	3.1
179.14288	1.3
187.14822	5.4
189.16409	0.7
191.14302	0.4
201.16350	2.5
203.17915	0.5
215.17986	0.9
217.19557	0.6
219.17416	0.7
233.22581	1.1
243.21095	22.3
244.21449	1.0
261.22131	100.0
262.22433	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	262.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26648	0.7
51.22895	0.7
55.05497	1.7
56.05021	1.8
57.03437	2.7
58.01005	0.7
58.06599	23.1
64.57431	0.7
67.05486	3.2
68.24001	0.8
69.07056	1.9
69.41024	1.6
69.41425	2.6
70.06593	5.3
71.04967	1.3
71.07376	1.1
72.08158	3.0
78.62210	0.7
79.05487	3.2
81.07053	5.6
83.08597	0.9
84.08146	6.2
84.47331	0.8
91.05491	1.0
93.07050	4.6
95.08619	6.0
98.09680	0.8
98.22687	1.4
103.05458	1.1
104.99268	38.3
107.04974	0.8
107.08578	2.1
109.10143	1.5
110.09674	0.8
116.07095	9.9
120.08108	11.3
121.10154	1.0
135.11673	2.8
137.61206	0.8
182.19048	15.5
184.16956	27.9
186.87958	0.8
198.98877	1.1
208.16949	4.2
219.01714	0.8
226.17973	6.2
244.19077	36.8
245.19398	1.5
262.20123	100.0
262.98111	1.8
263.13882	2.1
263.20535	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45499	6.0
69.65715	8.4
69.66050	28.2
84.08141	11.1
88.44922	7.5
104.99272	11.0
117.83037	6.9
119.01953	13.3
161.02907	11.3
180.89403	10.2
221.01959	9.5
245.01813	10.5
262.15100	9.6
263.02853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13487	8.1
51.23672	8.3
70.49175	15.7
90.07635	10.2
101.00912	14.9
105.37434	9.0
110.51350	8.7
127.44233	9.2
143.01918	22.3
157.12923	10.1
161.02980	21.4
173.02982	11.1
191.04018	9.1
203.04018	12.8
263.01694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61426	4.5
58.93777	4.5
70.06580	16.6
70.18558	12.9
71.02181	4.8
76.96938	4.6
88.61127	4.7
92.79857	4.7
96.77122	5.0
98.22802	5.3
101.00887	33.0
113.00877	9.6
116.07112	6.0
119.01893	28.2
131.01924	13.8
143.01897	63.9
155.01859	18.7
161.02969	100.0
173.02948	30.5
185.02956	9.6
191.04001	21.8
203.03966	29.1
221.04990	7.5
231.10855	5.7
262.15152	10.5
262.20139	8.9
263.01700	64.8
263.06033	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	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97846	12.3
60.57658	13.5
70.49004	23.2
80.64583	12.8
82.91970	13.3
119.01903	13.9
161.02979	24.8
173.03046	16.7
263.01648	100.0
279.96201	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	263.1392
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.87456	0.3
55.90704	0.3
56.05031	0.6
61.05162	0.3
61.34260	0.3
70.06591	35.6
71.44291	0.3
81.07043	0.3
86.09708	4.7
91.05491	1.1
93.07058	2.1
103.05471	6.9
104.05343	0.8
104.99277	1.1
114.05511	0.5
116.07089	81.1
117.07455	0.8
118.06535	0.4
120.08101	100.0
121.08469	1.5
136.07571	0.6
143.01892	0.3
150.05844	0.4
175.08612	0.4
263.13910	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1426
Annotation	Leu Met
Peak:m/z	Relative Intensity
56.05026	1.8
57.05827	0.4
58.06601	0.5
61.01150	1.0
69.07068	11.6
70.06232	0.4
70.06595	5.3
70.06982	0.3
70.83746	0.3
71.05006	0.4
72.08163	0.3
84.04519	0.4
86.09705	100.0
87.10039	0.6
87.26707	0.2
99.99448	0.2
101.00887	0.2
102.05552	0.4
104.05336	2.8
104.99273	4.7
120.08142	0.3
130.05003	0.5
133.03188	1.9
133.51846	0.3
134.09698	0.3
138.71402	0.3
143.01883	0.6
150.05843	8.9
161.02948	1.2
169.13380	0.7
203.04031	0.5
215.13965	0.5
217.13663	0.5
263.06229	0.4
263.14230	5.7
263.17053	0.4
263.20419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13903	0.5
56.96569	100.0
59.41397	0.6
67.98163	1.2
70.06574	0.6
70.64716	0.7
70.65057	0.8
71.95300	0.7
72.96049	1.3
73.78992	0.5
74.97604	0.6
78.01954	0.6
83.97642	2.0
98.97590	19.2
116.98639	6.4
120.08188	0.6
122.07160	0.9
134.99681	1.0
135.71371	0.5
139.54234	0.6
144.96864	1.7
149.02740	1.8
163.00667	1.2
165.02275	3.5
167.03893	1.1
176.03848	21.7
177.02272	0.6
178.05409	38.3
181.01775	1.2
183.03325	7.3
186.02322	1.7
190.01799	1.3
192.03354	2.4
194.04919	4.4
196.06468	13.5
201.04323	2.7
204.03354	13.8
208.02870	4.4
210.04430	1.3
219.03352	1.2
222.04390	85.1
223.04727	1.3
226.03979	1.1
240.05444	53.6
241.05791	1.3
245.05962	0.7
246.17009	0.7
263.07175	0.9
264.05447	29.2
264.18149	3.3
282.06598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	SAHA
Peak:m/z	Relative Intensity
54.16285	0.3
63.02378	0.5
70.06586	0.6
70.29464	0.8
72.08153	18.8
81.04545	0.7
84.08119	0.4
86.09710	3.2
89.03907	3.8
89.10792	11.8
89.56319	0.3
91.05504	0.3
98.06058	0.7
105.07034	0.8
106.58192	0.3
112.52675	0.3
115.08705	2.3
117.03376	18.5
118.03709	0.5
120.08097	0.8
122.07149	4.6
134.03619	1.2
135.04442	0.8
144.04796	1.0
145.02840	59.8
146.03169	1.1
149.05969	7.5
152.05460	0.6
163.03922	0.5
177.05463	100.0
178.05829	1.8
248.12787	5.3
248.65125	0.4
265.15472	20.2
266.15887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03942	0.4
55.05511	10.9
56.05032	0.4
57.05812	0.9
69.77937	0.7
72.08157	100.0
73.08504	0.9
75.27180	0.2
103.05468	0.4
120.08106	12.2
121.08467	0.3
122.07150	0.3
131.05023	0.3
145.02882	0.4
149.05997	0.2
166.08640	11.2
177.05493	0.9
189.90845	0.2
219.14879	0.5
265.15472	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	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05037	0.2
56.25047	0.2
56.96569	0.4
62.24946	0.1
69.62616	0.6
70.06596	1.2
72.08163	1.0
82.99869	0.5
84.04472	0.2
84.08141	1.4
86.06055	0.7
86.09695	0.7
96.08124	0.2
98.22757	0.4
98.97614	0.2
100.03986	0.4
101.00882	4.6
103.00639	0.2
104.07091	0.4
104.10709	0.4
116.98862	0.2
119.01922	8.8
120.01962	0.2
121.01697	0.3
122.06293	0.2
122.07149	1.2
123.07491	0.7
129.10225	0.7
134.99838	0.5
137.02946	1.5
139.13899	0.2
140.98851	0.7
144.04788	0.2
145.01659	0.4
146.02003	0.2
150.05528	0.3
158.99883	3.3
161.04466	0.5
163.02693	0.4
164.03061	0.6
175.02980	0.6
177.00952	20.2
178.01045	0.9
182.99898	0.7
193.03923	0.3
194.04239	0.2
195.02049	0.2
199.02965	0.3
201.00945	3.1
208.13358	0.2
217.04103	3.4
219.02008	24.7
220.02147	1.5
225.00832	2.7
234.00439	0.2
243.02002	12.7
244.02223	0.6
261.03061	100.0
262.03198	6.0
263.03503	0.5
266.03598	0.3
266.06406	0.5
266.12338	0.2
266.16248	0.2
267.12173	0.2
272.07336	0.2
284.04654	1.2
284.07248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05033	19.3
57.03437	3.5
58.06593	3.8
65.74925	0.4
70.33331	1.3
74.06076	100.0
84.04506	3.4
85.02912	2.1
87.08101	2.9
91.05459	2.3
95.08625	0.5
96.15843	0.5
101.07141	1.5
103.05461	1.7
107.04927	0.8
120.08096	55.0
122.07155	0.5
131.04916	1.4
134.06812	0.4
136.06210	1.7
145.04906	0.6
146.05980	0.9
149.05966	1.5
158.09648	1.1
166.08630	40.6
168.16818	0.5
174.03293	0.5
176.10672	0.9
177.10312	0.6
182.72058	0.4
203.11847	1.3
203.81564	0.4
221.12843	6.9
249.12341	5.2
251.00040	0.5
267.13385	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	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03962	0.9
55.01878	1.7
55.05510	9.4
57.03438	4.4
57.07072	1.2
60.34975	0.5
60.87923	0.5
65.03944	1.3
67.05504	28.8
69.03447	0.7
69.07073	11.7
69.07443	1.0
69.42102	0.9
69.42501	2.2
71.05000	2.4
72.50733	0.5
72.51115	0.6
79.05494	18.0
81.03445	0.7
81.07058	75.5
81.55291	0.5
81.65694	0.5
82.07384	1.2
83.04982	6.2
83.08618	5.8
85.06553	3.8
91.05484	20.4
93.07050	9.8
95.04954	2.5
95.08607	21.0
95.09218	1.1
97.06528	5.4
98.55947	0.5
99.08086	3.0
101.06042	1.5
104.99318	0.7
105.04577	0.6
105.07030	25.9
107.04953	0.6
107.08581	8.0
109.06528	3.9
109.10148	1.9
111.08099	1.1
117.07000	0.5
119.08578	21.0
119.09428	1.2
121.10146	13.5
123.08093	3.6
123.11706	21.0
127.07576	1.7
129.06989	1.5
131.08543	0.9
133.06522	0.8
133.10149	3.1
137.13234	1.5
141.09119	1.2
147.11687	43.6
157.10135	2.2
165.12756	17.8
175.11205	1.5
180.84570	0.5
181.46242	0.5
183.13756	1.4
193.12303	1.5
229.14330	0.9
243.51009	0.6
267.15909	100.0
268.16214	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	267.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.5
56.10699	1.7
69.03434	10.0
69.07070	2.0
69.70930	4.3
70.06578	7.3
71.09682	1.5
79.05483	1.9
82.09666	1.8
83.04962	2.4
83.08617	14.8
86.06075	1.8
98.06044	6.9
98.09697	7.1
98.98443	5.0
100.11254	100.0
104.99259	8.4
117.13890	9.4
118.99057	1.8
122.07159	5.9
126.09165	6.9
126.25961	1.9
136.06174	5.3
143.11769	4.8
168.13809	22.3
182.15392	13.8
185.16498	46.4
199.18039	17.8
225.16072	4.1
249.19583	1.9
267.11957	2.6
267.20670	68.2
268.21011	1.9
285.13168	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.48880	0.1
53.25370	0.1
55.01871	0.3
57.03434	0.7
60.04522	0.2
69.03413	0.2
70.02958	0.2
73.02915	0.2
83.78065	0.1
84.03936	0.1
85.02917	0.4
90.85105	0.1
94.04057	0.3
94.93005	0.4
97.02939	0.2
98.65003	0.1
103.87360	0.1
104.10743	0.1
110.07158	0.5
112.89617	0.2
119.03544	0.8
120.40548	0.1
133.04962	0.3
136.06183	100.0
137.04573	0.3
137.06624	1.0
138.05467	0.2
146.44072	0.1
148.94005	0.2
150.79741	0.1
156.07773	0.2
166.95135	0.2
176.93520	0.1
268.10373	7.6
268.94473	0.2
269.10898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03426	0.6
71.01351	0.3
73.02923	0.3
75.42204	0.2
85.02903	0.2
86.45559	0.2
93.44896	0.2
115.03862	0.2
119.03539	0.8
136.06184	100.0
137.04605	0.4
137.06607	1.0
145.80307	0.2
180.77599	0.2
268.10419	7.0
269.10788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1545
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
55.01871	0.7
55.05510	0.7
56.30922	0.5
57.03436	3.0
58.19694	0.5
63.21205	0.5
67.05499	0.9
68.99789	5.9
69.03410	0.7
69.07057	1.2
70.60473	1.0
70.63894	0.5
71.01328	0.4
72.08162	3.8
73.02892	0.6
79.05486	1.9
83.05028	0.6
86.09669	0.6
91.05489	1.0
93.07045	5.3
95.04974	1.2
95.08588	2.1
96.37184	0.6
97.06524	6.6
98.09701	5.7
99.08083	0.6
101.24017	0.5
104.99264	1.5
107.04976	1.0
107.08562	0.5
110.07174	1.0
111.00799	15.8
111.08095	2.7
113.02361	0.7
113.09640	0.6
118.94930	0.5
121.06503	2.7
123.04398	1.7
124.11239	0.8
125.06007	3.3
127.03913	4.8
135.08043	1.7
136.06194	7.8
139.03903	1.4
139.07518	3.3
140.14334	0.6
141.05376	0.5
142.12267	8.0
151.03886	0.9
155.03394	0.6
163.07529	2.1
165.05487	1.9
167.07082	2.8
177.09061	0.7
181.08612	3.9
184.13287	0.7
187.20741	0.5
205.08578	0.7
208.13356	1.7
223.09618	4.4
226.14369	16.3
250.14391	2.3
268.15430	100.0
269.15634	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	269.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18547	5.4
55.05515	21.4
56.96568	16.0
57.03437	22.4
61.99372	4.6
67.05505	69.9
69.07075	27.7
74.76674	4.9
77.16904	5.1
79.05498	44.6
81.07063	100.0
83.05000	15.1
83.08620	20.1
85.06557	16.7
91.05489	23.0
93.07050	55.6
95.05003	9.6
95.08601	33.2
97.06533	13.3
97.11226	4.8
98.23505	14.7
99.08101	5.5
104.99352	5.8
105.07059	15.2
107.08575	31.7
109.06541	11.1
109.10184	10.3
110.07178	11.8
111.08107	13.0
117.07025	19.7
119.08586	8.5
121.10149	18.0
123.11712	11.7
127.07541	6.3
131.08586	16.7
133.10141	16.8
135.11714	14.8
136.06160	6.0
145.10124	5.8
149.13217	27.5
159.11726	31.8
177.12773	18.3
187.11232	6.0
195.13776	14.2
199.06479	6.6
199.82628	6.3
201.43069	5.2
209.11638	6.2
226.11063	7.4
251.09555	11.4
259.08624	6.6
269.10785	94.9
269.13626	95.6
269.17484	55.4
287.11682	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.38119	7.5
69.07066	9.8
69.24480	18.7
69.24886	25.5
71.04989	10.5
77.18267	7.4
77.23556	8.1
79.05504	23.6
81.07070	23.2
83.05006	8.7
93.07037	20.0
95.04984	10.1
95.08593	15.7
97.06540	22.7
104.99274	100.0
105.07034	21.8
107.04937	8.7
107.08582	16.1
109.06517	12.2
110.94902	8.1
119.08615	13.7
121.06473	20.2
125.06041	11.9
135.11652	12.6
145.10135	34.8
159.11731	18.8
163.11180	36.7
169.10028	8.7
173.09644	20.2
181.12274	21.2
186.99536	18.0
187.11226	23.2
191.10678	14.5
205.12239	8.3
215.10686	32.9
216.21457	8.7
233.11841	22.0
251.12939	9.9
269.13602	82.7
287.72037	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	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.77003	3.4
55.01879	6.1
55.05527	11.1
57.03432	7.4
67.05506	23.7
69.03440	4.7
69.07078	9.5
71.04977	5.0
72.07716	3.3
75.64923	3.6
79.05507	22.4
81.07062	27.7
83.04995	8.9
85.06553	7.8
86.76521	3.2
91.05488	26.5
93.07035	27.4
95.04976	13.6
95.08600	9.2
97.06534	13.0
99.04456	3.6
103.05463	4.1
105.07038	25.0
107.04974	25.8
107.08618	17.5
109.06520	14.4
109.10178	12.2
110.07172	11.9
115.05500	4.4
117.07015	11.6
119.04974	5.5
119.08577	7.7
121.06504	16.8
121.10196	6.8
125.06061	17.6
131.08588	9.4
133.10168	3.6
135.08128	6.0
135.11710	6.0
137.05971	11.0
139.07536	5.4
143.07048	7.6
145.10130	32.8
147.11736	6.6
149.05966	7.6
151.07599	5.2
159.11728	15.0
163.07530	7.3
163.11194	100.0
173.09608	22.0
177.05533	5.5
177.12816	3.9
187.11166	20.2
191.07060	16.4
191.10692	20.2
191.42976	4.2
205.12302	10.6
209.08142	3.9
209.11850	4.8
215.10643	9.9
219.06593	9.3
233.11749	15.3
237.07594	9.9
251.09274	29.1
251.11795	4.7
251.12602	3.6
255.08572	19.9
269.10211	6.1
269.13467	8.7
269.17419	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.3
57.03439	11.5
67.05511	32.6
69.07069	12.4
69.99215	10.1
69.99580	9.4
71.05000	9.6
77.03895	6.7
79.05489	36.1
81.07047	54.5
82.41940	5.4
83.04978	23.2
83.08641	6.9
85.06527	9.5
91.05487	33.2
93.07052	50.6
95.04975	18.3
95.08618	27.8
97.02908	9.0
97.06514	27.1
99.04527	8.9
99.21844	5.5
105.07027	44.7
107.04990	10.8
107.08582	27.5
109.06532	20.8
109.10140	12.0
110.07180	20.7
111.08152	6.8
117.07027	22.1
119.08574	18.5
121.06503	30.7
121.10175	8.7
123.08028	5.2
125.05941	26.2
129.07062	7.7
131.08586	20.2
133.02484	5.5
133.06490	7.1
133.10178	5.7
135.08096	10.7
135.11708	16.4
137.06006	17.6
139.07558	10.1
143.07045	8.1
145.06529	11.7
145.10127	63.3
146.88231	4.6
147.11702	15.7
149.13271	11.9
150.66223	5.1
151.07602	7.0
155.08542	6.4
159.11685	41.7
161.13258	9.4
163.11140	68.8
169.10223	9.3
173.09653	36.9
177.12834	8.9
179.08543	8.8
181.12259	22.5
187.11151	37.5
191.10701	21.9
197.09721	14.1
203.33862	6.4
205.12225	25.0
215.10704	52.5
222.31802	5.2
227.12793	6.2
233.11729	35.7
240.83607	5.1
251.12798	17.5
269.13586	100.0
269.16623	8.9
269.17502	8.4
270.20605	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
55.05502	9.6
55.42524	3.7
57.03435	4.6
67.05506	22.1
69.07060	12.9
70.06568	4.4
71.05003	5.2
77.42775	3.9
79.05488	20.1
81.07060	30.8
83.04980	12.1
85.06522	8.8
86.09710	4.2
90.14979	3.4
91.05478	19.3
93.07044	24.7
95.04971	12.6
95.08614	12.8
97.02876	3.9
97.06530	12.3
98.32776	3.5
104.46365	3.5
105.07016	25.2
107.04979	10.8
107.08598	25.5
107.09222	4.5
109.06501	10.6
109.10168	6.5
110.07157	6.7
112.85111	3.6
117.06990	11.4
119.08566	7.2
121.06483	17.8
121.10158	7.0
125.05989	12.1
131.08572	8.6
132.12569	3.6
133.06494	7.1
135.11719	10.8
137.05936	8.2
145.06491	4.8
145.10138	31.9
147.11653	5.0
149.13240	7.1
151.07591	3.8
152.72359	4.4
155.07086	6.2
159.11693	15.1
163.07523	6.3
163.11172	100.0
164.11548	4.2
173.09627	22.8
173.11728	4.1
187.11182	15.0
187.12741	3.5
191.06972	23.2
191.10678	22.2
205.12187	9.3
209.11674	7.1
215.10648	13.0
219.06548	13.6
233.11725	15.1
237.07562	6.7
251.09186	23.3
251.12888	4.3
255.08617	19.2
264.80151	4.0
269.10345	4.9
269.13541	10.0
269.17422	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	269.1611
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
55.01854	0.2
55.05513	0.2
56.05038	1.1
56.96561	1.1
60.04525	5.5
69.03448	0.3
69.07072	0.3
69.41349	0.7
69.41690	0.4
70.06602	1.8
71.01402	0.2
72.08149	1.0
73.06563	0.3
81.04543	0.9
82.05337	0.3
83.06108	8.7
84.04487	0.3
84.08145	2.0
85.02906	1.5
86.09701	3.0
87.05585	0.3
89.06044	0.3
91.05476	0.7
93.04535	6.3
95.06097	1.5
97.02885	0.4
98.97589	1.7
101.00897	0.5
110.07167	100.0
111.07502	0.6
114.09178	0.4
116.98653	0.9
119.01953	1.3
119.04899	1.1
120.02074	0.3
121.01670	0.7
121.04008	0.4
123.04404	1.2
127.03945	0.4
127.08654	0.3
133.03484	0.4
133.04984	0.3
134.99681	0.3
136.06201	4.7
136.07582	6.0
137.02965	0.3
137.04610	6.0
137.06636	3.7
137.07698	0.3
137.07881	0.2
138.05511	5.6
138.06630	3.1
141.71211	0.2
145.05000	0.5
147.04420	0.5
156.07687	10.0
156.97612	0.3
160.07555	0.3
161.04468	0.2
165.05482	2.6
166.06149	0.8
170.09271	0.2
177.00940	0.3
178.13406	2.4
179.00775	0.7
180.00854	1.6
182.06514	0.3
182.08128	5.6
187.00858	0.4
203.02422	0.3
204.00822	0.3
206.12929	0.3
219.14630	0.2
220.03973	0.4
221.01767	0.6
222.01888	2.3
223.01752	0.4
223.10864	1.2
223.15538	5.8
226.97981	0.5
232.96544	0.3
234.12372	0.2
246.01906	1.5
247.01546	0.9
251.10199	0.6
251.15051	7.3
257.09665	0.2
263.02847	1.2
264.03024	10.8
265.02637	1.4
269.11179	1.9
269.16086	21.2
270.00165	0.5
270.16403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.94068	0.7
53.03949	2.4
54.42115	0.7
55.01869	3.7
55.05513	21.2
56.87285	0.8
57.03439	30.8
57.07080	4.0
65.03944	2.3
66.96712	0.7
67.05506	76.7
69.07069	27.6
69.07447	1.4
69.78020	1.3
71.04990	6.3
71.08618	1.1
74.72919	0.7
77.03932	1.0
79.05497	43.5
81.03425	1.9
81.07059	100.0
83.04980	9.3
83.08620	19.7
85.02902	1.1
85.06553	6.8
91.05483	25.4
93.07047	68.8
95.04971	7.6
95.08614	25.5
97.06533	17.6
97.10171	2.6
98.22747	1.6
99.08068	4.3
104.99271	9.6
105.04520	2.7
105.07022	9.5
107.08598	35.1
109.06524	3.7
109.10149	4.8
111.08077	8.5
111.11720	1.2
112.16914	0.8
113.06023	1.3
113.09643	1.3
117.07020	12.6
119.08593	3.4
121.06526	1.7
121.10150	18.6
123.11726	2.5
125.09617	0.8
131.08580	12.8
133.10124	11.5
135.08092	1.6
135.11694	11.5
139.07550	0.8
139.11234	2.4
147.11658	0.9
149.09651	0.9
149.13258	40.3
149.27617	0.7
151.11166	1.7
157.10114	1.1
159.11702	26.0
161.13304	1.5
167.14337	1.9
177.12753	12.9
179.14145	0.7
179.32365	0.6
183.57390	0.7
186.99556	2.8
195.13805	16.1
201.04126	0.7
213.14848	1.7
269.17471	73.5
270.17871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	1.9
54.40485	1.4
55.01867	2.3
55.05515	22.4
57.03181	2.1
57.03440	33.2
57.07075	4.7
65.03919	3.2
67.05506	80.5
69.07072	29.0
69.21011	6.6
71.04987	5.2
71.08620	1.8
77.03933	2.1
79.05497	42.0
81.03426	2.4
81.07059	100.0
83.04996	13.7
83.08620	19.4
85.06543	6.8
85.09619	1.4
91.05484	27.1
93.07046	72.5
94.07348	1.5
95.04980	10.1
95.08611	31.0
97.06541	17.6
97.10181	2.4
98.22687	3.1
99.04491	1.6
99.08096	5.1
104.99271	26.3
105.04516	2.5
105.07040	10.9
107.08596	36.8
109.06513	5.1
109.10164	4.5
111.08126	8.8
113.09616	1.6
117.07005	9.6
118.58583	1.4
119.08592	3.1
121.10147	21.5
123.11717	4.9
131.08572	11.1
133.10127	12.8
135.08028	2.7
135.11700	11.1
139.11162	2.8
149.09621	2.5
149.12102	3.2
149.13263	48.4
159.11703	21.6
161.13268	1.8
167.14368	2.1
177.12769	14.6
186.99538	7.5
195.13809	15.1
269.17474	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.73318	1.9
53.03950	2.3
55.01865	4.7
55.05508	25.0
57.03440	29.8
57.07076	3.4
67.05160	4.1
67.05507	77.6
68.96254	2.4
69.07074	36.1
69.54832	7.9
69.55230	4.3
70.06579	2.7
71.04982	7.3
75.47038	2.0
77.03912	3.2
79.05495	48.9
81.03402	2.4
81.07059	100.0
83.04990	12.6
83.08620	19.4
85.06534	6.5
91.05479	32.1
93.07049	81.7
95.04973	9.1
95.08614	23.5
97.06519	17.4
98.23389	5.9
99.08078	3.6
99.52473	2.1
104.99278	47.4
105.04517	2.5
105.07014	13.6
107.08598	37.8
109.06496	7.9
109.10172	5.8
111.08089	10.2
113.06046	2.8
117.07030	12.0
119.08592	3.5
121.10138	35.6
123.11684	4.6
131.08546	16.4
133.10124	20.6
135.08017	3.9
135.11697	13.8
149.09627	19.6
149.13248	36.7
150.13646	2.8
159.11688	30.5
161.13213	3.4
167.14297	2.3
177.09186	8.9
177.12732	13.2
181.12364	3.1
184.68924	2.3
186.99561	10.2
195.13795	20.4
209.11754	6.4
213.14987	2.5
269.17480	80.1
270.17783	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03949	2.6
55.01861	3.2
55.05509	23.2
56.01819	1.7
57.03182	2.2
57.03437	30.9
57.07061	2.4
65.03913	2.6
67.05504	75.0
69.07066	28.5
71.04971	6.6
71.08632	2.0
79.05488	48.8
81.07055	100.0
83.04984	13.2
83.08617	18.9
85.06519	5.0
91.05476	27.0
93.07043	72.0
95.04436	2.0
95.04955	10.4
95.08114	2.3
95.08607	27.1
97.06525	17.0
97.10126	2.1
99.08072	5.7
104.99270	24.6
105.04534	1.9
105.07033	12.7
107.08587	31.3
109.06518	2.8
109.10141	5.8
111.08068	7.9
117.06992	13.0
119.08596	3.6
121.10159	19.7
123.11642	4.7
131.08566	13.3
133.10124	15.2
135.11693	9.8
139.11192	2.9
147.11694	3.1
149.13251	43.4
151.11203	2.6
157.64404	1.7
159.11684	21.3
177.12721	11.8
184.36623	1.7
186.99527	4.5
193.47574	1.7
195.13805	16.9
269.17432	73.7
281.00812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02360	1.4
53.03934	3.0
55.01864	3.2
55.05513	18.0
57.03439	30.7
57.07056	3.4
62.31827	1.0
65.03943	2.3
67.05505	76.0
69.03444	1.2
69.06710	1.9
69.07068	27.9
69.72057	2.8
70.92126	1.3
71.04992	6.7
79.05497	42.8
81.03422	1.8
81.07056	100.0
83.04969	11.5
83.08620	16.4
85.06548	5.0
91.05479	29.4
93.07047	73.7
95.04964	9.9
95.08610	27.2
97.06526	16.2
97.10152	2.7
99.08096	5.1
104.99233	2.3
105.04499	2.4
105.07034	9.1
107.08593	38.3
109.06511	3.2
109.10141	4.6
110.07201	1.9
111.08089	8.8
113.06013	1.5
113.09664	1.6
117.07017	11.2
119.08556	2.9
121.06472	1.6
121.10155	19.2
123.08150	1.1
123.11706	2.7
125.09655	1.5
131.08588	12.2
133.10133	12.2
135.08067	2.5
135.11713	11.7
139.11169	2.9
147.11678	2.3
149.09596	1.4
149.13252	46.0
151.11166	2.5
156.48161	1.3
159.11682	29.5
161.13268	2.3
167.14368	1.9
177.12730	16.2
179.14297	3.9
186.13539	1.0
195.13811	16.5
213.14842	1.8
250.32220	1.0
269.07980	1.6
269.17474	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.01865	3.1
55.05256	2.0
55.05510	21.2
57.03438	32.4
57.07063	4.4
63.94357	1.2
65.03945	2.6
65.46557	1.4
67.05504	73.8
68.05839	1.5
68.11351	1.3
69.07072	26.9
69.86078	1.6
69.86401	3.3
71.04996	6.5
73.02898	1.5
74.09691	1.7
77.03954	2.0
79.05045	2.5
79.05495	44.5
79.48643	1.5
81.03400	1.9
81.07056	100.0
83.04987	11.1
83.08615	18.6
85.06551	8.6
89.26834	1.2
91.05479	32.6
93.07043	66.8
93.71563	1.3
95.04972	7.4
95.08604	25.7
97.06538	14.6
97.10137	2.3
99.08094	5.3
104.99284	2.3
105.07033	10.5
105.99162	1.3
107.08595	36.2
109.06543	2.0
109.10149	3.8
110.07173	1.5
111.08088	8.2
113.09611	1.8
117.07014	12.2
119.08562	2.9
121.06545	2.1
121.10151	15.3
123.11712	5.3
123.73306	1.5
125.09603	1.8
127.07581	1.9
131.08578	12.4
133.10136	16.0
135.08032	2.9
135.11681	12.1
149.13258	45.3
151.11214	3.1
156.13811	4.8
159.11696	32.8
161.13234	3.8
168.13802	2.1
177.12721	18.7
179.14278	4.2
195.13791	19.3
196.13396	2.5
213.14851	2.8
246.04007	1.4
269.17468	87.3
269.22165	2.6
270.17789	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.01839	3.1
55.05507	19.2
57.03436	27.1
57.07071	4.9
67.05506	76.9
69.07067	23.7
71.04977	7.4
71.10767	3.4
79.05494	43.4
81.07058	100.0
83.04968	8.6
83.08629	14.0
85.06524	5.5
88.36253	2.4
91.05484	30.3
91.14893	2.6
93.07043	72.5
95.04967	8.3
95.08614	24.0
97.06521	16.5
97.10178	2.5
104.99274	65.9
105.07026	9.5
107.07927	2.8
107.08603	35.3
107.74178	2.2
109.06589	2.0
109.10181	4.3
111.08086	11.4
117.07019	11.4
119.08568	3.8
121.10134	18.6
123.11697	5.7
131.08571	9.9
133.10120	11.2
135.08044	3.3
135.11678	15.3
139.11143	2.7
143.29659	2.3
149.09627	3.2
149.13246	39.2
151.11157	4.1
159.11696	28.7
161.13257	2.5
177.12785	14.4
186.99554	16.7
195.13828	15.7
269.17465	73.7
270.17740	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03941	2.2
55.01871	1.6
55.05508	19.0
57.03435	25.9
57.07074	2.3
59.05003	0.8
65.03928	1.7
66.23533	0.5
67.05502	76.1
68.05846	1.0
69.03424	1.0
69.07066	22.7
70.06602	0.5
70.73441	1.1
71.04994	5.1
73.02937	0.8
77.03941	1.7
79.05489	44.0
81.03430	0.9
81.07052	100.0
82.07384	0.9
83.04975	8.1
83.08615	16.0
83.09100	1.1
85.06545	8.0
91.05473	30.5
93.07040	73.2
95.04953	8.7
95.08601	24.0
97.06523	16.3
97.10159	2.7
99.08091	4.6
103.03928	0.6
105.04523	1.9
105.07020	11.8
107.04963	1.2
107.08588	29.4
108.08942	0.7
109.06536	4.2
109.10134	4.9
110.07091	1.3
111.08074	8.1
111.94839	0.6
113.06046	1.0
113.09663	0.8
115.05470	1.0
117.07011	14.4
119.08600	3.1
121.06495	1.1
121.10139	12.6
123.08096	0.9
123.11713	4.9
125.09646	0.9
127.07536	1.0
127.89957	0.5
129.07050	1.0
129.76306	0.6
131.08559	17.5
133.10127	19.5
135.08051	2.4
135.11693	14.3
139.07542	0.6
139.11145	0.7
147.11699	1.8
149.09564	1.0
149.13248	39.8
150.13568	0.8
151.11163	2.9
157.10135	0.9
159.11681	38.0
160.11975	0.7
161.13197	3.6
166.08659	0.8
167.14325	1.4
174.42291	0.6
177.12738	26.3
178.13098	0.9
179.14261	3.5
195.13795	15.2
195.15582	1.0
213.14819	2.2
251.12669	0.8
251.16383	3.7
269.17459	80.6
270.17709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02370	0.7
53.03943	1.6
55.01861	2.4
55.05513	20.9
57.03439	19.6
57.07064	1.7
59.05003	1.1
65.03941	2.2
67.05505	79.7
68.05843	0.7
69.03457	1.1
69.07070	24.3
71.04996	6.0
71.08629	0.8
73.02914	1.0
77.03928	1.9
79.05495	46.8
81.03416	1.2
81.07058	100.0
82.07424	0.8
83.04984	9.7
83.08115	0.8
83.08621	17.2
85.02886	0.8
85.06543	7.4
87.04430	0.5
88.46245	0.5
88.88008	0.5
91.05483	32.4
93.07046	77.3
94.07364	1.1
95.04967	9.9
95.08607	27.1
96.08909	0.7
97.06533	17.8
97.10163	2.3
99.04456	1.2
99.08086	6.5
103.03975	0.8
105.04511	2.4
105.07027	16.1
107.04945	1.9
107.08598	29.1
109.06529	4.7
109.10152	5.4
110.07166	2.7
111.08089	8.6
113.06020	1.0
113.09669	0.7
115.05453	0.6
116.06236	0.6
117.07019	15.6
119.04922	0.9
119.08578	4.6
121.06519	3.7
121.10151	12.0
123.08070	1.5
123.11719	5.3
125.05991	1.8
125.09627	1.2
127.07590	0.9
129.07027	1.0
131.08568	17.6
133.10138	19.2
133.11142	1.1
135.08075	3.2
135.11693	15.2
137.05966	0.8
137.13350	0.6
139.07507	1.2
143.07034	0.8
143.08582	0.9
145.10124	5.1
147.11667	1.8
149.09604	1.3
149.13260	34.9
150.13568	0.6
151.07491	0.7
151.11179	3.1
158.07309	0.8
159.11700	39.1
160.12009	0.8
161.13264	5.7
163.11174	6.4
167.14328	1.6
169.10097	0.6
173.09607	3.1
173.11705	1.4
173.13145	0.5
177.12744	25.8
179.14278	6.4
181.12187	1.9
187.11156	2.4
191.10654	1.7
195.13799	13.4
197.09618	2.1
205.12251	2.0
209.11688	1.2
213.14902	2.0
215.10661	3.6
227.12749	1.0
233.11679	2.9
251.12730	1.5
251.16483	1.3
269.13708	3.0
269.17477	89.7
270.17731	2.0
282.49731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03950	1.8
54.43206	0.5
55.01868	2.7
55.05511	19.4
57.03437	32.5
57.07077	3.5
59.04998	1.0
65.03927	2.4
67.05503	75.5
68.05817	0.7
69.03429	1.3
69.07066	27.8
71.01344	0.7
71.04993	6.6
71.08625	0.9
73.02907	1.0
74.09180	0.4
77.03918	1.2
79.05492	47.2
80.05824	0.8
81.03427	1.3
81.07054	100.0
82.07379	1.1
83.04981	10.0
83.08617	17.4
85.02912	0.8
85.06041	0.8
85.06542	10.8
91.05478	28.0
92.05814	0.6
93.07043	69.5
94.07381	0.8
95.04974	8.4
95.08604	22.1
97.06531	16.2
97.10159	2.5
99.04467	1.4
99.08088	5.3
103.03951	0.6
104.99261	1.1
105.04520	1.4
105.05907	0.5
105.07027	11.5
107.04953	1.4
107.08591	34.8
109.06527	5.9
109.10149	5.4
110.07183	1.6
111.08085	9.8
111.11734	0.7
113.05996	1.4
113.09635	1.1
117.07014	12.7
119.06015	0.5
119.08582	3.2
121.06503	1.4
121.09270	0.9
121.10139	18.0
123.08105	0.7
123.11702	3.5
125.06030	1.3
125.09644	0.7
127.07536	3.6
129.06998	0.7
130.07758	0.6
131.08565	13.8
133.10123	15.5
135.08054	2.2
135.11687	11.6
137.05962	1.7
139.07553	0.9
139.11180	1.3
143.07062	1.3
145.10089	2.3
147.11668	1.8
149.09569	0.9
149.13254	46.1
150.13554	0.8
151.11183	2.3
153.09103	1.1
159.11691	31.0
160.12000	1.2
161.13240	2.2
167.14314	1.9
173.09618	0.7
177.12744	16.3
179.14278	1.7
187.11183	1.5
191.10596	1.1
195.13785	16.0
205.12296	1.8
209.11699	1.2
213.14812	1.8
215.10709	1.3
233.11763	1.6
250.44197	0.5
251.12785	2.0
251.16428	1.2
269.17465	74.9
270.17850	1.9
271.22913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
56.05039	3.3
59.05005	15.7
61.02921	3.3
63.43715	2.7
69.07066	4.9
69.95547	3.6
69.95860	6.1
70.06582	7.7
72.08147	10.6
73.06566	22.1
75.04475	16.6
83.06123	5.5
84.08138	4.5
85.02897	12.9
86.09702	23.2
87.04468	39.5
89.06012	4.4
91.07584	8.9
94.65379	3.2
96.08131	11.4
98.22720	2.7
103.03940	19.7
107.05008	3.3
110.07169	37.0
111.06829	4.8
111.07496	15.3
114.09159	37.7
119.03433	19.1
122.07069	3.0
128.53436	3.5
131.03392	23.2
136.06184	15.9
137.06548	5.9
138.05508	11.1
156.07713	4.9
161.04474	35.8
166.08620	2.7
175.02350	3.8
175.61298	3.1
189.03912	3.6
195.08759	9.4
206.15350	3.0
215.08134	2.4
217.03442	100.0
224.15961	4.4
235.04466	51.8
252.07236	4.5
252.15715	10.8
270.09448	11.0
270.16934	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07219	1.2
55.01867	2.6
55.05518	6.8
56.96561	3.0
57.03442	6.1
61.02926	8.7
69.03440	15.3
69.97851	3.1
70.06596	7.0
71.05003	2.0
72.08156	2.3
73.02923	5.0
73.06558	54.7
81.03420	4.5
84.08141	3.0
85.02907	100.0
86.09711	11.8
87.04474	1.8
89.09002	1.1
91.03978	4.9
92.21267	1.3
93.04531	1.3
94.04880	1.3
96.08148	1.5
97.02892	21.2
98.97598	1.7
99.04458	3.6
100.30711	1.2
101.00912	3.1
109.02864	7.9
110.07165	13.9
111.07486	8.1
114.09174	5.7
115.03970	1.4
116.98730	1.3
119.01921	3.9
127.03924	24.4
127.08703	2.2
135.00494	1.1
136.06198	3.1
138.05502	45.8
138.06578	2.2
142.77104	1.1
145.04964	46.1
155.08110	1.6
156.07791	1.5
163.06027	18.7
177.00943	2.0
201.02417	1.4
217.10751	2.0
219.03667	2.3
229.02058	1.7
247.01306	2.6
247.03395	2.0
252.15712	2.4
253.12939	3.0
265.02673	7.1
270.16898	8.1
271.11465	1.9
271.14236	1.3
289.12421	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	270.2065
Annotation	N-undecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
51.03149	0.4
55.05512	0.5
56.05009	0.6
56.41533	0.3
58.06594	0.6
59.64073	0.3
60.76442	0.3
68.05015	0.3
70.06576	1.5
70.07493	0.8
70.07835	0.4
71.04992	1.8
79.05492	0.5
80.43230	0.4
81.07040	0.4
82.06573	2.1
82.63560	0.4
83.08583	0.5
84.08119	0.7
93.07068	0.8
94.06567	0.8
95.08581	0.6
96.08127	3.5
98.97551	0.4
108.08091	0.7
110.09663	2.2
122.09700	1.8
124.11144	0.4
128.36412	0.3
137.12009	0.4
166.15862	0.5
182.15390	0.9
194.15466	0.9
200.16499	0.7
212.16443	4.4
221.25706	0.4
222.95081	0.4
252.19511	4.3
270.20627	100.0
271.05820	0.5
271.20917	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	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.47760	0.0
56.51302	0.0
63.28749	0.1
65.03941	0.0
67.01514	0.1
67.01865	1.4
67.05487	0.0
68.99432	0.1
68.99787	0.9
69.03435	0.1
69.39986	0.1
69.40318	0.2
70.11571	0.0
85.02930	0.1
86.63373	0.0
91.05479	1.2
95.04978	0.1
95.31886	0.0
96.00209	0.0
97.02883	0.1
99.04412	0.0
109.02880	0.1
111.00837	0.1
119.04942	5.0
120.05270	0.1
121.00995	0.1
121.02871	1.5
125.02367	0.1
127.03914	0.1
128.90047	0.0
129.01837	0.2
131.04855	0.1
141.07001	0.2
145.02832	1.3
145.06487	0.1
153.01823	10.5
154.02188	0.1
155.04950	0.0
157.06400	0.1
163.03899	0.8
168.47427	0.0
169.06549	0.2
171.02887	0.7
173.05980	0.1
173.32503	0.0
187.04021	0.3
197.06009	0.2
201.05586	0.1
202.06322	0.1
203.07085	0.2
209.46310	0.0
211.03870	0.1
225.05400	0.5
229.05022	0.5
243.06505	0.7
247.06018	0.1
253.04927	0.2
254.05830	0.1
270.20352	0.1
271.05994	100.0
272.06329	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	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05516	1.2
58.54991	0.9
67.05522	0.7
69.07075	0.9
69.54733	3.5
69.65073	0.7
77.58761	1.0
79.05467	1.0
81.07044	2.7
93.07024	1.0
95.08613	1.4
100.07571	1.0
105.07036	1.3
106.06599	0.7
107.08588	0.9
108.08125	2.6
109.10133	1.2
118.06527	1.3
119.08620	0.9
120.08123	1.2
129.07005	0.9
133.10149	1.5
142.07809	1.1
145.08887	1.0
148.07591	1.2
157.10162	1.5
159.09207	1.9
159.11620	0.8
162.54521	0.7
166.07874	0.8
168.08080	6.5
169.08855	3.5
181.10107	1.1
182.09605	2.0
183.10435	11.6
186.11565	1.0
196.07549	1.1
197.08377	2.4
198.09196	0.8
198.12840	6.7
199.08626	4.2
199.12343	1.6
200.45587	0.8
208.11005	0.8
210.09294	1.1
211.09914	4.7
212.09467	2.1
213.10228	8.5
214.10942	1.8
215.15485	3.4
225.13676	1.1
226.12318	14.6
227.08261	1.8
227.11784	29.9
228.12584	26.5
229.12997	1.4
240.08925	2.2
241.09760	2.2
241.13365	1.2
242.10197	0.9
243.14925	16.2
253.13396	1.9
254.11751	0.9
254.24844	2.6
255.11301	55.2
256.12057	68.7
257.12372	2.0
269.12866	2.2
271.14423	100.0
272.14777	3.6
272.25800	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	272.1129
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
56.82194	0.4
56.96564	8.4
57.03432	1.2
59.23816	0.5
61.02923	0.6
65.03936	5.4
67.75259	0.5
69.03430	2.5
69.77607	1.0
69.77951	0.8
70.06590	7.4
72.93298	0.5
73.02905	1.6
80.05025	0.8
81.03410	0.8
84.96030	4.2
85.02902	8.1
87.04459	1.3
92.05001	70.3
93.05299	0.6
93.05792	6.2
94.06564	9.4
94.66817	0.5
97.02891	2.2
98.06010	0.6
98.97589	3.0
99.04427	0.7
103.03943	0.5
104.07248	0.5
109.02890	0.5
110.06038	100.0
111.06356	1.2
112.08706	0.8
115.00694	0.9
116.07077	1.5
116.98610	1.3
118.81857	0.5
124.99103	5.4
126.97026	0.6
127.03892	1.8
142.99135	0.7
143.00163	8.6
144.98067	1.0
152.07066	4.0
157.10808	0.6
158.99641	0.9
161.01213	5.8
162.99164	1.4
168.98091	0.6
175.11908	1.0
176.07045	0.7
177.00645	1.0
186.99153	0.6
205.00195	3.4
213.12309	0.8
223.01271	3.7
248.99170	1.9
254.10277	4.0
255.14511	0.6
267.00174	1.8
272.11267	44.7
272.17212	6.0
273.11566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82194	0.4
56.96564	8.4
57.03432	1.2
59.23816	0.5
61.02923	0.6
65.03936	5.4
67.75259	0.5
69.03430	2.5
69.77607	1.0
69.77951	0.8
70.06590	7.4
72.93298	0.5
73.02905	1.6
80.05025	0.8
81.03410	0.8
84.96030	4.2
85.02902	8.1
87.04459	1.3
92.05001	70.3
93.05299	0.6
93.05792	6.2
94.06564	9.4
94.66817	0.5
97.02891	2.2
98.06010	0.6
98.97589	3.0
99.04427	0.7
103.03943	0.5
104.07248	0.5
109.02890	0.5
110.06038	100.0
111.06356	1.2
112.08706	0.8
115.00694	0.9
116.07077	1.5
116.98610	1.3
118.81857	0.5
124.99103	5.4
126.97026	0.6
127.03892	1.8
142.99135	0.7
143.00163	8.6
144.98067	1.0
152.07066	4.0
157.10808	0.6
158.99641	0.9
161.01213	5.8
162.99164	1.4
168.98091	0.6
175.11908	1.0
176.07045	0.7
177.00645	1.0
186.99153	0.6
205.00195	3.4
213.12309	0.8
223.01271	3.7
248.99170	1.9
254.10277	4.0
255.14511	0.6
267.00174	1.8
272.11267	44.7
272.17212	6.0
273.11566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2009
Annotation	2-Nonylquinolin-4(1H)-one
Peak:m/z	Relative Intensity
55.05508	22.0
55.49436	5.1
57.03448	7.8
67.05502	13.8
69.07069	16.1
70.06589	28.1
70.25696	12.9
79.05489	9.0
83.08636	6.6
84.29655	5.6
89.35161	5.5
91.05495	23.4
93.07068	8.6
94.06566	7.6
95.04990	5.7
95.08627	7.0
97.06518	11.6
105.07041	10.5
107.08588	7.8
112.32442	5.3
115.05437	26.5
116.98603	5.7
117.06991	9.0
128.06183	38.6
129.07019	20.2
131.08589	7.2
141.06972	15.9
142.07811	9.8
143.08582	6.8
144.08058	10.3
145.08908	8.4
152.06163	9.1
153.07011	24.1
154.07716	7.1
155.05965	9.8
155.08618	15.7
158.09657	8.6
165.07034	18.3
167.08556	11.9
170.09547	6.9
181.10179	7.6
254.19031	100.0
272.20096	76.0
272.25809	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.222
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
55.05502	2.0
56.05016	0.9
58.06581	2.0
67.05500	3.5
69.07053	2.5
70.06592	10.9
71.04989	0.9
71.45219	0.5
72.08155	1.3
79.05472	1.3
81.07043	4.9
83.08600	1.8
84.08130	2.4
84.57081	0.6
88.07639	3.7
93.07040	1.1
95.08609	3.9
96.08170	0.9
97.10178	0.9
98.09665	1.5
98.97544	1.8
107.08588	1.0
109.10147	2.5
112.11242	1.9
115.09297	0.5
116.98638	1.4
119.08535	1.0
121.10143	1.1
122.58092	0.6
123.89133	0.7
134.99692	0.7
148.49223	0.6
191.72015	0.6
195.52446	0.6
236.20062	6.1
254.21143	34.7
255.21443	1.0
258.00266	0.6
269.30533	0.7
272.22186	100.0
273.16663	0.7
273.22455	2.8
289.33698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.222
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
55.05518	1.2
56.05035	1.8
56.06959	0.1
57.03430	1.4
58.06599	3.2
67.05504	1.9
69.07062	1.5
70.06586	1.9
70.87053	0.1
70.87408	0.1
71.04973	0.4
71.07359	0.4
72.08149	1.6
79.05490	0.9
81.07055	4.6
82.06556	0.2
83.04951	0.3
83.08627	0.8
84.08138	7.4
85.06524	0.5
88.07641	0.7
91.05476	0.7
93.07038	0.9
95.08602	3.1
96.08111	0.4
97.06524	0.4
97.10137	0.4
98.05988	0.2
98.09698	0.9
98.97565	0.2
99.08060	0.2
105.07046	0.7
107.08591	0.8
109.06506	0.3
109.10159	0.9
110.09641	0.4
111.08060	0.3
111.10393	0.2
112.11229	1.3
119.08560	0.3
121.10140	0.7
123.08060	0.3
123.11691	0.5
125.09619	0.3
131.08533	0.2
133.10106	0.9
134.99623	0.2
135.11711	0.2
143.11441	0.2
145.10097	0.2
147.11627	0.4
149.13220	0.2
167.14409	0.2
182.15443	0.2
187.14864	0.1
205.15715	0.2
236.20088	3.1
254.21135	26.8
255.21475	0.7
272.22180	100.0
273.12888	0.4
273.16116	0.2
273.22525	3.3
290.94644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.05032	0.7
56.56332	0.2
58.06608	0.8
64.23498	0.2
67.05509	2.5
69.07072	1.5
70.06592	6.5
70.96210	0.4
71.04986	1.0
71.07359	0.4
72.08159	1.1
76.05562	0.2
79.05492	0.9
80.28014	0.2
81.07053	4.0
83.08619	0.8
84.08143	2.7
85.06568	0.2
85.08887	0.3
86.09695	1.0
88.07626	4.6
91.05478	0.6
93.07027	0.7
95.04952	0.3
95.08605	3.2
96.08138	0.9
97.06531	0.5
97.10142	0.3
98.09697	1.9
105.07019	0.8
106.19330	0.2
107.08590	1.2
109.06503	0.3
109.10139	1.7
110.09650	0.3
112.11246	2.8
112.79539	0.2
119.08573	0.4
121.10178	0.4
123.08088	0.3
123.11762	0.3
133.10123	0.3
147.11674	0.5
186.14885	0.3
221.03766	0.2
226.17862	0.4
236.20073	1.4
254.21152	28.3
255.21518	0.7
265.93356	0.2
272.22192	100.0
273.22534	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	272.2219
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
53.03920	0.4
55.01836	0.3
55.05510	2.4
56.05014	0.8
57.03407	0.8
58.06599	3.1
64.14872	0.3
67.05169	0.3
67.05495	5.3
69.07066	2.2
70.06585	18.0
70.32352	0.5
70.83391	0.3
71.04950	0.4
73.06535	0.6
74.06054	0.3
79.05486	1.9
81.07050	11.4
82.06543	0.9
83.08614	1.4
84.04465	0.6
84.08106	1.0
85.06523	0.6
91.05444	0.8
93.07022	1.9
95.08025	0.5
95.08595	8.2
96.08073	0.8
97.06493	1.0
97.10146	0.7
98.09666	1.1
98.97553	0.6
99.08070	0.4
105.07000	1.3
107.08599	1.5
107.74638	0.2
109.06489	0.6
109.10152	1.8
110.06017	0.3
110.09610	0.5
116.98621	0.4
119.08545	1.0
121.10139	1.9
123.08040	0.9
123.11709	1.3
131.08531	0.3
133.10059	0.4
135.11632	0.4
140.10680	0.6
145.10120	0.5
147.11639	1.2
149.09578	0.4
172.13275	0.6
187.14790	0.5
194.18935	0.4
222.18495	11.1
226.17871	0.4
243.81891	0.3
254.21123	54.7
255.21463	1.7
272.22171	100.0
273.22427	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	272.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18254	0.6
53.85654	0.5
55.05512	9.4
57.07027	8.4
57.37093	0.6
57.59631	0.6
58.06600	4.5
62.06044	1.9
63.78154	0.6
65.84849	0.5
69.07072	12.1
69.97380	1.3
69.97750	1.2
71.08630	3.8
79.18764	0.5
83.08615	7.1
85.10130	2.1
85.62988	0.6
97.10179	6.2
100.07623	0.7
103.40029	0.6
111.11681	1.7
254.28429	100.0
255.28781	2.7
272.29483	50.7
273.18808	0.7
273.29892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	14.9
56.96836	0.8
60.05637	0.8
70.06594	10.3
70.91310	0.8
72.96056	1.3
74.97633	1.0
80.71547	0.7
82.99268	0.6
83.97643	2.5
86.09705	1.3
87.04467	0.6
97.99213	0.7
98.97578	17.3
109.99185	0.6
114.02305	2.1
116.98618	8.6
123.02365	0.6
126.02312	1.9
132.03328	0.8
134.99670	3.4
136.00705	1.2
139.01816	1.4
141.03351	10.9
142.01799	1.9
143.04910	12.0
144.03337	1.2
145.06505	2.1
150.03450	2.4
151.01799	1.1
152.04964	1.0
153.03381	2.6
154.01776	2.7
158.06813	0.7
159.04457	2.7
160.02818	1.1
161.06004	2.9
163.07570	0.8
166.02887	16.6
168.04454	8.9
169.02844	6.9
169.07631	1.4
170.06012	35.0
171.04402	31.3
172.02850	2.7
184.03954	5.1
185.44920	0.6
186.05626	2.9
187.03938	2.9
187.08667	8.5
188.07074	19.4
188.08659	1.1
189.05475	25.7
190.03815	4.2
195.05600	2.4
196.04019	1.4
197.02377	1.3
205.09792	2.4
206.08151	1.0
207.06537	9.7
208.04948	1.7
213.06865	24.3
214.05150	10.2
215.03482	1.3
217.08482	0.7
219.02072	0.9
225.07504	0.7
231.07693	100.0
232.06081	12.9
232.08040	1.3
232.10457	1.6
237.65665	0.6
249.08707	30.3
249.96240	1.0
254.09340	2.5
255.07625	17.4
255.10201	1.0
272.18814	0.7
273.08630	9.3
273.18918	1.1
274.20087	2.3
290.94763	1.0
291.09805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05508	4.1
57.03425	1.8
57.07061	2.6
57.80488	1.3
65.03970	1.3
67.05499	5.9
69.03442	1.5
69.07063	5.5
70.01240	3.8
70.06564	1.8
74.55309	1.3
79.05486	6.3
81.07055	8.4
83.05002	1.9
83.08617	1.9
85.06530	2.2
91.05476	11.9
93.07035	8.5
95.04960	3.4
95.08605	5.5
96.75473	1.2
97.06551	1.9
98.23483	1.8
98.97566	2.9
105.07029	22.6
107.08589	9.5
109.06521	12.2
109.10155	2.1
111.04403	1.4
111.08066	1.6
116.98622	1.6
117.06980	7.0
119.08578	15.8
121.10144	11.7
123.08074	3.8
128.06244	2.1
129.07004	5.1
130.07803	2.8
131.08566	14.1
133.06509	3.7
133.10153	9.6
135.08044	6.1
141.07018	4.0
142.07785	5.8
143.08572	15.1
145.10136	16.8
147.08096	3.8
147.11682	7.2
149.09581	3.4
153.07088	1.7
155.08557	11.6
156.09335	13.1
157.10135	21.5
159.08119	3.3
159.11696	7.2
161.09587	5.3
165.06946	2.3
166.07753	1.9
167.08511	3.0
168.09294	1.7
168.48460	1.5
169.10139	17.4
170.10808	4.3
170.39996	1.7
171.11671	20.1
172.12456	2.2
173.09637	11.2
173.13297	4.8
175.11208	7.8
179.08586	2.1
180.09351	2.8
181.10088	7.9
182.10910	8.8
183.11667	7.5
185.09668	2.9
185.13220	7.9
187.14816	1.9
189.12750	11.2
193.10083	2.8
195.11720	9.9
196.12379	4.4
197.11520	2.8
197.13240	30.0
198.14012	4.3
199.11140	14.1
207.11734	3.3
208.12541	2.4
209.13271	4.5
211.14824	15.9
212.15587	9.9
213.12764	3.8
213.16374	20.4
214.13441	1.8
215.14287	8.6
217.12112	1.4
222.14090	2.6
225.12639	3.4
227.14371	7.5
229.15916	6.3
230.16646	2.0
231.17351	2.9
237.16397	6.2
240.15096	5.4
255.17426	49.7
256.17651	2.1
273.18491	100.0
274.18845	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	274.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	5.8
57.03431	2.2
60.05643	2.6
67.05509	1.3
69.07067	3.8
70.06590	12.2
71.04996	2.7
72.08144	9.1
81.07042	2.1
82.83952	1.1
82.99888	1.4
84.08144	3.2
86.09705	53.6
87.10046	2.5
91.05471	1.8
95.08603	1.4
97.06522	6.1
98.09698	2.6
98.97572	10.4
99.04469	1.8
99.97906	1.1
100.02493	1.4
101.00879	15.5
101.01457	1.6
110.77490	1.1
114.09153	1.5
116.07053	2.2
116.98659	3.4
117.03955	1.3
118.03527	4.9
119.01923	42.5
120.02061	2.5
131.01884	2.5
133.01666	1.4
136.04590	1.3
137.02950	10.9
141.03305	1.2
142.03571	1.8
144.05132	2.0
144.10194	6.4
145.03470	4.5
154.03580	1.6
155.05582	1.4
159.05037	4.9
160.02670	2.5
166.02827	1.4
167.03276	1.8
168.08737	2.8
170.05960	2.0
171.04399	2.5
171.06429	2.3
171.10887	1.6
172.04686	4.3
173.06598	1.3
175.11874	4.4
177.06207	1.3
186.09753	33.5
187.04510	1.3
187.09949	5.0
189.02469	1.9
189.07271	1.4
190.05876	2.5
200.09506	3.1
203.03983	1.8
204.10814	8.8
205.10873	2.0
213.02531	1.7
213.06819	1.2
214.07132	2.8
214.09213	47.5
215.05333	1.4
215.07623	2.4
215.09480	9.0
224.08142	1.3
228.09000	2.9
231.07645	2.7
232.07930	12.2
232.10271	100.0
233.06538	2.3
233.10468	17.0
234.10439	1.5
238.18085	1.7
239.09872	1.3
246.10132	2.8
250.09230	5.5
255.11917	1.7
256.08185	2.2
256.19101	4.6
260.08316	1.4
274.09555	10.0
274.20328	34.2
274.97534	4.4
292.10718	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	274.1763
Annotation	(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine
Peak:m/z	Relative Intensity
54.81305	0.4
55.05512	0.9
56.05020	0.5
56.70981	0.5
56.96568	0.7
57.03436	2.6
58.06589	0.9
60.05639	1.8
61.10866	0.4
62.07353	0.4
67.05489	1.3
69.07075	1.7
70.06591	9.4
71.01154	0.8
71.04990	3.2
72.08155	7.0
79.05512	2.2
81.07059	3.0
83.04985	0.8
84.08146	1.9
86.09708	100.0
87.04453	0.6
87.10043	0.6
90.05550	0.5
91.05479	1.9
93.07040	2.4
95.04956	1.0
95.08601	1.5
96.08147	0.8
97.06530	1.7
98.09705	4.0
98.97582	3.8
99.04459	2.9
99.08109	1.1
105.07022	0.9
107.08619	0.8
109.06509	1.5
112.08737	0.7
113.09665	1.2
114.09169	1.0
115.08675	0.6
116.07129	0.7
116.98647	1.9
117.05521	0.6
119.08567	1.2
120.38279	0.4
121.06519	0.9
129.10262	1.1
129.95398	0.5
133.10158	1.0
137.09689	0.5
142.12314	1.1
147.11739	0.8
157.13368	58.2
158.09251	0.9
158.13751	1.1
175.12025	3.5
185.12859	23.4
186.13245	0.6
196.17122	0.5
203.13895	5.4
225.04237	0.4
228.85831	0.5
238.18204	0.9
256.19070	7.4
257.15994	1.0
274.20255	55.0
274.97430	3.0
275.01651	1.0
275.20621	1.6
292.98648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
55.05507	2.4
56.05024	0.9
57.03439	3.7
58.06596	1.7
60.05639	0.6
67.05504	4.6
69.07067	2.5
69.59737	0.9
69.60113	0.8
70.06588	5.8
71.04984	1.8
72.08170	2.2
75.05602	0.7
79.05490	4.1
81.07056	5.8
82.06578	0.4
83.08619	1.0
84.04510	0.5
84.08142	5.1
84.75703	0.4
85.06545	1.2
86.09705	3.3
91.05471	1.9
93.07050	4.8
94.06552	0.9
95.04951	1.2
95.08602	4.1
96.08157	1.2
97.06551	2.4
97.10193	0.5
98.09698	1.3
98.97610	0.7
99.04463	0.5
99.08110	0.7
104.07108	0.6
105.07048	2.5
107.08598	3.2
108.08120	0.7
109.06548	1.2
109.10154	1.9
110.09684	1.4
111.08086	0.6
113.06011	1.1
113.09679	0.7
115.21451	0.4
116.07108	0.6
117.07018	0.8
119.08595	1.7
119.71169	0.4
120.08119	0.8
121.06450	0.4
121.10134	1.4
123.08070	0.8
125.06056	0.5
128.10730	2.6
131.08557	0.8
133.10130	1.7
135.11646	1.0
137.09581	0.5
143.11786	2.5
147.11671	1.1
149.09659	0.6
149.13278	1.7
151.11220	0.8
151.62196	0.5
154.12312	0.4
159.11697	1.4
161.13231	0.7
169.12260	0.8
171.11392	1.1
177.12660	0.4
189.12720	0.5
193.42027	0.4
194.15421	2.2
195.13756	0.7
212.16454	3.6
220.16936	2.9
238.18011	10.7
241.46744	0.4
256.19080	18.6
274.20148	100.0
275.20502	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	274.2015
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
55.05513	0.8
56.05037	0.5
56.45496	0.3
56.67696	0.3
57.03424	1.2
58.06598	2.7
58.18306	0.3
67.05500	2.2
69.07069	1.4
70.06595	3.0
70.50335	0.6
71.05006	0.6
72.08156	0.7
74.06071	0.7
79.05491	1.9
80.25648	0.3
81.07049	3.3
82.06578	1.1
83.04980	0.5
83.08630	0.4
84.04497	0.7
84.08117	0.8
85.02923	0.3
85.06533	0.4
86.09704	1.4
90.00033	0.3
91.05467	1.2
93.07051	2.2
94.06589	1.1
95.08598	2.7
96.08124	1.1
97.06545	0.8
98.09698	0.8
98.23453	0.3
99.08079	1.0
104.07057	0.4
105.07050	0.7
107.08607	1.0
108.08157	0.6
109.06521	0.3
109.10138	1.1
114.09141	0.3
119.08572	0.9
121.10134	0.8
128.10715	0.3
133.10159	0.7
135.11674	0.6
142.12292	0.4
143.11813	1.0
149.13264	0.4
154.12259	0.6
194.15384	3.0
212.16437	4.3
213.16811	0.3
220.16969	6.2
238.18018	19.2
239.18463	0.4
256.19073	5.7
256.22089	0.3
256.23019	0.4
274.20135	100.0
274.23578	6.0
275.20535	3.6
283.68900	0.3
287.63184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2014
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
54.29352	0.3
55.01858	1.0
55.05508	1.4
56.05025	0.8
57.03436	7.3
58.06603	0.6
67.05495	2.7
69.03403	0.4
69.07067	4.5
70.06594	1.3
71.04993	10.6
72.04483	0.4
72.08159	6.6
73.06541	0.3
74.11497	0.4
79.05496	4.3
81.07060	7.5
83.04991	1.4
84.08144	0.4
86.09686	0.4
87.04466	0.8
91.05488	5.4
93.07047	6.1
95.04956	1.9
95.08604	3.7
96.08129	1.8
97.06529	6.9
98.09691	8.6
98.97575	0.7
99.04453	9.8
99.08100	3.0
105.07010	3.6
107.08595	2.3
109.06532	3.2
109.10143	0.7
111.08102	0.8
113.06017	0.7
113.09634	2.0
114.09157	1.1
115.07547	0.6
117.05482	0.9
117.07049	0.9
119.08576	4.6
121.06513	1.4
121.10154	0.9
123.04434	0.4
123.08071	0.9
124.11247	0.6
125.05988	1.4
129.06992	0.6
131.08530	1.9
133.06546	0.7
133.10130	3.8
135.08057	1.9
137.09615	1.5
142.07784	0.6
142.12254	3.1
143.07004	0.7
147.11670	3.9
149.09683	0.4
151.07475	0.4
151.11171	0.9
157.10127	2.4
165.12694	1.0
175.11183	3.3
193.12265	2.4
196.16937	0.6
211.13249	1.0
220.16945	0.6
238.18053	3.4
256.19070	11.8
274.20117	100.0
274.97406	0.5
275.20468	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	274.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68115	0.3
53.76144	0.3
55.01864	0.4
55.05489	0.4
57.03188	0.4
57.03441	5.6
67.05502	1.4
69.07070	1.9
70.06597	0.7
71.04996	5.2
71.32512	0.4
72.08165	3.9
74.10741	0.4
79.05497	2.2
81.07058	2.4
83.04959	0.5
84.08124	0.4
85.08921	0.5
86.09707	0.6
87.04488	0.6
88.64368	0.3
91.05476	2.8
93.07048	3.8
95.04975	0.6
95.08620	1.8
97.06540	2.8
98.09698	6.9
99.04457	4.1
99.08094	1.4
102.09197	0.7
105.07025	1.1
109.06533	1.7
109.10170	0.5
111.08057	0.4
113.05987	0.4
113.09661	1.8
114.12877	0.3
115.07513	0.6
117.05457	0.6
119.08591	3.0
121.06493	1.1
124.11179	0.4
125.05985	0.5
129.06940	0.4
133.06473	0.5
133.10127	2.0
135.08093	0.9
137.09608	1.3
139.07538	0.4
142.12279	2.3
147.11717	0.9
151.11166	0.8
157.10086	0.6
175.11198	1.0
193.12276	0.8
200.45862	0.3
211.13318	1.0
238.18034	0.8
256.19107	7.9
274.20126	100.0
275.20456	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	274.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05511	1.0
57.03436	7.4
58.06609	0.5
58.34622	0.3
60.05634	0.4
67.05501	2.6
69.07071	2.6
69.99606	0.7
69.99961	0.4
70.06609	1.7
71.04985	4.1
72.04521	0.4
72.08150	4.5
79.05480	3.3
81.07055	4.4
83.04977	0.5
84.04502	1.2
84.08121	0.6
85.06567	0.5
86.09692	3.6
87.04464	0.7
91.05484	3.5
93.07052	4.8
95.04955	1.1
95.08607	3.2
97.06538	2.2
98.09691	6.3
99.04435	2.6
99.08078	0.9
102.05531	0.5
102.09193	0.6
102.66856	0.3
105.07030	2.0
107.08593	1.5
109.06533	2.1
109.10134	1.0
110.09689	0.5
111.08057	0.7
113.09631	1.0
114.09223	0.5
116.69296	0.3
117.07007	1.0
119.08571	2.6
121.06506	1.7
121.10094	0.4
123.11709	0.5
125.05998	0.7
125.09667	0.6
125.12129	0.3
129.07010	0.5
133.10110	2.9
135.08020	1.0
137.09598	1.3
141.24136	0.4
142.12259	1.4
144.06546	1.2
147.11710	1.7
151.11182	1.3
153.21069	0.3
157.10088	0.8
157.13338	0.4
162.07603	2.1
165.12776	0.5
169.12230	2.2
175.11212	1.1
193.12260	0.8
194.19014	0.3
196.17017	0.6
211.13248	1.2
212.20096	0.9
214.17989	1.3
238.18007	1.0
256.19080	7.5
257.19595	0.5
274.20120	100.0
274.97546	0.3
275.16058	0.5
275.20493	3.2
289.94092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79112	0.3
55.01878	0.6
55.05280	0.4
55.05514	2.8
56.05036	1.3
57.03435	8.4
58.06598	3.1
60.05652	0.8
60.96756	0.3
67.05503	5.2
69.07071	5.2
69.32635	0.8
69.33035	1.3
70.06596	5.3
71.04997	2.9
72.04513	0.6
72.08155	6.5
74.06054	0.6
79.05498	6.3
81.07056	14.4
82.06558	1.0
83.04971	0.6
83.08612	0.9
84.04527	0.5
84.08140	2.4
85.06549	1.7
85.08962	0.4
86.09709	3.4
91.05490	1.8
93.07045	7.0
94.06545	0.4
95.04998	0.6
95.08606	7.4
96.08141	2.3
97.06532	3.8
97.10169	0.4
98.09700	10.9
98.23444	0.8
98.97568	0.8
99.08095	3.5
102.09190	0.6
104.07066	0.4
105.07046	1.7
107.04961	0.3
107.08600	2.0
108.08115	0.6
109.06536	0.7
109.10169	1.6
110.09670	0.9
111.08050	0.6
113.09634	1.7
115.07553	0.7
116.07053	0.6
119.08597	1.6
121.10159	2.5
124.11180	0.7
125.09645	0.7
131.08601	0.4
133.10112	1.7
135.11674	1.2
136.41679	0.3
140.14293	0.4
142.12276	5.1
143.10802	0.4
143.11809	1.3
147.11679	0.6
148.18623	0.3
149.13298	0.4
159.98811	0.3
161.13089	0.5
175.11905	1.2
175.14796	0.4
194.15411	2.0
211.16864	1.0
212.16440	3.4
220.16939	4.4
238.18019	14.4
238.21620	0.6
239.18452	0.5
256.19073	7.0
256.22711	8.6
257.16196	0.5
274.20126	76.3
274.23737	100.0
274.97537	0.4
275.20493	3.1
275.24127	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	63.9
68.39679	22.0
70.19804	49.7
70.98113	50.4
72.08151	46.8
84.08142	26.1
98.97579	53.7
99.03867	19.4
100.08743	21.4
102.99174	23.1
106.49920	19.7
116.98608	47.7
127.60073	20.8
136.85603	21.0
172.97614	63.1
190.98640	39.4
218.98100	25.7
232.99687	93.4
251.00818	31.1
275.01678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21574	2.5
56.96556	9.5
57.03428	7.0
58.06577	3.7
60.05639	5.3
67.05502	3.7
69.07050	6.3
70.06593	23.0
71.04980	11.2
71.08157	4.5
72.08161	26.9
79.05479	3.1
81.07059	6.9
84.08166	21.1
86.09715	72.6
87.10045	11.9
91.05499	6.0
93.07059	6.6
95.08637	3.1
96.08186	2.7
97.06546	6.1
98.09698	10.0
98.97589	50.5
99.04445	6.9
105.07014	4.2
109.06506	2.9
112.08793	2.8
112.11240	3.0
112.99986	4.0
113.07154	3.4
116.98629	25.9
129.10269	3.1
133.10110	5.8
134.99615	4.3
139.17755	2.7
147.04388	4.4
157.13364	31.0
158.13722	12.3
172.94337	4.1
175.11891	8.1
177.00607	3.3
185.12849	13.3
186.13231	4.3
193.12393	4.0
204.10146	4.4
238.18008	4.8
256.19043	18.7
256.96506	9.3
257.02664	20.3
257.19431	9.1
274.20248	100.0
274.97528	45.5
275.00626	4.0
275.03873	20.5
275.11041	53.1
275.13913	5.8
275.17465	4.0
275.20557	45.1
276.21490	2.7
292.98596	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	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.2
58.62408	0.3
59.91214	0.3
61.73366	0.4
65.36247	0.4
67.05509	0.4
70.06585	0.9
70.95855	0.5
71.14841	0.4
72.08167	0.7
74.42155	0.3
75.97845	0.4
84.04498	0.4
84.08145	3.3
86.09702	1.2
98.97588	8.5
99.61036	0.3
101.00900	0.7
108.08560	0.3
108.98920	0.3
116.98631	3.4
117.79129	0.4
119.01884	0.5
129.10242	0.9
130.08620	0.4
134.95868	0.4
134.99673	0.7
143.11778	0.9
145.03464	0.4
147.04346	0.5
175.11978	0.4
204.10390	0.4
232.96518	0.6
232.99701	0.6
251.00749	0.4
256.96530	1.3
274.97488	6.8
275.11014	100.0
275.20834	1.8
276.11252	2.2
292.98511	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	275.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05515	6.5
56.96571	1.1
57.03444	1.7
57.07071	2.6
57.92806	0.9
61.58722	1.0
63.48304	1.1
67.05502	10.4
69.07069	9.1
71.44766	0.9
72.23602	0.9
79.05500	12.0
81.07059	16.1
83.04987	1.8
83.08627	3.9
84.08151	1.5
85.06544	2.5
86.09705	1.3
91.05481	15.9
93.07050	14.2
93.33540	1.1
95.04990	2.4
95.08597	14.3
97.06556	1.2
97.10163	1.3
98.06068	1.1
98.97611	4.2
99.08096	1.3
101.05998	1.4
105.07025	18.6
107.04971	2.8
107.08588	13.0
109.06533	2.7
109.10161	9.4
111.08115	2.1
111.11748	1.5
116.98630	3.3
117.07027	4.6
119.08588	14.4
121.06516	1.3
121.10154	9.7
123.08053	1.5
123.11694	2.9
131.08583	4.7
133.10139	11.7
134.99643	1.4
135.11732	4.4
137.09621	3.9
137.13249	1.0
143.08524	1.8
145.10118	5.4
147.11694	7.6
149.09644	4.1
149.13283	8.9
151.14833	1.1
157.10138	2.2
159.11682	5.5
161.09633	1.2
161.13290	3.5
163.11249	2.1
163.14862	3.5
171.11824	0.9
173.13359	2.3
175.11174	1.1
177.16505	1.2
185.13242	1.5
201.12744	1.2
239.17941	1.9
247.20569	1.1
257.19049	4.8
274.97540	2.8
275.16211	100.0
275.20074	44.4
275.24405	2.4
275.27234	10.4
276.16449	4.7
276.20645	1.5
276.25467	1.2
292.98566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.99890	0.9
54.16671	1.1
55.01859	4.1
55.05511	11.8
55.06998	1.0
56.96555	1.0
57.03424	1.4
57.07087	1.0
65.03924	1.5
66.15514	0.9
67.05161	1.5
67.05502	17.3
69.07062	8.3
71.04992	1.4
79.05490	19.8
81.07053	22.0
83.04974	2.3
83.08621	4.6
91.05476	30.4
93.07036	17.5
95.04987	5.1
95.08600	11.5
96.80366	1.0
97.06526	4.8
97.10165	2.2
98.97586	6.7
103.05443	1.3
105.04506	1.0
105.07024	50.9
107.04955	3.9
107.08584	16.8
109.06505	3.8
109.10166	6.0
111.08076	1.6
115.05573	1.2
116.98615	3.8
117.07005	8.6
119.08574	29.2
121.06493	2.7
121.10149	6.5
123.08060	2.1
123.11679	1.4
125.09641	1.3
129.07010	2.2
131.08563	13.2
133.06528	1.2
133.10126	33.2
134.99670	2.2
135.08022	3.4
135.11687	3.2
137.09593	4.4
140.32118	0.9
143.08583	2.0
145.10114	13.7
147.07968	1.3
147.11674	21.6
149.09656	6.8
149.13266	1.3
151.11165	3.3
157.10103	3.5
159.11687	7.8
161.13269	4.5
163.11166	4.4
163.40517	1.1
165.12711	1.4
169.10129	2.0
171.11658	4.1
173.13225	5.9
175.11179	1.6
177.12752	2.2
183.11703	2.2
197.13235	2.9
213.16345	1.2
215.18060	1.4
221.48085	0.9
221.50307	0.9
229.19490	3.3
239.17967	4.7
247.20547	2.9
257.18988	10.8
274.97455	3.3
275.20050	100.0
276.20435	2.8
292.98578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	16.8
55.02140	0.9
55.05511	17.2
57.03436	2.6
57.07066	1.0
59.05005	0.5
65.03940	1.5
67.05503	23.6
69.03438	0.6
69.07066	16.1
71.05002	2.4
71.24081	0.4
77.03917	0.9
79.05490	24.9
81.03021	0.5
81.03400	2.7
81.07053	42.4
83.04980	3.5
83.08606	5.6
85.06544	1.1
88.11983	0.4
91.05477	52.5
93.07044	22.8
93.07499	0.4
93.07662	0.5
95.01329	2.1
95.04407	0.6
95.04970	6.0
95.08607	16.4
95.63537	0.5
97.06529	24.8
97.10169	2.6
98.23602	0.4
98.52788	0.5
99.08097	0.6
103.05470	2.1
105.04529	1.4
105.07026	92.0
106.07315	1.3
107.04948	7.7
107.08582	13.1
108.89397	0.5
109.06519	6.0
109.10142	5.8
111.08071	1.0
115.05463	1.3
117.07011	12.2
118.07821	0.7
119.08580	41.3
120.08869	0.9
121.06502	2.4
121.10138	7.9
123.08076	3.2
123.11687	2.2
125.09616	2.1
127.07529	0.7
129.06976	2.5
130.07823	1.0
131.08563	20.0
133.10124	57.3
134.10521	1.3
135.08023	2.8
135.11685	3.7
137.09625	1.8
139.07558	0.8
141.06949	0.9
143.08591	2.7
145.06456	0.5
145.10114	15.4
147.08038	1.2
147.11674	21.5
149.09622	4.5
149.13237	2.2
151.11180	2.4
155.08478	1.0
157.10155	3.0
159.11682	7.3
161.09657	1.5
161.13237	3.8
163.11154	3.2
163.14700	0.6
165.09140	2.4
165.12807	0.8
169.10138	1.4
171.11694	1.9
173.09607	0.7
173.13283	3.1
175.11171	1.1
175.14810	0.9
177.12730	1.6
179.14308	3.2
183.11671	2.0
185.13243	1.3
187.11145	1.3
187.14815	0.8
191.14270	0.8
193.12366	0.9
197.13242	2.2
201.12723	0.9
201.16380	1.0
203.14388	1.1
205.12238	0.7
211.14865	0.4
213.16254	0.5
215.14317	0.5
215.17899	0.6
219.13919	0.7
219.17432	7.9
229.19475	1.4
239.18004	3.1
247.16890	1.3
247.20573	2.4
257.18973	7.1
275.20047	100.0
275.27826	1.7
276.20374	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	276.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.4
55.93533	3.3
56.05027	14.1
56.96569	7.4
57.02529	3.2
58.06594	33.4
60.04520	9.4
60.05639	4.3
67.05486	5.8
69.03426	6.5
69.39803	2.9
70.06605	16.8
70.15988	4.3
70.16322	5.4
72.08154	7.2
79.05501	3.4
81.07062	28.4
84.04496	5.4
84.08133	23.8
85.02892	6.2
86.09707	18.1
88.07626	8.5
92.96896	3.1
93.07066	4.7
95.08588	26.6
98.97589	18.4
99.08157	3.9
99.97934	4.0
107.08511	3.2
110.09697	13.9
113.02357	8.9
116.98615	7.6
117.06649	4.7
121.10155	6.2
123.08076	4.4
129.10251	5.2
131.08595	5.4
132.10222	9.5
134.99742	4.1
136.93076	5.5
139.11185	3.8
145.06070	4.9
151.07568	3.7
152.14348	6.0
154.94176	5.6
158.09293	5.2
163.11224	3.8
164.02296	4.6
170.15404	26.1
172.95250	8.9
175.11961	3.8
198.14822	4.7
209.11728	8.1
240.15906	20.1
252.96111	5.4
258.14587	5.9
258.17004	83.0
275.97574	8.7
276.07498	16.7
276.18179	100.0
277.18384	5.1
293.98822	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	277.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98665	0.4
55.90425	0.4
56.96564	8.6
70.61965	0.9
70.95814	0.4
71.95264	0.6
79.13486	0.4
81.07047	0.4
89.84035	0.4
98.97583	100.0
99.97885	0.6
100.97190	0.4
105.70766	0.4
116.98621	54.9
119.01978	0.7
134.99654	18.8
140.00211	0.9
149.02298	0.5
149.60730	0.3
151.04805	0.4
153.00725	1.5
158.01241	0.7
161.02986	0.4
163.03922	0.9
177.00940	0.6
179.00732	1.2
192.94873	0.5
205.02315	1.5
210.95903	0.7
216.98697	0.7
219.01973	1.0
221.01732	0.5
226.14716	0.4
234.95969	1.1
234.99774	1.0
240.98615	6.1
244.31789	0.4
247.03548	0.3
252.97011	1.4
258.99759	75.1
259.99905	2.9
267.95544	0.4
274.05942	0.4
276.97537	3.8
277.00809	85.8
277.04117	2.7
278.00974	3.5
279.01047	0.5
282.01392	1.6
294.98114	1.9
295.01913	0.6
295.05667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
66.78673	8.4
70.06583	15.6
70.37563	15.5
97.02901	30.8
103.00603	14.1
103.32047	9.0
103.36480	9.4
121.01693	21.9
152.80634	10.0
258.17175	13.9
263.25223	8.3
266.38623	9.3
277.03275	100.0
277.10834	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87060	28.3
82.05540	8.3
82.38676	8.6
88.64909	8.8
108.55476	8.8
119.57278	8.4
164.07547	9.1
184.75676	8.5
213.83882	9.6
277.03232	100.0
277.06778	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1048
Annotation	Triphenylsilanol
Peak:m/z	Relative Intensity
61.52705	0.5
64.21372	0.6
68.05724	0.6
69.25082	0.6
69.45002	3.1
71.16148	0.6
76.15380	0.6
98.97565	0.9
103.05460	1.8
116.98598	0.7
131.04945	0.8
149.02385	1.5
165.93614	0.6
202.06053	2.9
202.07657	1.5
203.06770	0.7
203.08517	0.9
206.94470	0.6
231.08002	1.2
249.09016	1.0
259.07492	0.9
277.10498	100.0
278.10800	2.1
299.06458	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	277.166
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.05519	0.6
56.05029	0.3
57.09703	0.2
60.05651	3.2
69.48321	1.2
70.06591	1.1
72.08153	10.3
73.08470	0.3
79.05489	0.3
81.07053	0.4
81.74297	0.3
84.08139	0.6
86.09699	1.0
89.10786	1.5
91.05472	3.9
94.20762	0.3
97.07661	2.2
98.06041	0.6
98.09714	0.3
98.97575	0.3
99.10044	0.4
110.07167	0.3
114.10291	19.1
115.08686	2.4
116.98669	0.5
119.04938	18.1
120.08109	0.7
131.12932	3.8
136.07574	1.7
146.06015	0.7
147.04404	100.0
148.04744	2.1
149.02347	0.7
157.10857	0.6
158.09021	0.3
160.95502	0.3
188.07068	0.5
189.07416	1.9
205.09723	0.3
206.10069	0.8
217.13358	3.6
218.11763	4.1
235.14459	0.7
249.16090	0.3
259.11276	0.6
259.21188	0.6
260.13940	7.6
277.16589	56.9
277.20868	4.6
278.16888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.16762	0.4
53.03933	1.0
55.01616	0.8
55.01868	10.2
55.05506	4.8
57.07074	2.7
58.07402	0.6
66.54201	0.4
67.05505	6.7
69.03426	0.6
69.07067	3.6
70.06578	1.3
71.04983	0.5
71.06924	0.8
71.08620	0.5
71.45019	0.6
73.92272	0.4
76.89466	0.4
79.05493	8.6
81.07055	38.0
82.86287	0.4
83.04974	2.1
83.08617	2.0
85.06531	0.5
88.07623	1.8
89.07954	1.1
91.05465	4.2
93.07047	7.0
94.01575	0.4
95.04958	1.3
95.08608	6.3
97.06524	1.2
102.09210	0.5
105.07030	3.7
106.08693	0.4
107.08562	5.4
108.09079	0.5
109.06517	15.1
109.10154	3.0
111.04436	11.0
111.08060	0.9
117.07046	0.5
119.08578	4.2
121.10139	5.7
123.08054	1.7
123.11707	1.7
124.83121	0.4
125.05994	3.4
125.09590	0.8
131.07629	0.4
131.08557	1.8
133.06505	0.5
133.10121	4.1
135.08051	2.1
135.11682	4.9
137.05974	100.0
137.13260	1.7
138.06320	1.5
139.07504	0.6
143.08565	1.1
145.10133	1.0
147.08040	1.3
147.11688	5.0
149.02357	1.2
149.09616	3.6
149.13239	2.8
149.57195	0.5
151.07550	2.2
157.10115	1.7
159.08034	0.4
159.11664	0.7
161.09639	4.0
161.13254	1.9
163.11147	2.5
163.14821	1.4
164.37222	0.5
165.09135	1.8
165.12764	0.7
167.10675	0.7
171.11708	0.7
171.13789	0.6
173.13223	0.6
175.11159	4.3
175.14816	0.9
177.09076	0.4
179.10716	1.7
181.12268	0.5
189.12735	0.8
193.12271	0.8
203.14185	0.5
203.17928	5.3
207.80299	0.4
213.16414	2.2
221.18896	2.0
223.14734	0.7
231.17404	7.3
241.15842	1.1
249.18515	5.8
258.26984	1.0
259.27335	0.5
276.28021	11.8
277.17978	10.9
277.21576	7.3
277.28253	11.4
295.19031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02389	0.8
52.03167	0.5
53.03938	1.9
55.01861	1.2
55.05513	16.9
57.07080	3.2
59.05012	0.8
65.03934	1.6
67.05505	27.8
69.03437	0.7
69.07068	15.8
69.32361	3.1
71.04996	2.1
71.08623	0.8
77.03927	2.7
79.05495	72.0
80.05846	0.7
81.07058	35.4
82.07404	0.9
83.04987	2.6
83.08627	7.3
85.06533	1.5
88.07642	0.9
91.05482	25.0
93.07046	100.0
94.07388	1.6
95.04971	8.7
95.08607	22.5
97.06522	2.3
97.10170	3.8
98.22729	1.4
99.08076	0.7
105.04543	3.5
105.07032	14.5
106.07386	0.8
107.08593	48.9
108.08966	0.7
109.06507	4.0
109.10153	11.0
109.30816	0.6
111.08088	0.9
113.06051	0.8
117.07036	3.1
119.08580	10.2
121.06483	1.5
121.10146	45.2
122.10425	1.0
123.08057	1.7
123.11696	3.2
125.09662	0.8
129.07005	1.7
131.08589	3.4
133.10129	12.2
135.11693	43.0
136.11983	1.1
137.09671	0.7
143.08546	1.9
145.10141	3.8
147.11679	7.0
149.09650	1.1
149.13255	18.6
151.11269	0.7
153.09116	0.8
157.10214	1.3
159.11682	3.4
161.09734	0.8
161.13246	4.1
163.08752	0.6
163.11217	1.2
163.14836	4.3
165.12796	0.9
167.10677	0.8
171.11708	2.3
173.13260	2.2
175.11150	0.9
175.14856	1.9
177.12720	1.2
177.16379	0.7
181.12253	0.6
185.13264	2.5
189.12769	0.9
193.12302	0.9
195.13777	1.4
199.14842	2.3
203.14343	0.8
207.13820	2.6
213.16389	0.9
221.15359	3.2
231.17422	0.7
235.16960	2.9
241.19492	2.0
259.20572	4.4
277.21631	76.2
277.28088	8.2
278.22025	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03933	2.7
55.01873	10.4
55.05260	1.2
55.05510	21.0
57.03410	1.9
57.07060	3.3
65.03925	1.1
67.05502	37.4
68.89427	0.7
69.03400	0.8
69.07067	14.0
69.59452	1.2
69.59835	1.7
71.04991	3.4
71.08625	16.8
77.03922	2.0
79.05489	39.1
81.03410	4.2
81.07053	38.2
83.04980	4.3
83.08611	9.2
85.06528	1.9
85.10158	1.6
89.71066	0.9
91.05479	24.9
91.64445	0.6
93.07042	55.3
95.04970	10.4
95.08605	24.7
97.06540	6.5
97.10167	4.2
98.23376	1.4
98.97578	1.5
99.08081	12.8
105.04512	1.7
105.07027	17.3
107.04939	3.9
107.08588	28.9
108.08916	0.7
109.06517	4.6
109.10147	9.4
111.08096	8.7
113.09613	1.0
117.07004	5.7
119.06012	1.0
119.08583	12.2
121.06480	2.5
121.10133	16.7
123.08073	4.2
123.11692	4.0
125.09629	2.0
127.11202	0.9
129.06996	3.3
131.08563	5.7
133.06493	0.8
133.10123	12.6
134.99609	1.0
135.07996	2.0
135.11682	19.0
137.09601	2.6
137.13235	1.6
139.11172	2.0
141.12729	2.7
143.08537	2.8
145.10133	6.6
147.08000	1.5
147.11673	10.7
149.02338	2.0
149.09567	1.8
149.13251	9.7
151.11180	11.0
153.12732	1.9
157.10133	2.4
159.11671	3.1
161.09641	0.9
161.13248	11.5
163.11168	12.7
163.14819	5.2
165.12761	4.0
167.10672	1.4
171.11716	4.5
173.11821	0.8
173.13263	2.2
175.11180	1.7
175.14816	3.7
177.12724	1.5
177.16428	0.9
179.14276	6.6
181.12177	1.1
185.13272	2.6
189.12755	2.1
189.16365	0.7
193.12213	1.4
193.15894	1.8
195.13811	1.1
199.14783	1.5
203.14372	1.3
207.13713	2.4
217.19508	1.5
221.15388	2.5
231.21049	2.6
235.16833	1.1
241.19458	4.8
249.22124	3.3
259.20541	12.2
274.54321	0.8
277.21613	100.0
278.21887	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	278.952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	10.9
70.23344	5.2
77.77490	2.3
80.59203	2.2
90.47038	2.5
121.02900	2.8
136.94023	100.0
149.02339	92.7
196.86795	23.2
220.05400	15.4
237.08231	21.4
238.06407	6.3
278.95221	3.1
279.09167	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	279.1705
Annotation	Leu Phe
Peak:m/z	Relative Intensity
50.02675	0.1
56.05023	0.4
57.05812	0.4
57.07077	1.5
58.06614	0.3
65.03944	0.2
69.07068	11.2
70.07397	0.1
71.09967	0.1
71.85188	0.1
79.01355	0.1
86.09707	100.0
87.09538	0.2
87.10011	1.0
103.05478	0.3
104.03351	0.1
107.04976	0.1
120.08102	9.0
121.02888	0.5
121.03874	0.1
149.02341	12.0
150.02710	0.2
166.08636	5.6
189.48398	0.1
233.16512	0.3
279.03851	0.1
279.06409	0.6
279.17038	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	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90680	0.2
57.05819	0.4
57.07072	1.6
58.06609	0.3
58.74323	0.3
68.78914	0.2
69.06707	0.5
69.07071	10.5
70.45781	0.6
86.09710	100.0
87.10065	1.0
102.74919	0.2
114.20137	0.3
118.40377	0.3
120.08109	8.1
121.02888	0.5
149.02347	10.7
161.85771	0.3
166.08646	5.5
166.10019	0.3
174.72340	0.3
218.97650	0.3
233.16553	0.6
245.87920	0.3
279.06573	0.9
279.17068	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	279.1706
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07059	0.6
59.96319	0.3
69.07073	0.7
70.17210	0.7
86.09707	100.0
87.10046	1.2
101.93808	0.3
103.05492	0.9
115.68422	0.3
120.08104	22.6
121.08440	0.3
128.26573	0.3
138.27144	0.3
145.92810	0.3
149.02350	4.7
166.08641	9.9
188.60121	0.3
199.16858	0.3
233.16530	1.0
279.17035	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	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03944	0.8
55.05262	0.9
55.05514	14.2
57.05807	1.2
57.07075	13.5
60.19754	0.6
67.05511	0.7
68.48186	0.6
69.07060	0.7
69.78410	2.2
69.78752	0.8
70.06580	0.9
72.08157	74.2
81.03419	0.7
86.09715	18.6
89.63892	0.7
91.05502	1.1
93.07043	1.0
95.04924	0.7
98.97583	2.0
103.05477	2.1
116.98620	1.3
120.08105	88.4
121.02866	4.1
121.03998	0.9
121.06506	3.0
121.08432	1.1
131.04927	1.1
132.10191	1.7
135.08073	0.7
142.54166	0.7
149.02342	100.0
150.02692	1.8
158.99683	0.9
163.07533	2.2
166.08662	1.8
167.03407	0.9
177.00626	1.2
180.10191	62.4
181.10510	1.4
182.08112	2.7
183.08606	0.8
205.08566	1.7
219.14969	1.1
235.89717	0.8
255.98238	0.7
279.06635	3.5
279.17050	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03940	1.1
55.01871	0.7
55.05508	8.8
56.96553	0.4
57.03435	0.8
57.07079	4.0
65.03936	3.0
67.05503	98.5
68.05834	0.7
69.03421	0.5
69.07063	9.5
71.04995	1.4
71.08616	0.5
71.82426	0.4
74.01841	0.5
79.05491	11.7
81.07056	100.0
82.07408	1.0
83.04974	1.1
83.08625	6.2
85.06561	1.0
86.09712	1.0
87.04470	0.5
91.05483	4.1
93.07043	11.7
95.04970	0.5
95.08604	83.7
96.08918	0.9
97.06542	1.8
97.10162	2.9
99.08098	1.0
101.06008	0.6
105.07007	2.5
107.08585	7.7
109.06512	1.2
109.10156	50.3
110.10504	0.8
111.08060	0.7
111.11723	0.9
117.06998	1.3
119.08569	3.0
121.02918	0.5
121.10143	6.6
123.08076	1.8
123.11704	27.1
124.12050	0.5
124.99975	0.8
125.09616	0.7
127.07575	0.6
131.00249	0.4
131.08572	3.1
133.10136	2.5
135.08075	0.7
135.11705	3.9
137.09590	1.3
137.13252	10.5
138.53018	0.9
139.11153	0.6
143.08727	0.5
144.81305	0.4
145.10136	3.8
147.11693	1.8
149.02342	15.5
149.09595	1.4
149.13237	3.0
151.11137	1.3
151.14796	2.9
153.09082	0.7
157.53723	1.1
159.11700	1.9
161.13249	2.0
163.11169	1.9
163.14795	1.8
165.12781	0.8
165.16415	1.0
167.10699	0.8
173.13297	3.4
175.14801	0.7
177.12730	1.7
177.16399	1.3
179.14299	1.1
181.12161	2.2
184.07385	1.2
187.14835	2.7
191.14326	1.4
195.13773	2.4
205.15816	1.1
209.15405	2.5
214.54150	0.4
219.05652	0.7
219.20990	0.7
223.17007	3.0
237.18535	1.4
240.10013	1.5
243.21140	2.3
245.35350	0.4
261.22150	5.4
275.28568	0.5
279.09323	0.9
279.23175	58.4
279.64761	1.1
280.23587	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	280.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83306	1.3
53.03923	1.6
55.01865	3.8
56.26226	1.7
56.73339	1.6
57.07069	7.5
58.07402	3.9
58.99593	16.3
61.27559	1.4
62.07069	1.4
65.03934	14.8
66.03461	4.1
68.98003	1.5
68.99790	2.3
70.99595	2.2
76.86087	1.4
79.05497	10.5
81.03436	1.4
82.99569	33.8
84.08155	1.6
84.72655	1.8
86.00613	1.5
86.09697	1.7
86.99036	8.4
88.03988	3.7
90.19193	1.4
91.05480	56.6
95.01315	6.1
95.04966	3.0
97.01121	7.1
102.04700	3.4
103.05466	10.4
105.00082	6.8
105.05753	1.8
105.07064	2.8
109.01125	1.7
111.02675	1.6
111.04420	1.5
115.05466	7.3
117.05739	4.8
117.07009	3.1
118.06514	3.3
120.08104	1.8
121.01082	3.2
121.02886	3.4
122.03174	3.6
123.01430	1.7
123.01761	1.9
123.02662	20.8
124.02190	12.8
125.00549	2.0
128.06233	10.8
128.21677	1.3
129.06995	7.9
130.06523	13.2
131.04932	2.7
131.07268	3.5
132.08128	2.6
133.05223	4.5
134.01878	10.4
135.02631	29.0
135.03575	2.5
138.03728	1.8
139.02139	3.2
141.05682	1.9
143.07336	1.7
144.08057	3.9
147.02617	14.3
148.02182	1.7
148.03348	2.0
149.00511	1.7
149.02313	43.6
149.04144	3.2
150.02678	42.3
150.03726	3.4
151.02026	3.9
152.01660	8.9
154.06508	6.5
155.06085	1.8
155.07268	15.9
156.08112	8.8
157.08965	1.9
161.04216	6.6
162.03723	4.4
162.05374	1.4
163.02127	60.8
165.03635	2.1
169.03218	3.4
170.02782	5.9
170.06023	2.7
171.02654	12.8
173.02946	14.6
173.04274	4.6
174.03741	9.2
175.02124	2.7
175.04497	1.9
176.07057	11.2
177.05432	1.7
179.05806	2.7
182.06076	2.2
183.06786	8.3
184.07614	7.5
188.05318	16.0
189.03700	3.4
189.06038	2.8
190.03134	2.0
190.06889	5.3
191.01593	7.4
193.03168	2.4
194.02748	1.9
200.07118	2.7
201.07744	2.4
214.01813	1.6
216.04774	37.7
217.03178	5.0
234.05827	31.8
244.04298	3.4
262.05334	6.7
263.03671	9.6
280.06378	100.0
280.18787	7.9
280.21988	1.3
281.06763	3.2
281.09897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1294
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
56.05036	3.3
56.96564	1.6
57.07070	10.7
58.07407	1.9
60.04523	1.9
61.01149	1.2
62.98263	9.0
64.33519	1.1
65.33063	1.2
69.94438	2.6
69.94793	1.5
70.02955	19.8
70.06599	5.6
72.08150	4.8
79.05512	2.3
84.08157	8.3
86.09718	1.7
87.05596	62.7
87.63022	1.1
88.04004	2.0
91.05480	100.0
98.02421	4.8
98.22799	1.4
98.97586	11.7
99.97907	2.8
102.97731	2.6
103.05468	33.7
104.05354	3.1
104.99270	1.6
105.07072	1.3
107.04950	8.6
107.41624	1.1
110.97597	2.1
116.07066	1.7
116.98646	5.3
117.98936	1.3
120.08107	94.7
120.98714	1.5
121.02867	2.9
121.06542	1.4
121.08527	1.4
123.07965	1.8
128.98625	2.2
129.07001	5.8
129.10239	3.3
130.06526	14.9
131.04930	15.3
135.00356	13.8
136.07588	9.0
144.08067	5.9
144.23940	1.1
145.06491	4.0
146.99634	1.7
147.09166	7.1
149.02342	46.3
149.06013	4.9
150.02687	44.5
152.73759	1.4
154.06535	4.7
157.06477	13.6
157.07625	1.3
158.05971	1.4
158.99687	1.7
160.00023	3.5
165.01343	14.7
166.08640	33.6
172.07562	25.2
175.08670	73.8
176.09084	1.3
177.00726	3.0
178.01094	3.0
178.99289	1.4
182.06030	28.0
189.10226	1.7
190.01128	3.8
193.04385	1.5
200.07066	96.5
201.07462	2.4
203.08224	5.4
217.09703	8.5
221.09207	53.3
222.09552	2.0
228.06578	5.2
234.12376	15.8
235.10614	1.5
245.09215	14.5
246.07635	79.5
247.07959	2.3
254.61662	1.1
262.11938	4.6
263.10281	34.2
264.10748	1.4
280.04245	1.4
280.12915	7.5
280.15793	4.3
281.11002	2.0
281.14966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06940	1.9
55.05513	16.7
57.07077	7.4
58.06599	4.4
61.02805	1.8
65.03951	1.9
65.68336	1.9
67.05506	52.4
69.07064	10.8
70.06586	24.0
79.05497	20.5
81.07056	39.4
83.08625	3.8
85.76993	1.8
90.57074	2.1
91.05462	12.5
93.07049	17.4
95.04978	2.5
95.08609	33.4
96.08110	2.7
96.08939	2.4
104.99274	6.7
105.07041	10.1
107.08582	9.3
109.10145	12.8
119.08575	6.5
121.10160	6.1
122.10490	2.0
123.11674	4.6
125.23489	2.1
126.59671	1.9
128.41118	2.2
133.10139	6.8
135.11713	6.4
136.11935	1.9
147.11604	2.7
149.02330	22.3
149.13216	3.0
150.02690	21.9
256.95926	1.9
262.25293	100.0
263.25647	3.3
280.18741	2.0
280.23291	6.3
280.26306	59.3
281.26578	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	281.1498
Annotation	L-tyrosyl-L-valine
Peak:m/z	Relative Intensity
55.05519	1.4
56.96561	0.5
62.98256	0.2
69.71432	0.6
69.71764	0.2
70.06579	0.3
72.08157	10.7
73.08478	0.3
74.06079	0.2
76.78098	0.2
84.08145	0.8
85.02911	0.6
85.06551	0.4
86.09709	0.2
88.03989	0.2
91.05482	22.4
92.05827	0.3
98.06065	0.5
98.97579	1.9
103.07574	0.5
107.04955	0.8
109.06524	0.5
116.07075	1.5
116.98608	1.2
118.06548	0.8
118.08662	1.5
119.04942	16.8
120.08106	1.4
121.06504	2.6
121.08418	0.3
127.03902	0.3
134.99669	0.5
136.07576	100.0
137.07927	1.7
141.26410	0.2
145.04980	0.3
147.04431	0.7
150.02690	0.5
150.07765	1.4
151.02902	0.3
158.99626	0.3
163.04021	0.3
165.05469	0.3
169.05829	0.3
182.08110	0.7
190.12254	0.3
211.26726	0.2
215.13908	0.3
218.11815	0.2
235.14421	3.0
236.12794	0.8
258.99799	0.7
259.09650	0.3
263.14160	0.3
264.12326	1.6
277.00873	1.1
277.10715	0.6
281.14948	8.3
282.14294	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	84.9
61.02919	5.3
63.04490	45.7
65.67133	4.6
69.03436	12.4
69.07069	5.8
71.43809	4.7
71.68456	4.4
85.02911	40.0
86.09241	4.8
86.09687	25.1
87.10030	7.7
97.02846	4.7
98.97605	6.6
117.59367	4.7
119.10699	100.0
120.08131	5.6
122.06124	4.3
127.03967	4.8
133.57626	4.5
145.04944	4.8
147.09207	19.3
151.02881	5.2
209.45448	4.9
264.15961	16.1
281.07889	7.0
281.14914	29.4
281.17844	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.20116	1.3
53.03928	4.7
55.01865	4.2
55.05267	2.1
55.05514	31.9
56.96564	1.4
57.03438	35.0
57.07060	2.9
59.04993	1.5
65.03928	6.0
65.26721	1.2
67.05505	99.7
69.07071	21.5
71.04977	3.9
77.03900	1.9
79.05492	100.0
80.05791	1.6
81.03410	11.9
81.07056	67.9
83.04977	38.7
83.08612	11.4
83.28684	1.3
85.02924	1.9
85.06528	4.4
91.05478	66.6
92.05811	2.2
93.07043	85.8
94.07405	1.8
95.04978	32.9
95.08023	2.3
95.08604	41.9
97.06527	6.4
97.10173	6.0
98.97576	17.4
99.04440	1.9
99.08123	1.6
103.05470	2.9
104.99262	5.1
105.04488	5.1
105.07030	52.9
107.04939	5.5
107.08593	19.4
109.06514	9.1
109.10137	9.0
111.08060	1.4
113.09664	1.8
115.05453	3.1
116.98621	11.8
117.07005	13.3
119.08578	30.9
121.06524	2.8
121.10127	3.5
123.08082	9.4
127.07610	1.6
128.06201	3.9
129.06995	20.4
131.08539	5.1
133.10121	13.3
134.99651	3.6
135.08017	2.3
135.11697	2.1
139.07396	1.6
141.09062	1.7
143.08582	12.0
145.10081	12.6
147.08032	3.2
147.11684	49.8
148.12080	2.6
149.02347	3.0
150.02641	2.3
151.02750	1.7
156.09311	1.7
159.11668	1.5
161.09605	6.5
161.13248	17.0
163.11172	1.9
171.11687	32.7
172.12000	1.9
189.12723	14.8
207.13757	17.6
234.92149	1.7
240.35121	1.3
240.98653	1.7
258.99744	8.8
269.20010	1.3
274.44479	1.5
277.00745	11.8
281.10764	1.9
281.17444	53.5
282.17651	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62070	1.8
53.03944	5.9
55.01865	6.3
55.05513	32.4
56.54067	1.6
56.96572	3.1
57.03439	36.2
57.07059	2.2
59.05002	1.8
65.03943	5.1
67.05505	79.6
69.03426	2.3
69.07059	17.9
69.43596	4.6
69.43976	3.6
71.04983	6.4
73.06581	3.6
77.03919	3.5
78.56757	2.1
79.05498	100.0
81.03413	14.4
81.07057	63.2
83.04978	32.8
83.08627	11.1
85.06528	5.1
91.05483	68.7
93.07045	75.2
95.04971	34.4
95.08609	40.2
96.08922	2.0
97.06523	8.0
97.10160	3.2
98.22693	3.0
98.97590	21.7
99.08092	3.2
104.99279	8.2
105.04502	4.3
105.07033	51.2
107.04958	6.7
107.08599	17.7
109.06532	10.6
109.10167	10.4
111.08095	2.6
116.98626	14.3
117.07032	13.2
119.08582	33.9
121.06488	2.9
121.10164	5.2
123.08051	11.7
128.06226	4.4
129.07010	22.3
131.08603	3.1
133.10123	14.3
134.99675	6.9
135.08185	1.8
135.11696	3.7
143.08575	11.3
145.10098	11.8
147.08022	3.0
147.11687	48.4
150.02614	2.3
151.11028	1.8
156.09360	2.4
161.09645	4.9
161.13275	19.7
163.11079	2.9
171.11705	37.8
189.12773	12.5
207.13802	18.5
234.92105	2.2
258.99777	15.5
270.87967	1.8
277.00845	19.1
281.17450	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1901
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.01868	1.1
55.05502	3.5
56.96559	0.8
57.07064	2.0
67.05505	4.6
69.03415	1.9
69.07064	3.1
70.07377	1.1
70.21698	0.9
71.08613	1.0
71.46736	1.3
71.48380	0.9
79.05482	3.5
81.07051	7.1
83.04999	1.1
83.08604	2.0
85.06545	1.3
91.05469	7.9
93.07034	5.2
95.04967	36.5
95.08606	4.4
97.10159	1.5
98.97565	5.3
104.99265	3.9
105.07034	7.4
107.05017	1.1
107.08575	4.8
109.06540	4.7
109.10146	2.4
115.05416	1.3
116.98626	5.7
117.07018	2.5
119.08588	6.5
121.06499	9.6
121.10130	2.1
124.79668	0.9
128.06252	1.1
129.06984	3.0
131.08559	18.6
133.06502	3.5
133.10144	5.4
134.96902	0.9
134.99614	1.7
135.08060	23.0
137.05962	2.8
139.37398	0.9
141.06961	1.3
142.07799	1.0
143.08539	5.0
145.10127	4.6
147.08012	1.9
147.11716	1.5
149.09651	1.8
151.02969	0.8
155.08542	2.0
156.09320	1.5
157.10117	5.7
158.10933	5.0
159.08061	1.7
159.11700	1.3
161.09645	3.8
161.13319	1.1
169.10118	3.6
171.11702	1.6
173.13268	18.0
175.11235	1.3
181.10114	3.1
182.10936	2.5
183.11687	2.6
185.09497	1.1
185.13275	1.5
187.11099	1.3
187.86501	0.9
189.12677	0.9
192.09259	1.2
193.10135	3.2
195.11694	2.0
197.09656	1.5
197.13289	4.7
206.10828	1.1
207.11658	5.6
208.12503	2.3
209.13339	1.8
210.10544	0.9
211.11157	1.8
213.12679	1.2
221.13234	2.7
223.11302	1.6
223.14832	3.4
225.12766	6.9
234.13895	0.9
234.92149	1.0
239.14183	1.5
248.15575	1.4
249.16362	2.9
251.14415	5.9
258.99765	5.0
263.17923	4.2
266.16623	2.1
267.17374	2.9
277.00888	5.5
281.19006	100.0
281.26556	7.0
282.19559	10.1
282.27914	1.2
300.02356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17066	2.7
56.96567	9.1
57.07066	2.7
71.45042	3.3
83.33054	2.9
85.02897	6.2
94.86483	2.7
98.97581	100.0
104.99245	3.6
116.98622	63.5
118.57194	2.9
134.47974	2.9
134.99667	32.7
149.02313	3.7
150.02678	7.5
151.02811	6.7
153.00719	4.2
155.99394	3.4
163.48433	3.1
200.20071	3.2
240.90746	3.2
258.97241	5.1
258.99789	57.5
277.00800	80.6
282.01053	2.9
282.22247	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76031	0.5
56.96566	11.4
61.07775	0.6
72.08131	0.6
77.60165	0.5
85.02883	1.4
97.26124	0.5
98.38599	0.6
98.97582	100.0
116.98624	70.6
116.99251	1.3
120.18736	0.5
127.03965	0.7
134.99660	30.8
136.06131	0.6
136.07643	0.7
140.00200	1.2
145.04965	0.7
149.02350	0.8
150.02692	0.8
150.07750	16.0
151.02800	0.7
152.06865	2.5
153.00719	4.0
158.01306	0.9
174.83087	0.5
181.57820	0.5
209.93765	0.7
234.99695	0.7
235.91586	0.8
240.98610	5.5
258.99765	63.4
259.99973	1.9
277.00815	86.5
278.00952	3.4
282.01282	1.7
282.11838	1.4
282.16989	0.6
282.22073	1.0
295.01782	1.1
296.67426	0.6
300.02307	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1201
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
50.00491	0.3
55.01878	0.7
56.96560	1.1
57.03429	1.2
61.02911	0.3
69.03426	1.0
70.06580	0.8
71.01356	0.5
72.08146	0.9
73.02911	0.6
81.07079	0.4
84.08141	0.6
85.02905	1.9
85.06493	0.4
86.09705	0.4
88.03996	0.8
89.04339	0.4
89.93999	0.3
91.05485	0.3
92.05827	0.7
94.04074	0.8
97.02897	0.5
98.97586	8.7
103.07575	1.4
110.07169	0.6
116.98629	5.3
120.08104	2.1
121.08463	2.7
123.06634	0.5
133.05000	0.4
134.99670	2.8
136.06197	1.6
137.06557	0.5
145.04973	0.5
148.09520	0.4
150.07756	100.0
151.08188	1.5
153.00752	0.4
163.04407	0.4
163.97731	0.3
166.08643	0.6
167.08983	0.9
169.05916	0.5
189.00731	0.6
201.07391	0.4
225.56863	0.3
236.11020	0.5
258.99789	4.4
277.00824	5.5
278.01080	0.5
282.11951	14.4
282.14413	4.7
282.17081	1.0
282.22202	0.5
282.65582	0.3
283.12076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22623	0.7
55.03160	0.7
55.05512	3.6
56.96569	11.6
57.03442	0.9
58.43630	0.7
59.05003	1.8
61.02922	3.3
62.51027	0.8
67.05482	1.0
69.03422	1.7
69.07093	0.8
70.06578	2.0
72.08161	28.0
73.07855	1.1
73.08494	8.3
81.03419	1.3
84.08164	1.9
85.02465	1.3
85.02915	12.0
85.06043	1.8
85.06549	36.1
91.03925	0.8
91.05495	3.2
92.05814	2.0
97.02888	2.0
98.97588	100.0
99.04410	0.9
99.97948	1.1
103.07587	56.6
104.10760	1.2
107.04994	1.0
109.02901	1.6
110.07074	1.0
116.98629	51.8
119.04937	2.3
120.04473	1.9
120.05267	1.3
120.08105	5.5
121.08470	5.9
127.03908	2.2
134.99660	18.5
136.06227	1.6
136.07585	9.9
137.07939	11.3
145.04993	3.9
150.07759	34.1
151.04767	2.6
151.06017	0.9
152.03197	3.0
153.00726	1.4
160.76248	1.1
163.06070	1.9
167.00020	1.2
169.05846	6.2
180.02705	0.8
182.08134	2.0
183.08456	2.7
194.01184	1.4
204.91588	1.0
240.98659	5.2
253.06883	1.1
258.99765	49.5
259.09668	2.1
259.99985	3.2
277.00824	65.2
277.10791	4.4
278.01041	3.8
282.14328	32.6
282.17722	3.6
282.22311	1.1
300.02460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70633	0.3
55.05260	0.5
55.05514	8.4
56.05029	1.3
56.96551	1.3
57.03430	2.0
58.06598	2.0
67.05502	9.6
69.07069	6.9
70.06593	8.5
71.34379	0.5
72.89353	0.4
74.06090	0.9
79.05489	1.5
80.94845	0.4
81.07057	10.0
83.08622	4.5
84.08146	0.9
85.06545	0.4
91.05492	0.4
93.07046	0.9
95.08605	9.5
95.09213	0.6
97.10123	1.8
98.09693	3.1
98.97577	10.0
104.99255	0.8
107.08619	0.5
109.10149	4.7
115.38457	0.4
116.98621	6.9
123.11720	0.6
134.99654	3.0
153.00761	0.5
188.22456	0.4
236.23718	1.1
240.90636	0.8
240.98721	0.5
254.15939	0.4
258.91882	1.8
258.99744	6.1
264.26862	25.1
265.27316	0.9
277.00830	7.7
282.27908	100.0
283.28235	4.4
300.02438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2792
Annotation	Dodemorph
Peak:m/z	Relative Intensity
55.05511	8.1
56.96553	2.4
57.03431	0.5
58.06594	2.2
66.37938	0.5
67.05505	7.9
69.07067	6.5
69.93321	1.1
70.06593	17.8
70.31023	0.5
70.73268	0.5
73.51115	0.5
75.61709	0.6
79.05485	1.2
79.87319	0.5
80.94846	0.7
81.07059	8.2
83.08620	3.6
84.08143	1.1
85.06535	0.8
93.07047	0.9
95.08099	0.7
95.08614	8.1
97.10168	1.6
98.09695	2.0
98.97583	17.0
104.99276	1.4
109.10162	3.5
116.98626	10.5
134.99643	4.4
140.00168	0.8
153.00682	0.9
173.87184	0.5
182.19081	1.4
240.90396	1.2
258.91687	2.4
258.99802	9.2
259.99969	1.3
264.26871	63.9
265.27109	2.8
277.00797	11.0
278.01053	0.8
282.01147	1.2
282.27914	100.0
283.28207	3.8
286.43408	0.6
300.02441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
52.29076	0.7
52.74179	0.8
53.03944	9.6
55.01875	14.3
55.05519	9.9
57.03440	26.5
57.07073	1.1
65.03935	6.6
67.05505	79.0
68.05824	0.8
69.03420	0.9
69.07069	14.3
70.06583	3.8
71.01355	2.1
71.04988	4.8
73.02913	1.1
77.03916	1.7
79.05496	71.8
81.03421	24.6
81.07058	50.5
82.07382	1.1
83.04982	22.5
83.08616	2.2
85.02891	3.1
85.06547	7.0
86.09699	1.5
91.05479	40.7
93.03410	2.7
93.07045	51.3
95.01334	6.5
95.04970	28.7
95.08611	17.7
97.02924	1.0
97.06532	19.0
98.97559	3.2
99.04435	3.4
103.05431	1.5
105.04527	2.6
105.07023	14.3
107.04958	70.9
107.08601	27.7
109.02877	1.4
109.06530	7.9
109.10148	3.8
110.49380	0.9
111.04446	18.4
111.08099	4.9
113.06028	1.2
115.05459	2.2
116.98624	1.7
117.07020	22.8
119.08588	24.4
121.02886	0.9
121.06522	7.9
121.10147	55.6
123.04453	8.0
123.08067	5.1
125.05995	3.6
128.06203	1.5
129.05478	2.3
129.07011	7.2
130.07811	4.8
131.04961	5.7
131.08557	16.6
132.05698	1.9
133.06500	1.4
133.10132	3.2
135.08078	5.0
135.11697	50.2
137.09648	1.2
139.07512	1.0
143.08571	2.2
144.05661	1.5
145.06503	13.6
145.10124	57.7
147.08099	4.2
147.11713	1.5
149.09612	11.4
153.06981	1.8
153.12743	5.1
154.07796	0.9
155.06059	2.1
155.08554	19.3
158.07239	1.3
163.11182	69.7
164.11563	1.5
165.01836	2.3
165.09026	2.0
173.09624	46.0
181.12248	21.8
183.02841	1.4
191.10680	37.3
195.10164	1.0
209.11751	15.9
210.11984	0.9
227.12773	25.3
237.11241	2.0
247.13364	1.0
265.03592	1.3
265.10632	1.9
265.11203	1.5
265.14355	20.0
278.01361	1.0
283.06201	6.2
283.15393	100.0
284.15720	2.6
284.22296	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01872	3.6
55.05511	10.1
57.03440	10.3
57.07064	0.7
67.05165	1.0
67.05505	17.4
69.03407	1.4
69.07075	5.5
70.04132	0.8
70.04465	1.1
71.04973	2.5
73.02905	1.6
79.05056	1.2
79.05499	21.8
81.03408	2.8
81.07059	19.7
83.04991	3.5
83.08622	6.8
85.06561	0.9
91.05479	9.0
93.07049	33.9
95.04962	5.9
95.08610	35.6
96.08964	0.9
97.02896	4.9
97.06523	4.8
98.23455	0.9
98.97571	2.2
99.04471	4.1
99.08079	1.0
103.05460	3.2
104.05755	0.7
105.04536	1.1
105.07022	7.6
107.04954	11.4
107.08596	25.9
109.06496	2.8
109.10132	2.4
111.04440	1.5
111.08027	1.2
117.07029	8.3
119.08587	9.8
121.06493	6.2
121.10141	10.7
125.05971	2.5
129.06979	0.9
130.07759	2.1
131.08566	1.9
133.10143	1.4
134.09642	0.8
135.08038	2.4
135.11696	42.5
139.07524	1.6
145.10130	28.5
146.10428	0.9
153.12717	1.0
155.08531	1.3
159.11673	0.8
163.11185	58.9
164.11435	1.1
181.12253	14.2
209.11719	2.0
227.12775	100.0
228.13086	1.9
255.11292	1.0
260.00043	0.9
278.01025	0.9
283.06052	1.0
283.15353	38.9
284.15714	1.5
284.21906	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01864	2.9
55.05511	10.0
57.03209	1.0
57.03439	9.5
58.83526	0.8
63.09829	0.9
67.05507	18.8
69.03413	1.8
69.07065	6.7
70.75661	1.2
71.05000	1.9
72.08147	1.7
73.02916	2.8
77.61449	0.9
79.05496	24.2
80.07836	0.9
81.03432	3.7
81.07054	18.0
83.04966	4.2
83.08628	7.8
85.06509	1.7
89.06030	2.4
91.05472	9.0
93.07049	37.0
95.04983	8.3
95.08610	35.0
95.09224	2.3
96.08930	1.5
97.02873	3.6
97.06513	4.3
97.10174	1.5
98.97563	6.0
99.04462	4.8
103.44546	1.1
104.68771	0.9
105.07043	7.3
107.04960	8.4
107.08593	27.6
109.06506	1.8
109.10170	3.0
110.93986	0.9
111.04398	1.0
111.08062	1.1
116.98618	4.2
117.07024	7.6
119.08590	8.9
121.06513	7.2
121.10143	11.5
123.11718	1.3
125.05962	2.6
130.07800	1.6
131.08568	1.3
133.10127	4.0
134.99661	1.4
135.08073	1.8
135.11699	41.0
136.11951	1.1
139.07547	1.5
145.08975	1.4
145.10124	27.2
163.11186	57.6
164.11482	1.2
173.09637	2.0
181.12241	14.4
183.37335	1.1
209.11771	1.7
227.12784	100.0
228.13144	3.3
233.11549	2.5
260.00058	2.0
271.81061	1.0
278.01193	2.1
283.15222	93.9
283.20462	3.1
284.15533	2.0
284.21899	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01866	5.8
55.05516	10.1
56.96556	2.8
59.04987	2.6
59.51568	2.2
61.02964	2.5
67.05497	22.5
68.64850	2.5
69.03443	6.9
69.04546	4.4
69.07063	7.8
69.54798	2.1
71.05000	8.4
71.44730	3.7
73.06542	2.3
75.04469	3.5
76.04005	2.3
76.23209	2.3
79.05495	29.4
81.03407	2.9
81.07053	32.6
83.04984	11.3
83.08690	2.5
85.06540	16.4
86.16985	2.1
89.06019	3.7
91.05487	39.0
93.07048	97.3
95.04958	21.1
95.08611	13.4
97.06528	11.1
97.10207	2.5
98.97588	20.3
98.98488	4.7
99.04472	9.1
99.08097	4.5
105.07035	58.1
107.04977	9.5
107.07916	5.0
107.08598	62.0
109.06524	46.7
109.10177	8.0
111.04443	14.8
111.08093	2.6
115.05454	2.7
116.98609	16.5
117.07021	22.7
119.08592	23.2
121.06497	7.7
121.10152	13.4
123.08081	4.4
124.10986	2.5
125.06020	7.7
127.07556	3.1
128.06288	3.1
129.07028	10.4
130.07782	10.5
131.08589	32.9
133.06508	8.6
133.10120	5.2
134.99680	8.1
135.08044	38.2
135.11693	13.4
137.05981	73.2
141.07051	3.2
141.09146	5.7
143.08580	17.1
144.09380	3.4
145.06505	11.0
145.10130	100.0
147.08052	10.7
147.11668	3.8
149.05919	3.5
149.09637	8.0
151.07545	12.3
153.09097	5.0
153.12764	8.1
154.07782	5.9
155.08562	3.2
158.07323	5.6
159.08038	5.8
159.11697	34.9
161.09650	4.8
161.13315	3.3
163.07549	3.5
163.11191	24.6
167.10667	18.5
169.10181	8.7
173.09631	39.1
177.08849	51.4
177.12675	4.7
181.12280	6.6
187.11197	41.0
189.09053	3.5
189.12781	7.6
191.10680	55.6
205.12280	36.6
207.09885	8.2
209.11699	12.6
215.10703	28.6
219.13774	8.2
227.12793	3.8
233.11763	31.5
247.13301	6.0
251.12804	9.2
259.99884	4.5
260.11810	3.3
265.14459	4.2
269.13858	8.7
278.00916	6.0
283.15405	4.6
283.20499	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96561	0.2
57.03428	0.3
60.05653	0.2
62.93943	0.2
70.06591	1.0
70.94587	0.2
86.09691	0.8
98.97585	1.4
101.00883	0.4
102.74044	0.2
108.56678	0.2
109.05145	0.4
110.03516	2.1
110.07178	0.8
116.07085	0.3
116.98631	0.6
119.01910	0.6
128.04572	0.7
128.10675	0.4
134.99669	0.2
135.03026	4.9
136.06172	0.2
137.98947	0.2
152.05672	100.0
153.04092	4.9
153.05222	0.3
153.06174	0.9
158.99942	0.2
172.08203	0.4
175.11894	0.4
177.00975	1.2
178.01042	0.2
201.01024	0.3
208.10344	0.3
214.18089	0.2
217.04149	0.4
219.01985	2.4
220.02130	0.3
225.00914	0.2
225.54485	0.2
233.11655	0.5
243.01991	1.2
261.03061	14.5
262.03192	1.6
279.00607	0.7
284.04575	0.4
303.17590	0.7
305.15372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.9
56.96569	10.8
58.06596	4.0
62.00346	1.4
67.05508	3.2
69.07060	11.1
70.06594	48.2
72.08153	7.5
81.07045	1.9
82.06586	3.7
83.06130	2.2
84.04491	3.5
84.08137	7.8
84.96002	1.3
85.02911	3.8
86.09709	5.7
87.08089	1.9
89.71286	1.4
93.04529	2.8
93.07047	1.9
94.40054	1.8
95.07381	1.3
96.08160	2.3
97.06535	2.5
97.99210	3.0
98.06049	2.1
98.97578	16.7
105.05507	2.8
105.09146	3.6
108.08142	3.0
110.07165	30.3
110.09682	16.1
116.00228	2.2
116.07088	3.7
116.98625	10.1
118.06575	3.5
120.08108	6.6
120.88483	1.8
128.00172	2.0
128.10718	100.0
129.10243	3.3
131.01250	2.2
134.01373	1.5
134.99702	5.4
136.06238	2.1
137.07924	2.7
141.10214	10.0
143.01326	5.2
150.07790	5.5
151.08105	2.3
152.05711	9.6
152.99673	1.8
153.74136	1.7
154.46822	1.5
156.07674	3.5
156.17480	1.7
159.66426	1.5
161.02382	1.5
168.99617	4.9
169.06105	1.4
169.09726	14.1
171.00798	2.4
173.02385	2.3
177.00935	1.6
192.28777	1.8
196.00702	6.1
199.07642	2.4
202.07454	4.1
213.12416	7.4
219.02063	2.6
222.80229	1.7
240.10239	3.5
249.09770	2.0
258.11264	2.9
260.96262	2.2
261.00101	2.8
261.03113	13.1
262.03244	2.5
276.12531	1.7
278.97281	2.6
279.00635	9.7
284.02319	5.3
284.05222	2.5
284.10071	37.1
284.15466	5.1
284.18616	59.1
284.29462	2.8
285.14139	1.7
302.10269	13.6
303.14102	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Amabiline
Peak:m/z	Relative Intensity
55.30826	0.2
56.05032	0.7
58.06602	1.8
60.54839	0.2
63.00052	0.2
68.05026	0.3
69.07058	0.5
70.06596	1.4
70.47845	0.2
71.08577	0.2
72.08195	0.2
79.05477	0.5
81.07037	0.6
82.06567	1.5
84.08134	0.7
93.07018	0.7
95.07338	0.9
97.06525	3.2
98.97583	1.0
108.08099	1.5
110.09676	16.9
116.98608	0.8
125.00050	0.2
128.10710	100.0
129.11031	1.4
134.99608	0.2
136.06160	0.3
174.68785	0.3
260.99890	0.3
261.03046	0.6
266.17468	0.4
278.97061	0.3
279.00610	0.8
284.18549	43.3
285.18793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	alpha-Hydroxymetoprolol
Peak:m/z	Relative Intensity
50.37645	0.2
56.05031	1.3
57.12752	0.2
57.22862	0.2
58.06599	100.0
59.06934	0.8
66.34592	0.2
69.33707	0.2
70.06595	0.3
70.07579	0.4
73.05299	0.9
79.05470	0.3
88.07626	2.4
89.06105	0.2
94.99303	0.2
96.08160	0.4
98.97596	0.7
114.09198	1.4
116.98649	0.3
118.08652	2.6
122.09673	0.3
134.99709	0.3
153.17677	0.2
181.30742	0.2
279.00580	0.2
284.18558	44.7
285.12347	0.3
285.18942	1.4
287.56726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.6
58.06600	100.0
59.06935	0.7
70.06601	0.5
70.07095	0.2
70.07447	0.4
73.05304	1.1
75.40143	0.2
79.57866	0.2
88.07632	1.5
89.06052	0.4
93.41793	0.2
98.22865	0.3
98.97574	1.0
107.66433	0.2
114.09193	0.3
116.98628	0.6
118.08641	1.8
128.10689	1.1
129.33794	0.2
134.99640	0.3
153.88533	0.2
157.11801	0.2
219.07623	0.2
233.67395	0.2
261.03094	0.5
266.15512	0.4
279.00580	0.5
284.18564	26.0
285.19006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2221
Annotation	epi-Tumonoic Acid D
Peak:m/z	Relative Intensity
52.83045	0.3
55.05513	1.5
56.05032	0.7
57.03440	0.4
58.06588	1.9
65.03924	0.4
67.05502	6.2
68.05005	0.3
69.07067	1.2
69.20367	1.6
69.77237	0.2
70.06590	14.6
79.05499	4.2
81.07055	8.6
82.06572	1.7
83.08608	0.4
84.08148	1.1
85.06545	1.0
91.05489	2.0
93.07050	4.6
94.06553	0.5
95.04985	0.5
95.08601	4.2
96.08125	1.9
97.06541	0.6
97.08894	0.6
98.09675	1.5
98.97590	1.1
105.07047	1.7
107.08588	3.5
109.06486	0.8
109.10161	1.2
110.09668	1.1
116.98607	0.6
117.07019	0.4
119.08602	1.5
121.10134	1.4
124.11256	0.4
131.08554	1.5
133.10161	0.5
134.99677	0.3
135.08052	0.5
135.11711	0.7
138.12822	0.5
145.10152	0.5
147.11690	0.7
149.09634	0.5
149.13208	0.6
164.14346	0.3
248.20110	8.4
258.62286	0.3
260.99551	0.6
266.21149	46.0
267.21426	1.7
279.00757	0.6
284.22192	100.0
285.22507	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	284.2221
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
52.16545	0.5
55.05511	0.7
56.05038	1.6
57.03427	1.6
58.06606	3.8
63.26784	0.5
67.05505	3.4
69.07064	0.8
70.06592	2.7
71.07374	0.7
71.46391	0.7
72.08156	1.8
79.05491	2.0
81.07049	4.7
83.08624	0.7
84.08138	9.3
85.06545	0.6
91.05480	1.2
93.07035	5.1
95.08607	3.3
96.08140	1.4
97.08875	0.6
98.09713	0.8
98.97588	5.2
105.07052	0.9
107.08604	1.5
110.07133	0.7
110.09668	1.1
112.11257	1.2
116.98624	3.1
119.08588	1.2
121.10152	0.8
131.08505	0.8
134.99644	1.6
145.10162	0.7
151.40738	0.6
172.44055	0.6
190.95479	0.8
222.22287	0.8
248.19986	2.0
260.95996	0.7
260.99579	1.7
261.03006	1.5
266.21140	27.1
267.21399	0.8
278.97147	0.7
279.00595	2.8
284.22195	100.0
285.22540	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	284.2223
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
50.94231	0.2
53.03944	0.9
55.01885	0.3
55.05519	0.9
56.05050	0.4
57.03439	1.8
58.06597	1.2
65.03949	0.4
67.05504	2.2
68.07769	0.2
69.07075	3.4
70.06593	1.1
70.72061	0.5
72.04530	0.6
72.08161	3.8
79.05495	11.0
80.05843	0.3
81.03426	0.8
81.07059	34.0
82.07378	0.4
83.04991	0.6
84.08121	0.6
85.02913	1.9
85.06544	2.9
85.08929	0.3
86.09711	1.1
91.05479	1.0
93.07056	1.1
95.04955	0.5
95.08622	0.9
96.08147	0.3
97.06534	5.4
98.09695	14.3
99.08099	1.5
105.07029	0.4
107.08537	0.2
109.06519	20.6
110.06881	0.3
110.09715	0.3
111.08096	0.4
113.09654	0.4
114.09169	0.6
114.12799	0.3
122.09688	0.4
124.11224	0.8
126.18136	0.2
127.07561	5.5
130.24728	0.3
131.08597	0.2
132.33871	0.2
135.08040	0.4
142.12277	15.6
143.12691	0.4
145.10101	0.3
153.05408	0.3
266.21194	1.3
284.06448	0.7
284.22202	100.0
285.22461	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	284.2949
Annotation	Octadecanamide
Peak:m/z	Relative Intensity
52.11553	0.5
55.05511	13.4
57.03415	2.1
57.07070	2.6
58.06599	4.4
59.94928	0.5
67.05504	3.9
69.06718	1.0
69.07068	15.0
69.92346	0.5
69.92683	1.5
70.06589	3.8
77.60090	0.5
81.07057	5.0
83.08624	9.3
85.06529	0.6
85.10139	0.5
85.83673	0.5
95.08595	5.4
97.10168	6.2
98.22796	0.8
109.10118	2.5
111.11723	1.8
123.11726	0.7
160.13991	0.5
240.10460	0.5
266.28427	100.0
267.28806	4.9
284.29477	32.6
285.29816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2951
Annotation	(2R,6R)-4-dodecyl-2,6-dimethylmorpholine
Peak:m/z	Relative Intensity
55.05513	8.7
55.65361	0.9
56.96566	1.0
57.03418	1.1
57.07076	4.9
57.71107	0.8
58.06594	1.8
67.05506	7.6
69.07068	8.4
69.95179	2.6
70.06592	12.7
74.06088	1.3
74.10910	0.9
75.96722	0.8
79.05499	0.9
80.94846	2.0
81.07046	7.1
83.08596	4.7
85.06531	1.8
88.07636	3.5
90.55623	0.8
95.08607	5.4
97.10168	2.8
98.09694	1.5
98.22678	1.7
98.97560	4.6
102.09157	2.0
104.99281	0.8
109.10146	3.3
113.06014	1.8
116.98619	3.5
120.96653	1.4
123.11667	0.9
128.51765	0.9
134.99631	1.7
149.05984	3.5
155.52390	1.0
164.92078	6.5
260.99561	1.8
261.89224	2.6
266.28427	53.6
266.86920	0.8
267.28784	3.5
279.00656	1.9
279.90375	1.0
284.29480	100.0
285.29767	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06993	0.9
54.63780	0.9
55.05515	8.0
56.05022	1.8
56.96556	0.9
57.03424	2.1
57.07066	2.9
57.57228	0.8
58.06583	2.3
66.19200	0.8
67.05506	9.0
69.07069	7.7
69.18261	4.7
70.06591	8.0
71.04965	0.9
74.06067	1.1
77.96941	1.4
79.05463	1.2
81.07059	9.9
83.08624	7.1
84.08134	1.7
95.08604	9.5
97.10156	2.2
98.09689	2.4
98.23531	1.6
98.97575	4.1
106.53079	0.9
109.10136	4.8
110.83042	0.9
113.44035	0.9
116.98626	3.2
123.11683	1.1
134.99695	1.1
138.47195	0.9
172.04776	1.2
184.20660	1.3
190.95511	1.1
211.94597	1.0
241.11827	1.2
266.28433	25.5
267.28897	1.0
279.00485	1.8
284.29480	100.0
285.10629	2.6
285.29837	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	284.2951
Annotation	(2R,6R)-4-dodecyl-2,6-dimethylmorpholine
Peak:m/z	Relative Intensity
51.08179	0.3
51.98468	0.3
52.34889	0.3
53.03950	0.3
55.05263	0.5
55.05511	6.8
56.05031	0.9
57.03423	0.7
57.07080	2.6
58.06601	3.1
62.02055	0.3
67.05502	5.2
69.07072	6.2
69.91077	0.9
70.06595	15.8
71.08627	1.1
74.06081	0.4
75.47417	0.3
79.05497	0.5
81.07063	5.0
83.08631	4.1
84.08142	1.1
93.07027	0.3
95.08613	5.2
97.10165	2.0
98.09702	1.5
98.97569	1.2
103.24178	0.4
109.10164	2.5
116.58292	0.4
123.11676	0.5
133.03282	0.3
164.92059	0.7
178.56549	0.4
184.20607	1.0
202.92181	0.3
205.87042	0.3
207.84525	0.3
238.25238	0.4
266.28433	61.5
267.28720	3.0
279.00577	0.6
284.29480	100.0
285.29745	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	285.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
53.39003	0.2
56.96564	0.5
58.06587	0.7
59.28239	0.3
60.24758	0.3
63.00041	0.3
64.73346	0.2
65.03924	0.3
67.05498	2.2
69.07050	0.5
70.06588	4.4
70.45541	0.4
70.45877	0.3
72.08159	0.6
79.05491	0.7
80.05008	0.3
81.07016	0.4
84.08138	0.6
84.19814	0.3
86.09698	0.9
87.08089	0.3
90.75169	0.2
94.06561	9.5
95.04950	0.4
98.97590	0.3
98.98470	0.5
106.06551	2.8
108.08113	0.8
110.07162	0.5
110.09673	0.7
116.07102	1.4
116.98612	0.3
122.06023	8.5
126.09174	0.4
128.10727	2.8
129.11099	0.3
136.07567	2.5
149.07123	0.5
150.05495	100.0
151.05856	2.1
159.11311	0.2
164.07043	0.3
165.06558	0.4
168.06561	2.4
173.09183	2.0
175.07661	0.2
182.08086	2.8
183.14955	0.3
193.06152	0.4
222.96960	0.3
253.08203	8.1
262.03149	0.4
262.05838	0.3
268.18991	0.4
285.12793	0.9
285.18796	1.0
286.05368	4.3
286.17447	0.4
286.20145	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03943	4.0
54.70515	1.8
55.01867	2.6
55.05511	21.2
57.03183	1.9
57.03437	27.1
67.05164	2.7
67.05504	40.8
69.03413	3.0
69.06767	2.0
69.07071	23.2
70.06585	3.9
71.05001	8.0
72.08132	1.8
79.05499	24.0
81.03418	91.0
81.07056	100.0
82.07378	1.9
83.04974	13.5
83.08617	27.8
84.08173	2.8
85.02895	7.0
85.06532	6.3
91.05481	33.3
93.07034	18.4
94.42072	1.7
95.04977	26.2
95.08607	22.9
97.06505	8.6
97.10176	3.1
99.08086	5.8
101.65331	1.8
105.07022	44.3
107.04947	5.4
107.08599	17.2
109.06487	7.5
109.10113	4.7
109.39626	1.6
111.04413	2.4
111.08101	12.6
113.05987	3.5
115.05411	2.4
117.07032	2.3
119.08578	35.8
121.06459	2.5
121.10145	23.9
123.08067	5.8
123.11705	30.4
127.07555	2.2
129.07028	10.3
131.08566	8.2
133.06485	2.6
133.10126	6.7
137.13200	2.2
142.07797	1.8
145.10089	1.8
147.08025	3.3
147.11684	70.1
148.11938	1.8
149.09641	4.2
152.61786	1.8
155.08510	2.0
157.10141	13.7
165.12752	41.3
175.11182	13.5
183.13728	3.6
193.12248	55.4
198.09064	2.3
211.13260	9.0
229.14316	7.7
243.11363	2.5
267.15842	18.4
268.22623	5.3
285.12216	7.0
285.16931	62.6
285.22238	5.1
286.23749	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03947	1.0
55.01867	2.6
55.05512	16.4
57.03436	24.3
57.07064	1.3
57.67463	0.7
64.86254	0.9
67.05505	35.2
67.05866	2.0
69.03417	2.2
69.07065	20.3
70.72176	1.4
71.04984	7.0
73.06533	0.9
77.03915	0.9
77.76251	0.8
79.05037	1.6
79.05488	21.6
81.03415	1.7
81.07056	100.0
82.07378	1.3
83.04974	8.7
83.08623	9.0
83.68549	0.9
85.02899	1.3
85.06540	7.1
87.04468	0.9
91.05480	27.3
93.07042	11.5
95.04978	4.2
95.08607	22.9
97.06516	8.1
97.10163	2.2
99.04454	1.4
99.08096	4.8
101.06067	1.0
105.07026	36.9
105.07731	1.8
107.08593	14.4
109.06524	6.7
109.10129	2.0
113.05984	1.5
115.07510	1.1
117.07002	1.8
118.96272	0.8
119.08580	29.8
121.10147	22.6
123.08064	5.4
123.11705	30.0
127.07521	3.7
129.07008	3.7
131.08588	1.9
133.10117	1.8
135.04465	0.9
137.13235	2.7
141.09062	1.7
145.10104	2.3
147.11679	74.9
148.12027	2.5
149.09604	1.2
151.11099	1.1
157.10144	3.6
165.12752	37.6
166.13084	1.0
169.08562	1.0
173.09586	1.2
175.11208	4.1
183.13785	6.1
187.11119	1.2
193.12253	3.9
198.03104	0.9
205.51230	0.8
215.10616	1.2
229.14343	8.3
233.11650	1.6
251.12828	1.0
262.02902	0.9
267.15936	4.0
285.16956	58.0
285.22189	3.6
286.17368	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03946	0.9
54.14698	0.3
55.01875	2.5
55.05508	15.0
56.05826	0.4
57.03436	20.6
57.07080	1.0
59.04996	0.9
65.03936	0.9
67.05502	33.6
69.03425	1.2
69.07066	19.7
69.80822	0.4
69.81184	1.0
70.06568	0.4
71.04989	6.2
73.02872	0.4
73.06541	0.7
76.03993	0.4
77.03918	0.4
79.05488	18.6
81.03401	0.6
81.07053	100.0
82.07377	1.2
83.04973	7.9
83.08617	9.5
85.02888	0.7
85.06541	7.2
91.05476	26.9
93.07040	12.7
95.04961	3.4
95.08602	19.7
96.08905	0.8
97.06525	7.5
97.10169	1.1
98.02582	0.3
98.06900	0.3
99.04443	0.6
99.08088	4.4
101.06026	1.7
102.40092	0.3
105.07025	37.9
106.07336	0.4
107.04921	0.5
107.08589	11.2
109.06517	5.3
109.10153	1.9
111.08072	1.1
113.06015	1.3
115.07619	0.3
117.07001	1.2
119.08575	28.3
120.08897	0.5
121.10141	19.2
122.10453	0.8
123.08070	4.8
123.11699	30.4
124.12033	1.0
125.09605	0.5
127.07568	2.7
129.06996	1.9
129.09065	0.5
131.08577	1.9
133.10123	3.0
135.11708	0.5
137.09610	0.4
137.13261	2.8
139.11191	0.3
141.09071	1.4
142.07722	0.6
145.10150	1.4
147.11676	72.1
148.12027	2.0
149.09618	1.1
149.13113	0.3
157.10136	3.3
165.12746	39.6
166.13106	1.1
171.11659	0.4
175.11168	3.4
183.12123	0.5
183.13794	5.4
193.12245	2.7
211.13275	0.9
229.14322	6.8
229.16367	0.6
243.11325	0.3
250.06664	0.3
267.15939	4.7
285.16946	58.2
286.17358	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03944	4.0
53.87222	0.8
55.01872	4.5
55.05262	1.2
55.05516	17.1
56.45380	0.8
57.03178	1.5
57.03442	23.7
57.07062	2.5
59.04994	1.0
60.45028	0.8
60.54526	1.0
65.03935	1.6
67.05508	37.6
69.03426	3.2
69.07072	18.2
70.06577	1.7
71.05000	6.7
71.44608	0.9
77.03949	1.1
79.05495	24.3
81.03422	59.8
81.07059	100.0
82.07381	1.4
83.04983	10.9
83.08623	20.7
85.02915	5.1
85.06516	6.9
91.05486	33.7
93.07043	17.0
95.04978	20.5
95.08607	24.2
96.57336	0.8
97.02943	1.0
97.06541	9.7
97.10183	2.2
99.08105	4.7
101.06025	1.3
105.04470	1.5
105.07037	39.9
107.04948	5.2
107.08596	15.1
109.06545	8.0
109.10159	3.5
111.08094	9.5
113.05991	2.8
115.05475	2.3
117.07055	1.5
119.04935	1.3
119.08582	29.6
120.94341	0.9
121.06505	1.1
121.10150	23.4
123.08079	5.0
123.11710	27.0
125.09633	1.1
127.07545	3.2
129.07016	8.4
131.08577	6.5
133.06503	2.5
133.10162	7.3
134.23709	0.9
135.08104	1.2
135.11688	1.0
137.09608	1.3
137.13258	2.8
141.09128	1.4
142.07803	1.8
145.10156	2.4
147.08020	1.3
147.11693	71.3
148.11987	2.3
149.09627	3.7
151.11104	2.1
157.10161	8.7
165.12766	38.9
169.09970	1.2
175.11166	10.6
183.13800	4.9
184.43303	1.1
193.12256	32.0
211.13216	7.6
229.14308	7.3
267.15924	19.6
268.22595	2.3
282.94412	0.9
285.07489	2.9
285.12280	1.8
285.16962	61.4
285.22205	2.8
286.17239	1.2
286.23813	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	286.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
60.37280	2.0
67.05508	8.6
69.03398	3.4
69.07069	9.4
69.31864	12.1
70.06582	6.0
71.04999	14.5
79.05483	7.8
81.07064	9.9
83.04974	24.9
85.06545	6.2
86.72144	2.1
91.05475	10.3
93.07044	18.5
95.04979	7.7
95.08602	4.9
97.06528	23.0
99.04449	8.2
105.07027	21.6
107.08603	22.4
109.06523	7.0
109.10130	2.8
117.07017	4.7
119.08586	7.1
121.06516	3.1
121.10154	9.9
125.05986	50.6
127.07600	3.8
129.07048	2.1
130.07758	2.1
131.08572	16.1
133.10139	3.2
135.11775	3.6
143.07039	100.0
144.09387	2.5
145.10123	39.9
147.11674	3.2
151.07530	3.8
153.05444	3.3
159.11678	14.4
163.11252	6.1
173.09596	14.6
181.12187	2.2
181.49663	2.2
187.11169	23.7
191.10699	21.6
205.12239	33.6
209.11769	6.4
215.10690	12.4
223.13316	3.1
233.11736	23.7
251.12895	14.5
268.22876	3.3
269.13770	6.6
286.23727	6.2
287.05447	7.8
287.13693	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	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51485	0.3
55.05490	0.4
56.05033	1.3
57.03436	0.6
57.61122	0.3
58.06601	1.8
59.06930	0.3
67.55196	0.3
68.05029	0.8
68.23846	0.3
69.07075	1.6
70.06591	32.1
70.88712	0.6
72.08150	1.4
75.05608	0.5
77.77490	0.4
79.05489	1.0
81.07056	1.2
82.06573	1.2
84.08136	1.3
84.43819	0.3
86.09705	25.0
93.07003	0.7
94.06546	0.5
95.07341	0.7
96.08118	0.6
97.06563	2.1
98.09704	0.7
105.07068	0.4
108.08124	1.6
110.09682	15.9
116.07091	60.9
117.07440	0.8
121.51054	0.3
127.08693	2.4
128.10715	100.0
129.11015	1.7
132.37967	0.4
138.54311	0.4
142.12297	0.8
143.10660	0.9
143.11795	16.8
155.08121	1.7
157.89452	0.4
171.11284	4.1
268.19089	2.1
286.20117	48.1
287.05405	1.0
287.20459	1.7
289.69385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2014
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
55.05492	0.3
56.05036	1.0
58.06601	0.9
59.82092	0.3
67.05498	0.4
67.62370	0.3
68.05009	0.6
69.07060	1.2
69.77872	0.5
69.78233	0.6
70.06595	2.7
72.49718	0.2
79.05485	0.8
80.33330	0.2
81.07048	1.1
82.06587	2.1
83.04961	0.5
84.08134	0.9
86.09711	1.2
91.05515	0.3
93.07047	1.0
93.98340	0.3
95.07343	0.4
95.08596	0.5
97.06534	3.1
97.27514	0.3
98.09720	0.3
99.08064	0.3
105.07007	0.5
108.08118	1.5
110.09682	18.6
111.04353	0.3
111.09988	0.3
116.07082	1.8
124.11240	0.7
125.06074	0.3
127.08654	0.3
128.10716	100.0
129.11038	1.8
142.12236	1.8
143.11813	0.4
219.42599	0.2
250.17944	0.3
268.19153	1.0
286.20120	53.1
287.20493	1.9
287.90564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2015
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
56.05039	0.8
68.05043	0.3
69.07070	1.1
69.13183	1.2
70.06594	7.1
72.08150	0.4
73.75449	0.2
79.05483	0.6
81.07047	0.8
82.06590	1.4
84.08151	0.8
86.09715	3.3
91.05460	0.3
93.07031	0.7
94.06567	0.2
95.07343	1.0
96.08154	0.4
97.06538	3.0
106.40523	0.2
108.08116	1.0
110.09682	14.3
111.09998	0.2
116.07095	6.1
127.08655	1.3
128.10719	100.0
129.11090	1.4
140.75417	0.2
143.07010	0.2
143.11812	1.7
155.08113	1.2
156.10178	0.5
171.11299	0.5
184.64020	0.2
229.15424	0.2
244.39003	0.2
268.19049	0.7
286.20132	40.9
287.20349	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2014
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
55.05523	1.0
56.05046	1.2
57.03455	0.6
58.06601	58.8
59.06932	0.5
64.99314	0.4
67.05511	0.8
68.90466	0.4
69.03427	2.9
69.07055	0.8
69.36359	1.1
69.36755	0.6
70.06590	2.3
71.20200	0.4
72.08157	1.8
73.05301	0.8
79.05501	1.8
81.07064	3.3
83.04977	2.0
84.08134	2.5
86.09719	0.5
88.07645	1.5
91.05479	0.9
93.07056	1.1
95.08623	1.0
96.08147	4.3
98.09702	1.8
99.08068	2.0
101.06039	0.6
105.07050	0.8
106.07426	0.4
107.08590	0.5
108.08166	0.5
109.06506	0.5
110.09727	0.7
111.04448	7.0
112.11237	1.1
114.09176	11.3
114.09936	0.8
118.08668	2.1
119.08583	0.6
121.10130	0.6
128.10732	1.2
129.05469	5.4
139.09038	0.4
142.12289	1.1
142.25792	0.3
145.10130	1.1
158.11719	0.7
181.12268	0.6
198.14790	0.4
199.81065	0.4
226.18005	8.1
227.18356	0.5
244.99637	0.4
268.19086	1.1
286.20126	100.0
287.20410	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	286.2375
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
53.03913	0.4
54.29128	0.4
55.01875	0.9
55.05506	2.4
56.05027	0.4
57.03176	0.6
57.03434	5.3
58.06588	1.7
67.05507	5.9
69.03424	0.6
69.07064	3.9
69.54008	1.5
70.06590	0.8
71.04983	1.0
72.04507	0.6
72.08147	3.7
73.13440	0.4
79.05498	4.3
81.07056	4.9
83.04992	0.7
84.08131	1.2
85.06526	1.6
91.05480	6.8
93.07040	6.6
95.04955	1.3
95.08590	3.7
96.08118	0.8
97.06519	3.2
98.09694	10.2
99.08073	2.5
102.09193	0.4
105.07017	3.7
107.08582	1.9
109.06498	0.4
109.10189	0.5
111.08102	0.9
113.09618	1.5
114.09192	2.2
115.07571	0.6
119.08575	1.5
121.10143	0.8
125.09676	0.5
128.10672	0.5
129.09109	0.5
131.08556	0.9
132.97266	0.4
133.10132	2.1
135.11722	0.8
142.12267	4.9
143.32480	0.5
144.86264	0.4
145.10103	0.9
147.11690	0.4
161.54559	0.3
223.30179	0.4
239.34123	0.4
250.21497	0.5
251.41113	0.4
268.22720	5.3
286.20364	6.2
286.23743	100.0
287.24100	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	286.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01863	0.5
55.05504	1.7
56.05020	0.5
57.03186	0.3
57.03437	3.0
58.06599	0.8
67.05501	4.6
69.03419	0.4
69.07072	1.6
69.44477	0.8
70.06593	1.1
71.04990	2.1
72.08148	4.0
73.02900	0.3
77.03934	0.2
79.05496	3.7
81.03410	0.3
81.07053	8.8
82.07379	0.3
82.61336	0.2
83.04985	0.4
83.08616	0.9
84.08140	0.9
85.06044	0.3
85.06535	4.1
86.09705	0.5
91.05479	4.1
93.07040	7.9
93.70111	0.2
95.04961	1.1
95.08602	3.5
96.08133	0.8
97.06516	1.7
98.09686	4.7
98.22707	0.3
99.08091	5.2
102.09170	0.6
105.07018	2.3
107.08587	2.1
109.06483	0.3
109.10155	0.8
111.08065	2.7
113.09595	0.3
114.09145	1.3
115.07542	0.2
117.07002	0.5
119.08604	1.2
121.10114	0.8
123.08042	0.4
124.11259	0.4
125.09631	0.2
129.09111	2.2
131.08578	0.8
133.10114	2.0
135.11674	0.5
137.09572	0.2
142.12257	1.2
145.10117	0.9
147.11647	0.6
149.13231	0.2
151.11153	0.6
153.01880	0.2
159.11702	0.4
161.13269	0.3
166.63721	0.2
187.14755	0.2
187.74774	0.2
194.12625	0.2
196.16937	0.4
208.17038	0.2
226.17989	4.1
226.21547	0.2
268.19220	0.3
268.22742	2.0
272.67117	0.2
286.23727	100.0
287.05457	1.2
287.13937	0.3
287.24036	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2377
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
52.60841	0.2
55.05512	1.7
56.05038	1.3
57.03441	1.4
58.06599	3.5
66.21024	0.2
67.05502	3.2
67.43210	0.3
69.07056	1.4
70.06592	2.6
70.15176	0.4
70.15496	0.4
71.07372	0.3
72.08146	1.5
79.05492	1.1
81.07053	4.9
83.08632	1.2
84.08143	7.3
85.06550	0.7
88.07598	0.3
91.05479	0.7
93.07038	1.1
95.04919	0.3
95.08602	3.4
96.08126	0.6
97.06526	0.5
97.10150	0.4
98.09678	0.8
99.08094	0.3
105.07011	0.6
107.08601	1.0
108.13666	0.2
109.10159	1.1
111.08096	0.3
112.11248	1.0
119.08553	0.5
121.10146	0.7
123.08109	0.4
123.11668	0.6
125.09676	0.4
133.10124	1.0
135.11746	0.4
145.10124	0.3
147.11797	0.3
171.95110	0.2
171.96581	0.2
187.14822	0.3
209.22078	0.3
236.20129	1.7
250.21642	0.7
268.22720	27.6
269.23044	1.0
286.23764	100.0
287.05441	0.5
287.24100	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	286.2378
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.05516	2.2
56.05033	1.5
57.03434	1.2
58.06604	3.2
59.86462	0.3
67.05506	2.4
68.10799	0.3
68.99796	0.4
69.07074	2.2
69.14592	1.6
70.06590	1.6
71.04997	0.5
72.08161	2.0
74.94115	0.3
79.05495	1.0
81.07055	4.0
83.08622	1.2
84.08142	7.9
85.06544	0.3
85.91542	0.3
88.07619	0.6
93.07060	1.1
95.08606	4.3
96.08096	0.5
97.06497	0.4
97.10192	0.6
97.19012	0.3
98.09730	0.5
102.96815	0.4
105.07018	0.5
107.04939	0.4
107.08546	0.6
109.10145	1.3
110.09724	0.4
111.08107	0.5
112.11237	1.1
116.98618	0.4
117.07005	0.3
117.47581	0.3
119.08551	0.8
120.97861	0.3
121.02854	1.3
121.10160	0.4
123.11712	0.5
128.10719	0.4
137.02281	0.4
147.04372	0.5
147.11707	0.8
153.01779	2.1
153.47064	0.3
165.01810	0.5
185.06093	0.4
196.16968	0.4
213.05428	0.6
231.06627	0.4
232.96542	0.4
241.04837	0.4
250.21637	3.5
258.05252	0.7
268.22711	25.8
269.23151	1.7
286.23758	100.0
287.05499	21.2
287.14374	0.4
287.24115	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	286.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34129	0.3
51.54820	0.3
55.01868	0.4
55.05504	1.7
56.05026	0.7
58.06592	1.2
67.05503	4.0
69.07078	1.9
70.06245	0.5
70.06596	7.1
70.95162	0.4
71.04986	1.1
72.08146	1.5
79.05479	1.1
81.07055	5.9
81.46395	0.3
83.08605	1.1
84.08144	3.6
85.06552	0.8
85.08907	0.5
86.09691	1.4
88.07633	6.0
89.11085	0.3
89.98512	0.4
91.05470	1.0
91.80540	0.3
93.07045	1.2
95.08609	3.9
96.08128	1.2
97.10159	0.5
98.09707	2.2
105.06999	0.9
107.08599	1.7
109.10145	2.2
111.08076	0.4
112.11231	2.5
119.08562	0.5
121.10122	1.1
133.10135	0.7
135.11728	0.5
147.11702	0.6
200.16434	0.4
236.20181	1.1
240.19627	0.4
268.22720	32.0
269.22986	0.9
286.23761	100.0
287.24057	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	286.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	0.9
55.05511	10.4
56.34404	0.7
57.03435	3.4
57.07064	2.7
58.06608	5.2
64.41769	0.9
67.05225	0.8
67.05508	10.9
69.07068	14.6
69.98373	2.3
70.06596	2.3
71.04986	1.0
72.08156	1.3
75.66051	0.8
79.05476	2.9
81.06584	0.6
81.07055	13.6
83.08618	6.4
84.08143	9.4
93.07036	3.7
95.08598	14.2
97.06513	1.7
97.10168	3.4
98.09692	0.9
99.08088	1.4
107.08582	2.5
109.10141	6.4
110.09668	1.2
111.11697	1.6
115.41779	0.8
121.10175	2.4
121.11185	0.8
123.11716	3.2
123.41585	0.8
128.10709	6.8
131.08595	0.9
135.11626	1.7
137.13258	1.1
141.16858	0.7
141.97531	0.8
149.13252	1.5
151.14693	1.0
171.01472	1.2
177.16348	0.8
196.35316	0.9
240.23138	1.1
250.25256	2.8
268.26343	100.0
269.26880	4.0
285.10840	1.0
286.27399	70.8
287.05762	1.7
287.27740	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	286.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
57.07075	8.6
58.06602	3.4
69.07071	12.9
69.51652	2.1
71.08628	3.4
83.08629	7.2
85.10156	1.9
92.71606	0.5
97.10162	6.2
111.11728	2.4
123.11591	0.5
179.58235	0.6
190.35559	0.5
226.21870	0.5
226.25276	0.5
245.22784	0.6
268.29993	100.0
269.30505	4.4
286.31049	32.6
287.31335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05511	10.0
57.07074	7.3
58.06599	4.4
59.50730	0.7
69.07066	11.8
69.28062	3.8
70.41384	0.6
71.08636	4.0
83.08620	8.2
85.10189	2.0
97.10172	6.4
98.22706	1.5
111.11734	1.7
125.13345	0.7
149.24347	0.6
247.86147	0.7
268.29987	100.0
269.30573	4.7
286.31036	32.5
287.31244	1.8
304.96735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.05508	0.1
55.22488	0.1
57.86872	0.1
60.53114	0.1
60.60266	0.1
64.12482	0.1
67.01859	1.4
67.05498	0.2
68.99437	0.0
68.99790	1.0
69.03400	0.1
69.07052	0.1
70.06585	0.3
71.04983	0.2
72.08160	0.1
79.01887	0.1
79.05503	0.4
81.03403	0.1
81.07041	0.3
83.05005	0.1
83.08610	0.1
84.08169	0.1
85.02901	0.1
85.06580	0.1
86.09737	0.1
89.03905	0.5
91.05483	0.1
93.03377	0.1
93.07032	0.2
95.04979	0.1
95.08598	0.2
97.02869	0.1
97.06522	0.5
97.10131	0.1
99.04461	0.2
105.07018	0.1
107.04947	0.3
109.02873	0.2
109.10136	0.1
111.00803	0.2
111.04428	0.1
111.08080	0.1
115.03950	0.1
117.03365	0.6
123.08047	0.1
125.02344	0.1
127.03914	0.3
129.01810	0.3
129.06960	0.1
131.57129	0.1
135.04407	3.9
137.02333	1.0
139.05435	0.1
147.04369	0.1
153.01817	10.4
157.06491	0.2
161.02312	0.9
167.05042	0.1
171.02887	0.8
179.03377	0.5
185.05960	0.3
195.04382	0.1
195.13762	0.2
199.03922	0.1
203.03369	0.2
213.05403	0.5
217.04933	0.1
219.06525	0.1
226.18094	0.1
227.03401	0.1
231.06485	0.2
241.04936	1.1
245.04379	0.2
259.06030	0.2
263.05551	0.1
269.04385	0.8
286.04819	0.1
286.20599	0.1
286.23682	0.7
287.05475	100.0
288.05807	3.4
288.08371	0.0
288.20242	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46280	0.2
52.60991	0.2
55.05511	0.2
56.47383	0.2
56.79201	0.2
57.15442	0.2
65.03944	0.3
67.01862	0.3
68.80642	0.2
68.99780	1.8
69.07046	0.4
70.06597	0.4
79.05469	0.6
81.07047	0.4
84.08163	0.4
92.71858	0.2
95.04935	0.4
98.97580	0.3
98.98517	0.3
105.03397	0.7
107.04951	0.9
109.02865	0.6
111.00792	1.5
111.04417	0.3
113.17849	0.2
118.37553	0.2
121.02863	6.3
121.03814	0.5
129.06961	0.3
133.02849	0.7
137.02339	1.8
139.08418	0.2
141.07013	0.3
145.06480	0.5
147.04422	1.1
153.01814	9.2
157.06490	1.2
165.01831	3.0
171.04427	0.5
183.02901	1.7
185.05962	1.0
189.05478	0.3
197.06065	0.3
213.05447	2.9
229.04944	0.4
231.06549	1.1
241.04828	1.3
255.17039	0.4
258.05231	2.1
259.05981	0.8
268.22665	1.0
269.04340	0.3
269.23047	0.3
286.20505	0.4
286.23737	2.6
287.05475	100.0
287.23889	1.2
288.05823	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.98283	0.1
65.03922	0.2
67.01863	0.2
67.05483	0.2
68.99784	1.7
69.03426	0.2
69.07050	0.1
71.04974	0.1
79.05486	0.7
81.03408	0.2
84.08149	0.1
85.70840	0.1
89.38599	0.1
95.04973	0.3
95.08556	0.1
97.02895	0.1
103.05434	0.2
105.03395	0.8
107.04934	1.1
109.02863	0.6
111.00799	1.3
111.04434	0.4
115.05445	0.2
117.07031	0.1
119.04924	0.2
121.02859	6.2
121.03943	0.3
127.03891	0.2
129.06990	0.4
131.04907	0.1
133.02837	1.1
135.04425	0.3
136.07559	0.2
137.02332	1.9
141.06960	0.2
145.06467	0.5
147.04385	1.2
153.01817	9.7
154.02150	0.1
155.05972	0.1
157.06473	1.0
161.05977	0.4
164.07005	0.1
165.01831	3.1
165.03172	0.2
167.35794	0.1
171.04448	0.5
171.05623	0.1
173.11739	0.1
175.03836	0.2
175.07651	0.1
183.02908	1.5
185.05962	0.9
189.05487	0.3
194.02109	0.1
197.05978	0.3
203.03337	0.2
203.07025	0.3
212.04640	0.1
213.05441	2.8
216.04248	0.1
217.04933	0.2
229.04930	0.4
231.06514	1.1
241.04919	1.3
243.06662	0.2
245.04460	0.1
257.04565	0.1
258.05219	1.9
259.06003	0.8
268.22293	0.3
269.04413	0.3
286.04813	0.2
286.23758	0.9
287.05475	100.0
288.05820	3.4
288.09216	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	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.05501	0.3
56.05850	0.2
57.03429	0.3
61.16294	0.1
67.01581	0.1
67.01863	1.1
67.05498	0.6
68.05846	0.2
68.99799	0.7
69.07069	0.5
69.84615	0.3
69.84924	0.1
70.06585	0.5
71.04948	0.1
72.08146	0.2
79.05483	0.5
81.03400	0.2
81.07056	1.1
82.07375	0.4
83.04988	0.2
83.08630	0.1
86.09760	0.2
89.03904	0.4
91.05463	0.5
92.05817	0.2
93.07043	0.6
95.08602	0.5
97.06543	0.4
105.07023	0.4
106.07347	0.2
107.04920	0.3
107.08600	0.4
108.08870	0.2
109.02850	0.2
109.06485	0.1
109.10179	0.2
111.04446	0.2
117.03389	0.7
118.88308	0.2
118.90025	0.1
119.08581	0.4
120.08902	0.2
121.10162	0.2
123.11636	0.2
124.12024	0.3
129.01863	0.2
131.08592	0.2
132.52821	0.1
133.10152	0.2
135.04425	2.8
136.34518	0.2
137.02345	0.9
145.10162	0.2
147.11676	0.6
148.11995	0.6
149.13338	0.2
153.01831	8.5
157.10074	0.2
161.02350	1.0
165.12810	0.2
166.13069	0.3
171.02858	0.7
179.03375	0.6
189.88499	0.2
203.03346	0.2
213.05440	0.3
230.14690	0.4
241.04945	1.1
245.04376	0.2
269.04456	0.7
269.12778	0.4
286.17175	0.3
287.05502	100.0
288.05838	3.6
288.20096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.4
56.96556	1.0
60.04514	0.4
60.05635	1.4
67.05476	0.4
69.07066	0.5
70.06611	7.4
71.04980	0.4
71.06932	0.4
72.08155	2.9
75.39148	0.3
84.08138	1.3
85.02897	0.7
86.09704	2.5
90.81200	0.4
97.06532	0.4
98.09682	0.7
98.22776	0.5
110.07164	0.8
110.93723	0.4
112.08747	1.0
113.02380	0.7
114.09195	0.5
116.07111	0.9
120.08105	0.7
128.10707	0.9
130.08649	0.6
142.12222	0.5
175.11877	2.2
216.98634	0.4
222.04430	0.5
237.64333	0.4
244.11719	0.5
263.09259	0.5
270.17078	0.9
271.17776	0.8
287.11023	100.0
288.11404	2.3
288.17947	4.5
288.20459	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	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.05513	20.3
57.03441	15.2
65.02153	2.0
67.05505	85.3
69.07066	24.2
70.06596	18.9
70.80887	3.5
71.05003	8.1
72.08157	3.0
79.05492	46.6
81.03415	4.3
81.07059	100.0
83.04980	9.7
83.08627	16.8
84.08138	3.6
85.06554	9.9
86.09721	6.7
91.05482	41.0
93.07046	83.8
93.40252	2.4
95.04980	11.2
95.08599	32.7
97.06537	26.4
97.10183	3.0
99.04433	3.5
99.08092	6.4
105.04520	2.3
105.07034	19.0
107.08590	33.5
109.06532	4.9
109.10168	6.9
111.08068	12.1
113.06027	3.8
114.00254	2.2
117.07033	16.8
119.08594	8.0
121.06535	3.1
121.10173	14.6
123.11706	3.4
125.03491	2.4
125.09631	2.8
131.08562	25.8
133.10114	23.9
135.08092	4.2
135.11699	23.0
145.10161	3.6
147.11694	2.5
149.13268	48.7
151.11218	4.7
157.10152	4.3
159.11702	66.2
161.13274	3.9
173.53802	2.2
175.11887	7.0
177.12755	51.8
179.14365	6.7
184.16888	2.5
195.13792	34.8
213.14830	3.2
241.13379	3.4
250.76283	2.2
251.16420	3.4
269.12827	5.0
269.17471	93.6
269.22693	4.2
270.17758	2.8
285.96045	2.2
287.05521	19.9
287.13907	6.7
287.18634	11.6
287.24066	14.4
288.20148	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	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.01873	17.4
55.05512	13.0
56.15448	0.3
57.03437	3.5
57.99957	0.3
66.13161	0.3
67.05503	14.0
69.03438	2.5
69.07066	3.3
69.38779	0.8
69.39195	0.6
70.06595	0.8
71.04993	20.6
77.03946	0.3
79.05499	8.1
81.03419	1.3
81.07056	10.7
83.04991	1.7
83.08620	8.0
85.06543	2.6
87.04474	6.1
91.05486	4.1
93.07044	8.1
95.04970	0.7
95.08605	3.9
97.06531	100.0
97.10163	9.2
98.06862	1.0
98.23515	0.5
98.52834	0.4
105.04533	0.4
105.07043	2.7
107.04927	0.5
107.08595	6.8
109.06512	0.8
109.10157	9.7
111.08059	1.9
111.11713	0.3
113.06031	0.4
117.03370	0.5
117.07017	3.0
119.08571	0.7
120.60762	0.3
121.06509	1.0
121.10146	1.4
123.08047	0.4
125.09625	4.5
127.38773	0.3
131.08560	3.7
133.10089	2.6
135.04416	0.9
135.08060	2.4
135.11737	1.7
135.24588	0.4
147.11748	0.5
149.09628	0.4
149.13289	2.8
153.01819	3.0
153.09099	0.8
159.11681	2.6
161.47952	0.3
167.14330	0.7
168.12517	0.3
177.12740	5.6
189.11285	1.2
195.13802	38.1
196.14130	1.1
213.12732	0.5
213.14853	16.5
269.17487	10.0
287.05505	25.0
287.18521	35.9
288.05838	1.4
288.18918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31330	0.3
53.03939	0.4
55.01871	18.9
55.05510	8.7
57.03434	2.3
57.07060	0.4
59.04993	0.4
59.60119	0.3
60.04539	0.3
65.52555	0.2
67.05504	14.3
69.03429	1.4
69.07071	3.0
70.06595	0.6
71.04993	16.2
71.46024	0.2
75.04473	0.8
77.03924	0.4
79.05495	7.4
79.05951	0.6
81.03412	1.6
81.07059	9.7
83.04970	1.2
83.08618	3.2
84.08124	0.4
85.06547	2.5
87.04466	7.2
91.05479	4.4
91.06038	0.4
93.07045	7.9
93.88418	0.3
95.04961	1.0
95.08606	3.6
97.06529	100.0
97.10159	4.0
98.06850	1.2
105.07021	2.4
107.04920	0.6
107.08587	5.6
109.06499	0.9
109.10156	10.3
111.08076	1.9
113.06036	0.6
117.07011	3.4
119.08566	0.7
121.06506	0.8
121.10149	1.2
125.09636	2.7
128.10727	1.9
131.08577	2.3
133.10126	2.3
134.10498	0.3
135.08067	2.6
135.11688	1.3
147.11617	0.4
149.09592	0.5
149.13242	2.2
153.01772	0.4
159.11700	2.1
164.07140	0.4
165.12738	0.7
166.65581	0.3
167.14307	0.8
177.12746	4.1
189.11201	0.8
195.13799	35.2
196.14169	1.0
213.14847	8.1
269.17459	7.2
269.23071	1.0
287.05511	4.7
287.18527	41.6
287.23474	5.0
288.05905	0.3
288.19009	0.9
306.21793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05510	1.7
57.03439	8.6
57.13226	0.5
58.06608	1.3
58.74892	0.6
59.11580	0.5
60.05654	9.0
67.05507	2.4
67.43004	0.5
69.07068	4.2
69.62824	1.2
69.63211	1.0
70.06595	45.5
71.01356	6.8
71.04992	1.6
72.08157	20.5
79.05497	2.4
81.03407	0.9
81.07061	1.8
83.08652	1.1
84.08133	3.2
85.02906	15.2
86.09709	37.1
87.04468	1.5
88.07615	0.6
89.02393	4.2
91.05489	1.5
93.07056	4.4
95.01322	2.7
95.04974	4.0
95.08601	4.2
95.99141	0.6
96.08146	1.3
97.02884	0.7
97.06538	8.5
98.06069	1.4
98.09702	13.0
98.22660	0.6
99.08108	1.8
99.09196	1.1
105.07028	1.0
110.09708	1.1
111.04465	1.8
111.08101	1.2
112.08737	6.7
112.11280	0.7
113.02370	21.9
113.06020	0.7
113.09673	3.8
113.10346	0.7
114.09166	3.6
115.08720	1.4
116.07081	3.9
119.08536	0.7
121.06542	2.6
121.23780	0.5
124.11182	0.8
127.03928	1.0
128.10709	1.3
130.08665	1.4
130.09778	1.7
131.03403	0.8
133.06537	0.6
137.09630	0.7
139.07556	1.2
140.08188	0.7
140.84143	0.5
142.09827	0.7
142.12277	22.9
144.10236	1.1
147.08160	0.6
150.64528	0.6
156.11337	1.6
157.10893	1.9
158.09268	2.3
161.09689	0.6
165.09181	0.9
172.10849	0.8
175.10739	2.0
175.11969	14.7
182.15445	1.5
185.16513	11.3
200.16460	11.8
207.10234	1.8
210.18581	1.1
212.12813	0.7
213.16000	4.3
225.11261	1.0
225.17169	0.7
226.17978	1.3
228.17171	1.1
228.94450	0.6
229.15512	2.3
252.15985	0.7
253.16747	0.8
270.17035	7.9
270.20486	1.6
271.17554	4.5
278.57364	0.7
285.40610	0.6
288.11639	3.7
288.18033	100.0
288.20563	31.8
289.12637	6.1
289.18134	3.1
289.21198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1921
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.05513	7.3
56.05036	1.1
56.26204	0.5
57.03440	5.5
58.06589	3.0
60.05643	2.8
65.44916	0.5
65.84557	0.5
65.94914	0.5
67.05506	6.4
69.07067	3.3
69.44766	1.1
69.45126	2.3
70.06595	12.1
71.05003	1.3
72.08157	69.8
73.08522	1.0
79.05484	4.0
81.07061	6.7
83.04996	1.1
84.08164	1.6
85.06558	2.5
86.09708	73.7
87.10026	1.1
88.07645	1.1
91.05494	2.2
93.07034	3.6
95.04990	1.7
95.08601	3.5
96.08122	0.6
97.06530	2.9
98.09694	5.4
99.08118	2.6
101.06017	0.7
102.09143	0.8
104.07117	2.7
105.07034	3.1
107.04971	0.5
107.08622	1.9
109.06539	1.6
112.01833	0.6
112.08784	1.1
113.06033	3.3
113.09667	1.0
114.09181	0.7
115.07599	0.8
116.07102	0.7
118.08656	4.1
118.83040	0.6
119.08627	1.9
121.10162	1.3
123.08102	1.5
124.11188	0.7
129.10240	16.8
132.10205	9.9
133.10199	1.7
135.08081	0.9
139.07532	1.2
142.12314	2.2
143.11800	30.2
145.10199	0.6
147.11700	1.5
149.09676	1.0
157.09737	10.9
157.13350	14.6
157.14532	0.8
161.13322	1.1
171.11307	10.4
175.11978	2.6
180.77528	0.5
185.12874	8.3
189.12384	8.3
190.12657	0.5
197.19678	0.6
207.13875	1.4
208.20767	0.9
210.18614	2.6
217.15504	1.3
225.14952	1.0
228.19812	0.8
243.17131	0.6
252.19769	2.4
270.20636	12.4
270.23547	0.6
271.17557	0.7
288.21771	100.0
289.22147	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	288.2033
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.05487	0.4
55.96265	0.3
56.96563	1.3
60.05651	19.2
61.43782	0.4
68.05013	0.6
69.07058	0.5
70.06593	100.0
71.04993	1.7
71.06940	1.1
72.08152	4.4
74.06052	0.7
82.99863	1.3
84.08144	3.0
85.07703	0.7
86.09709	15.6
88.07634	1.2
95.06084	0.6
97.01367	0.7
97.02867	0.3
97.07663	1.5
98.06071	3.6
98.97616	1.8
101.00886	8.9
101.56541	0.4
110.06078	0.5
112.08731	10.8
113.00873	1.3
113.07137	0.5
113.10741	0.4
114.10273	0.4
115.02454	2.4
115.08672	2.5
116.07096	7.6
116.98647	1.1
118.03508	1.1
119.01924	13.0
127.02359	0.4
129.03970	0.8
129.10245	0.9
130.08804	0.7
130.09775	3.1
131.01904	2.5
133.03459	3.3
137.02968	2.0
140.08211	1.1
141.10260	0.5
142.03482	0.4
142.09743	0.4
143.01938	2.1
144.99820	0.6
145.03426	0.8
145.54825	0.4
147.05083	0.5
149.03001	0.6
151.04576	0.6
156.11273	2.2
157.10832	2.6
158.09250	5.6
158.38567	0.5
160.04547	0.4
161.02965	4.3
166.12247	0.6
168.99815	1.3
171.01390	1.4
172.10896	0.5
173.02986	1.1
175.11909	28.5
176.12198	0.5
177.02512	0.5
182.16458	0.5
183.14995	0.6
187.00867	4.1
189.02396	1.2
191.04015	1.3
196.99338	0.5
199.00923	1.9
201.02534	0.8
205.01993	2.7
208.14458	1.1
212.12895	1.6
215.00383	2.9
217.01924	1.9
219.03583	1.0
225.17072	2.0
228.17140	2.3
229.02014	1.3
229.15462	4.6
230.07063	0.5
233.01512	0.8
247.03003	3.9
253.16649	0.7
254.15028	0.8
265.03952	0.5
270.19397	0.7
271.14700	0.5
271.17618	10.2
277.04361	0.5
288.20306	91.3
289.03976	0.9
289.06949	1.0
289.20660	3.4
307.05011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
55.21711	0.3
56.05040	1.5
56.10978	0.3
57.03443	0.9
58.06602	2.5
60.05655	1.9
63.29843	0.3
65.59198	0.3
67.05509	2.8
69.07073	1.1
69.76614	0.9
70.06595	13.8
71.05002	0.7
71.06926	0.4
71.07390	0.4
71.17670	0.3
72.08159	2.2
74.65783	0.3
79.05490	1.8
81.07052	4.6
82.06596	1.0
83.04992	0.8
84.08151	3.9
85.06539	0.5
86.09711	2.8
88.07650	1.1
91.05522	0.9
93.07048	1.5
95.04977	0.6
95.07360	0.5
95.08617	1.6
96.08147	1.1
97.06538	1.5
98.06064	0.5
98.09711	1.2
99.08123	0.5
105.07026	0.8
107.08615	1.0
108.08150	0.8
109.06545	0.4
110.09684	6.6
112.08755	1.3
112.11247	6.3
114.09120	0.5
116.07116	0.9
119.08577	0.6
121.10117	1.5
124.11246	0.4
127.07596	0.4
128.10722	23.2
129.11111	0.4
149.09589	0.7
158.09335	0.4
169.16525	0.4
175.11906	3.1
208.20657	0.7
210.18536	2.9
222.35477	0.3
228.19666	1.2
229.15373	0.4
252.19565	4.1
255.30119	0.3
270.17447	0.7
270.20633	11.0
271.17670	0.7
271.20932	0.4
288.21765	100.0
289.22131	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	288.2171
Annotation	O-octanoylcarnitine
Peak:m/z	Relative Intensity
54.38116	0.4
55.05510	0.9
56.05035	0.6
57.05601	0.4
58.06597	1.1
60.05643	1.0
65.04971	0.3
67.05509	2.2
69.07079	1.1
69.12070	2.2
70.06594	10.9
71.04990	1.1
72.08167	1.8
73.95493	0.3
79.05483	2.6
81.07062	2.7
84.08147	1.9
86.09707	6.9
86.96819	0.4
88.07629	5.2
91.05473	0.6
93.07045	2.5
95.08592	1.6
95.72162	0.3
96.08157	0.4
97.06538	0.4
98.09683	1.7
105.07047	1.0
107.08590	1.3
108.56505	0.4
109.10166	0.5
109.73116	0.3
112.08748	0.7
112.11261	1.8
116.07117	0.5
119.08621	0.6
121.10136	1.6
122.03389	0.4
128.10684	0.4
129.10185	0.4
133.10117	0.6
135.11717	0.5
161.13383	0.6
175.11943	1.3
203.37398	0.4
208.20607	3.3
210.18536	29.3
211.18860	1.1
226.21687	1.2
228.16084	0.5
228.19594	6.5
252.19630	0.8
257.73422	0.3
270.20657	14.1
271.17661	0.6
271.21094	0.6
288.21732	100.0
289.22098	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	288.2171
Annotation	(plusmn)-Octanoylcarnitine
Peak:m/z	Relative Intensity
55.05507	0.6
56.05030	1.5
57.03438	0.9
58.06601	18.7
59.04993	0.2
59.06929	0.2
67.05518	1.3
69.07056	1.0
69.83766	0.9
70.06587	1.6
70.77229	0.2
71.43742	0.2
72.08155	3.6
79.05491	0.9
81.07063	1.4
83.04980	0.3
84.08127	0.7
85.06556	0.4
86.09689	0.3
88.07609	0.6
91.05485	0.7
93.07043	1.2
95.08610	1.0
96.08128	0.6
97.06541	0.5
100.07620	0.6
103.79036	0.2
105.07033	0.4
106.00706	0.2
107.08575	0.5
109.06519	0.4
109.10155	0.5
110.09702	0.3
121.10181	0.7
122.09734	0.3
135.11719	0.7
147.11708	0.3
168.13826	0.6
186.14876	0.9
226.18007	1.5
252.19566	5.6
270.20642	5.1
279.11130	0.3
288.21689	100.0
289.22034	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	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.52093	0.9
57.03426	1.1
60.05654	6.3
60.05902	0.9
69.03424	2.8
70.06590	21.3
71.04992	2.5
71.06928	1.8
71.44296	1.0
72.08160	2.3
77.00906	1.5
81.03425	4.6
82.99857	2.8
84.08152	6.9
85.02889	2.5
86.09705	9.0
86.99323	1.0
87.10017	1.1
94.93010	7.0
95.08592	1.1
97.01402	2.7
97.02873	2.4
99.04465	4.5
101.00877	37.4
109.02856	5.5
112.08738	2.3
113.00845	2.2
115.02441	17.2
115.08683	1.3
116.07092	3.6
117.04028	1.3
119.01920	100.0
120.02017	2.9
127.03020	2.1
127.03914	28.1
127.08715	1.5
129.03976	7.2
129.10222	3.4
130.09718	1.2
131.01891	7.2
133.03470	23.8
135.05048	2.6
137.02957	20.7
137.62939	1.0
142.03487	2.4
143.01912	14.1
144.99808	6.3
145.03477	2.0
147.01442	2.0
147.05026	11.1
147.11224	1.6
151.04504	4.0
156.11261	1.7
157.03493	2.0
158.09213	2.0
161.02960	39.1
162.03200	1.0
168.99831	11.2
171.01347	6.1
173.02969	7.9
175.00841	2.0
175.11903	10.0
177.02473	1.5
179.04042	2.0
180.31532	1.0
186.99200	1.4
187.00882	27.3
187.02492	2.0
189.02432	10.3
191.04010	7.1
196.99272	8.5
199.00938	7.1
200.00893	1.2
201.02432	4.1
205.01938	10.9
207.03477	3.5
212.85228	2.9
214.84900	1.2
215.00366	39.8
216.00586	1.4
217.01950	12.5
218.02074	1.5
219.03566	6.4
229.01964	12.8
231.03598	2.0
233.01465	3.5
238.01875	1.2
247.02997	36.1
248.03189	3.0
265.04025	11.3
270.04361	1.1
271.17664	2.6
272.13596	2.8
277.03998	1.0
279.80807	1.1
288.17584	1.8
288.20276	16.8
289.03995	5.4
289.16132	3.7
289.20703	3.9
307.04993	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.52093	0.9
57.03426	1.1
60.05654	6.3
60.05902	0.9
69.03424	2.8
70.06590	21.3
71.04992	2.5
71.06928	1.8
71.44296	1.0
72.08160	2.3
77.00906	1.5
81.03425	4.6
82.99857	2.8
84.08152	6.9
85.02889	2.5
86.09705	9.0
86.99323	1.0
87.10017	1.1
94.93010	7.0
95.08592	1.1
97.01402	2.7
97.02873	2.4
99.04465	4.5
101.00877	37.4
109.02856	5.5
112.08738	2.3
113.00845	2.2
115.02441	17.2
115.08683	1.3
116.07092	3.6
117.04028	1.3
119.01920	100.0
120.02017	2.9
127.03020	2.1
127.03914	28.1
127.08715	1.5
129.03976	7.2
129.10222	3.4
130.09718	1.2
131.01891	7.2
133.03470	23.8
135.05048	2.6
137.02957	20.7
137.62939	1.0
142.03487	2.4
143.01912	14.1
144.99808	6.3
145.03477	2.0
147.01442	2.0
147.05026	11.1
147.11224	1.6
151.04504	4.0
156.11261	1.7
157.03493	2.0
158.09213	2.0
161.02960	39.1
162.03200	1.0
168.99831	11.2
171.01347	6.1
173.02969	7.9
175.00841	2.0
175.11903	10.0
177.02473	1.5
179.04042	2.0
180.31532	1.0
186.99200	1.4
187.00882	27.3
187.02492	2.0
189.02432	10.3
191.04010	7.1
196.99272	8.5
199.00938	7.1
200.00893	1.2
201.02432	4.1
205.01938	10.9
207.03477	3.5
212.85228	2.9
214.84900	1.2
215.00366	39.8
216.00586	1.4
217.01950	12.5
218.02074	1.5
219.03566	6.4
229.01964	12.8
231.03598	2.0
233.01465	3.5
238.01875	1.2
247.02997	36.1
248.03189	3.0
265.04025	11.3
270.04361	1.1
271.17664	2.6
272.13596	2.8
277.03998	1.0
279.80807	1.1
288.17584	1.8
288.20276	16.8
289.03995	5.4
289.16132	3.7
289.20703	3.9
307.04993	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
51.02381	0.9
55.01866	1.9
56.05027	0.9
57.03439	0.8
58.06602	10.1
59.06936	1.0
65.03938	1.9
67.05496	4.4
68.99786	3.4
69.07063	1.1
70.06583	1.2
70.98661	0.7
71.04986	0.6
72.08150	2.0
77.03941	1.0
79.05494	1.5
81.03442	0.5
81.07051	1.5
83.04974	0.8
84.08120	1.0
89.03900	1.6
91.05472	2.4
93.03339	0.9
93.07041	1.1
95.04967	5.7
95.08576	0.7
96.08115	0.7
98.97562	0.6
103.05512	1.3
105.03400	1.7
105.04507	1.0
105.07061	0.7
107.04951	6.7
111.00797	1.6
111.04448	1.4
115.05447	0.9
116.98627	0.6
117.03375	2.3
119.04957	1.6
121.02853	5.0
123.04426	100.0
124.04747	1.6
127.03924	2.1
129.01877	0.6
131.04883	2.7
133.06563	0.8
135.04405	8.3
137.05928	0.8
139.03896	29.5
141.06975	1.9
145.02858	3.8
145.06508	1.0
147.04395	0.7
149.02336	15.1
151.03915	6.9
153.01826	3.4
159.04401	4.2
161.05980	1.5
163.03893	21.9
167.03410	0.6
169.05215	0.6
169.06419	2.9
171.13835	1.0
173.05984	1.1
177.05429	0.9
181.06448	0.8
185.05991	1.1
186.14780	0.6
187.03844	5.2
197.06033	3.6
199.03929	0.6
201.05708	0.6
205.04930	3.3
215.07016	16.4
216.07497	0.8
225.05492	1.4
233.11494	0.6
243.06529	22.7
244.06841	0.9
245.04463	1.0
252.19560	1.6
253.04974	1.3
253.19835	1.7
270.20648	2.1
271.05963	8.5
271.20947	2.2
288.21689	33.9
289.07004	10.9
289.16495	1.0
289.22003	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	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
51.82916	0.9
55.01863	1.4
55.30431	0.7
57.03435	2.0
58.06594	9.0
65.03936	1.8
67.05487	2.2
68.99794	2.5
69.07058	2.3
69.25400	0.7
70.06586	2.3
71.04997	1.7
71.14187	1.2
72.08140	2.6
72.75947	1.0
79.05490	1.8
81.07045	2.5
84.08161	1.9
84.92868	0.9
88.78300	1.0
91.05494	5.2
93.07007	1.5
95.04961	1.1
95.08591	1.4
96.08131	0.9
98.09695	2.0
98.97590	1.5
99.04466	1.6
105.07071	1.7
107.04943	17.4
114.09169	0.9
119.04929	2.4
119.08588	1.2
121.02863	30.0
121.03763	1.4
123.04442	6.6
127.03938	2.1
128.10770	1.3
131.04930	1.3
131.08595	1.2
139.03893	1.9
141.06967	2.7
147.04387	1.5
147.08023	1.0
149.02339	58.5
151.80864	0.8
153.01833	11.1
159.04422	2.2
159.07983	1.1
163.03979	1.1
169.06453	6.0
171.02811	1.1
173.05988	1.2
181.06572	1.4
187.03955	1.6
187.07477	1.6
197.05931	5.7
215.07021	66.2
216.07356	1.9
243.06525	100.0
244.06822	3.2
252.19496	2.5
253.05165	1.2
253.19815	1.4
270.20645	4.5
271.06000	37.2
271.20920	3.8
272.06299	1.5
288.21701	44.2
289.06934	2.4
289.16299	18.5
289.21988	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	0.4
57.03435	0.5
60.04533	0.5
60.05643	1.4
67.05521	0.4
69.07086	0.6
70.06596	7.5
70.82506	0.5
71.06332	0.4
71.06927	2.0
72.08159	2.8
73.08482	0.4
74.06084	0.7
75.63978	0.3
79.05502	0.5
81.07044	0.9
84.04521	0.5
84.08151	2.7
85.02899	0.4
86.09711	3.7
87.10049	0.6
93.07026	0.3
95.08608	0.8
98.09710	1.0
101.00884	1.3
102.99956	0.4
112.08741	0.9
113.02345	1.0
114.05574	0.4
115.34494	0.3
116.07063	0.5
118.03572	0.4
119.01934	1.9
120.06581	0.4
120.08115	2.4
127.03948	0.9
129.10234	1.3
142.12329	0.6
143.11797	0.8
144.10147	0.4
147.11290	0.8
171.11328	0.4
173.12865	1.3
175.11925	1.9
176.12383	0.7
184.16985	1.2
186.16869	0.4
187.14398	1.7
215.13945	0.7
221.06703	0.4
248.07797	1.6
249.06038	0.5
266.08853	1.5
271.16940	0.6
272.07590	1.1
272.13727	0.5
272.18478	2.5
289.12598	100.0
289.18182	4.0
289.21170	5.3
290.12909	2.8
290.19626	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	289.155
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
52.88195	0.4
55.05502	1.6
57.03455	0.6
57.07059	0.5
67.05492	1.6
69.03414	0.5
69.07050	1.6
69.26199	2.0
69.26607	0.8
70.06571	1.8
71.06909	0.4
79.05491	2.0
81.03421	0.5
81.07074	2.1
83.08598	1.3
85.02878	0.8
85.06501	0.6
91.05492	4.0
92.06266	0.6
93.07039	1.3
94.06568	1.1
95.08615	2.5
96.08139	2.7
97.06497	0.7
97.10138	0.5
99.04440	0.9
104.05003	1.0
105.07017	1.4
106.06556	1.2
107.08603	1.5
108.08128	0.9
109.02835	0.5
109.10148	0.7
109.19900	0.4
116.04983	0.6
117.05737	1.3
118.06542	6.5
119.07334	3.5
119.08565	0.9
120.08112	12.8
121.10147	1.0
122.09653	0.6
123.11667	0.5
124.07603	10.5
126.09122	0.9
127.03906	1.8
129.16077	0.4
133.10092	0.8
134.06021	3.3
135.08084	0.7
135.11803	0.7
136.07582	6.5
138.05513	2.3
146.05994	5.5
147.06839	3.2
147.07906	0.7
148.06462	0.8
148.07587	11.1
148.08757	0.6
150.09134	0.9
152.07100	0.5
159.11577	0.5
161.13155	0.5
164.07068	100.0
164.57207	0.5
165.07491	2.3
166.08635	2.8
172.11197	0.5
180.06578	0.5
186.11493	0.5
198.12822	0.6
200.10687	1.0
214.10974	0.6
215.15480	1.9
216.10094	2.1
217.19479	0.6
226.12375	0.5
228.10423	0.6
229.13428	0.9
229.15709	0.5
243.14993	4.6
245.16463	2.8
253.13445	0.7
254.11754	1.1
271.14423	22.9
271.16925	0.8
272.14792	0.9
289.15466	80.6
290.15912	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.04768	1.6
53.03938	1.9
55.01868	6.0
55.05517	8.5
57.03455	2.2
57.17406	1.7
65.03970	1.7
67.05494	11.4
69.03430	7.8
69.07077	11.8
69.32363	8.3
70.06591	6.6
71.04985	13.7
71.06920	2.4
73.06536	2.0
79.05497	13.2
81.03423	4.6
81.07050	41.0
83.04977	17.2
83.08624	8.1
85.02910	7.9
85.06540	8.0
91.05476	15.0
93.07040	62.6
95.04968	12.3
95.08603	44.1
97.02900	2.6
97.06526	30.3
98.22649	2.8
99.04459	31.9
101.06065	2.7
103.03959	5.4
105.07029	35.1
107.04990	5.3
107.08588	28.5
109.02879	3.6
109.06510	28.7
109.10177	7.2
111.08070	22.1
113.06010	6.4
117.07041	5.4
119.04961	2.6
119.08580	21.0
121.02871	7.7
121.06496	80.0
121.10146	6.9
123.02328	2.0
123.04422	3.2
123.08076	4.5
123.11717	10.2
125.05985	13.8
127.03909	11.6
127.07555	8.4
129.07034	3.6
131.08563	5.4
133.06473	2.4
133.10127	21.2
135.04436	5.5
135.08051	12.2
135.11732	2.5
137.05951	3.5
137.13211	2.6
139.07532	26.8
141.05450	2.2
142.07785	2.4
143.07057	11.3
143.08540	9.3
145.10124	7.9
147.08072	3.7
147.11678	52.3
149.09689	2.5
149.13304	4.0
151.07652	2.1
151.11188	7.6
153.01866	7.4
157.08633	11.5
157.10133	14.6
159.06480	14.1
161.09573	2.5
161.13266	9.3
163.03900	4.6
165.12727	15.7
166.07874	2.4
169.12248	24.1
171.11662	17.2
173.08197	2.3
173.09612	3.5
173.13347	2.2
175.11168	34.8
181.10080	2.8
187.06090	2.5
189.12733	24.0
193.12245	33.7
199.11185	28.4
207.13800	16.5
211.13301	33.8
211.37146	2.1
217.12219	100.0
218.12610	4.3
229.14336	15.2
235.13271	95.9
236.13712	2.7
253.14314	61.0
271.15387	3.8
283.53656	2.1
289.06863	2.9
289.20758	4.5
289.25314	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	289.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29285	1.1
57.07075	100.0
58.07390	1.5
64.97816	2.3
69.55319	6.0
70.06611	1.1
72.04513	21.7
80.94875	1.4
88.02179	1.7
91.54150	1.2
95.48724	1.5
95.51669	1.0
98.86771	1.2
99.54510	1.5
100.07616	47.5
116.05313	2.9
133.37410	1.3
134.63026	1.3
156.13829	79.9
171.13792	1.4
172.11546	1.8
222.18596	1.2
247.44449	1.2
289.19281	1.8
289.22183	1.5
289.29343	3.6
290.26773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03940	1.1
55.01862	1.6
55.05512	19.6
57.07061	0.7
59.04995	1.0
59.59938	0.7
62.42419	0.6
65.03927	1.6
67.05162	1.4
67.05505	20.5
69.03432	0.8
69.07069	15.0
69.61842	3.1
71.04967	1.2
73.06548	2.3
77.03927	0.9
79.05491	16.8
81.07057	25.1
81.76299	0.7
83.08622	9.6
85.06539	4.2
87.08101	0.8
91.05482	43.6
92.05822	0.7
93.07047	16.5
95.04954	2.8
95.08604	19.6
97.06521	2.6
97.10175	1.7
97.92603	0.7
99.08101	1.0
101.06006	0.7
101.48965	0.7
103.05444	1.4
105.07030	57.6
106.07344	1.3
107.08591	10.5
109.06502	2.6
109.10152	7.2
111.08080	2.1
115.05463	1.3
117.07024	15.5
119.08583	59.1
120.08926	1.0
121.06511	1.9
121.10130	6.5
125.09652	0.9
129.06981	4.1
130.07742	0.7
131.07663	1.3
131.08574	18.2
132.09341	0.8
133.10124	24.7
134.10461	0.7
135.08026	2.5
135.11665	3.6
141.07002	1.9
143.08521	3.8
145.10127	27.2
146.10645	0.9
147.08070	1.0
147.11685	30.6
148.11932	0.7
149.09605	1.4
149.13269	1.7
155.08559	2.1
157.10107	8.7
159.08159	0.9
159.11694	27.1
161.09625	1.9
161.13257	18.6
162.13580	0.7
163.11159	2.3
164.92203	0.6
169.10103	3.8
171.11670	5.1
173.09590	0.8
173.13248	17.2
174.13681	0.8
175.11205	2.5
175.14851	3.3
177.12752	1.9
183.11690	3.9
185.13289	2.4
185.77487	0.7
187.11234	1.6
187.14784	1.6
189.12704	1.9
193.12273	1.1
195.13850	0.7
197.13287	4.2
198.69994	0.8
201.12700	1.5
207.13815	1.0
211.14824	2.3
213.16365	2.2
215.14366	1.6
215.17941	3.2
229.15916	2.2
229.19429	1.5
239.17903	13.6
257.18982	18.0
261.22122	2.3
271.20569	1.1
289.21613	100.0
290.21854	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	290.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46476	0.9
56.05022	1.5
56.96554	3.9
57.03437	2.7
58.06592	2.6
60.05640	1.0
67.05507	1.6
69.03416	1.0
69.07062	2.8
69.50488	3.8
70.06598	6.6
71.04975	1.7
72.08154	13.8
74.06086	1.5
79.05485	3.4
81.07060	7.1
83.04935	0.9
84.08152	2.2
84.96045	1.0
85.02911	0.9
85.08922	1.1
86.09715	8.1
91.05469	2.0
93.07031	3.3
94.06570	1.0
95.04942	1.1
95.08604	9.0
97.06516	1.2
98.09680	3.2
98.97581	3.8
105.07061	1.8
107.08678	0.8
109.06516	1.0
111.04381	0.9
112.07609	1.0
113.02365	1.6
116.98621	3.4
120.01997	1.3
120.08102	5.8
121.10135	1.2
123.04440	1.1
130.08678	1.3
131.08571	1.4
133.14075	0.9
134.99677	1.8
136.53442	0.9
139.01604	1.0
143.00172	1.5
143.11807	3.3
147.07022	1.0
156.13857	2.7
158.09315	1.1
161.01263	2.2
164.77460	1.0
173.12944	1.7
175.11926	1.6
184.16937	11.0
187.14423	2.9
194.77400	0.9
202.17963	1.2
209.11694	1.5
212.16548	2.1
236.16417	2.4
249.07849	1.8
254.17554	3.7
265.94040	1.4
267.08774	1.3
272.18570	23.6
273.18866	1.6
281.93869	1.1
290.02554	1.3
290.19611	100.0
290.94815	2.7
291.19882	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	290.2481
Annotation	17a-Aza-D-homoandrost-5-en-3beta-ol
Peak:m/z	Relative Intensity
53.09915	1.2
55.05510	6.8
57.07082	2.0
58.02946	5.4
65.03938	1.2
67.05174	1.6
67.05509	27.3
69.07053	3.0
70.06583	2.6
70.69975	2.2
74.33084	1.1
78.81375	1.1
79.05495	7.7
81.07056	29.1
83.08570	1.4
88.07635	2.7
91.05474	4.5
93.07043	7.4
95.08610	23.5
96.08106	4.3
98.06059	47.4
105.07023	2.3
107.08567	3.8
109.10133	9.5
110.06020	2.4
112.07573	3.4
121.10143	3.2
122.07646	1.1
123.11701	2.6
124.07594	34.4
138.09108	3.6
152.10695	2.9
154.12328	1.8
166.12234	2.2
168.13803	2.0
182.15424	3.6
194.15382	1.6
196.16948	5.4
208.17029	1.6
210.18451	2.9
234.18607	2.0
242.24821	3.1
248.20135	2.9
269.33066	1.3
272.59155	1.2
290.24722	100.0
290.81131	1.5
291.25079	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	291.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
56.05028	5.2
56.96566	5.2
57.03428	3.5
58.06594	3.8
60.04528	17.4
66.41885	3.1
67.05506	5.0
69.07062	8.2
70.06583	8.6
70.24606	6.9
70.24962	4.1
70.55466	3.1
71.04993	5.8
72.08160	42.3
74.06076	12.7
75.05593	4.9
79.05517	4.7
81.07067	7.1
84.08139	13.0
85.02912	5.1
86.09713	90.4
87.05598	7.6
87.10047	11.5
93.07037	3.1
95.04963	4.0
95.08605	12.6
98.09709	12.4
98.97576	6.0
101.07136	7.0
112.07630	5.0
116.98627	3.8
117.72267	2.9
119.04994	5.7
120.06593	4.6
123.08121	3.1
128.10724	9.0
129.09111	4.7
143.11801	28.5
147.04401	22.7
156.13831	6.4
171.11304	3.8
173.12874	63.9
174.13217	9.3
184.17017	11.6
187.14461	27.1
188.14850	5.6
201.12367	13.6
202.12741	4.3
204.10251	10.2
215.13919	9.1
239.70934	3.1
254.17551	4.7
272.18600	19.4
273.18863	5.4
275.17557	4.7
290.19620	100.0
291.01254	6.7
291.08383	21.1
291.20041	28.6
292.20096	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.67268	0.2
54.51799	0.2
55.01872	1.3
56.96556	0.3
61.63419	0.3
65.03939	0.8
67.01862	0.3
67.05489	2.0
68.99778	2.2
69.03431	0.3
69.49566	1.2
69.58197	0.2
81.07065	0.4
83.04983	1.5
83.05449	0.2
85.02904	0.7
91.05482	1.7
93.03393	1.3
95.04974	3.5
97.02901	0.4
98.97596	0.4
98.98491	0.6
99.04453	0.3
105.03389	0.7
105.07024	0.5
107.04981	0.7
109.85438	0.3
111.00803	0.4
111.03738	0.4
111.04427	3.0
115.05427	1.0
119.04929	6.1
121.02937	0.4
123.04420	65.8
124.04763	1.6
125.04920	0.4
127.03902	1.2
133.06468	1.1
135.04391	0.9
137.02335	1.0
137.05952	0.8
139.03889	100.0
140.04211	2.0
143.04907	2.9
147.04395	21.2
148.04721	0.3
149.05908	0.4
151.03882	2.7
151.07536	0.5
153.05476	1.0
161.05968	7.5
163.03900	1.4
163.07503	0.3
165.05475	14.0
169.04922	1.0
177.05460	0.8
179.07033	2.8
181.04964	1.0
189.05444	2.4
207.06514	6.0
249.07539	1.1
273.07452	1.0
290.22275	0.9
291.08539	6.8
291.22897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.01613	0.9
51.67549	0.8
53.03927	1.2
55.01869	1.9
55.05515	8.7
57.03414	1.5
57.07068	2.9
59.04996	2.6
67.05502	4.9
69.03412	3.0
69.07062	2.1
69.38808	0.8
70.23283	2.4
71.04988	4.1
72.31125	1.0
76.01402	0.9
79.05499	14.8
81.07061	8.1
83.04984	3.2
83.08620	10.8
85.02895	1.7
85.06530	2.9
86.91051	0.9
91.05469	5.3
91.74612	0.8
93.07043	13.4
95.04977	6.8
95.08608	19.1
97.06532	6.1
105.07041	11.4
107.04953	15.9
107.08588	10.9
109.06512	8.3
109.10158	3.8
111.08079	41.9
113.09673	2.8
117.07026	2.1
119.08572	10.6
121.06494	2.1
121.10151	8.2
122.07222	1.4
123.08069	42.5
123.11687	1.3
125.05952	1.2
125.09637	2.4
129.07011	1.7
131.08568	6.1
133.06479	2.9
133.10120	10.9
135.08095	6.4
135.11676	2.6
137.09636	2.7
141.05502	1.0
142.07806	1.5
142.83458	1.1
143.08566	2.4
145.10129	5.6
147.08054	2.2
147.11670	6.5
149.09616	7.5
151.07544	100.0
152.07857	2.5
155.10680	3.9
156.09366	1.6
157.10129	5.1
159.08032	1.9
161.09671	2.8
163.11183	4.1
165.09177	1.1
167.10672	1.5
169.10078	1.5
169.12277	1.9
171.11687	3.5
173.09578	1.7
173.13280	7.8
174.10382	1.7
175.11188	5.0
177.09174	2.1
179.10677	4.7
181.12225	2.5
185.12982	1.1
187.14789	1.4
189.12738	26.0
190.13234	1.4
191.10503	0.9
191.14291	18.5
192.11404	4.4
193.12199	1.0
197.11722	17.8
197.13312	2.7
199.11159	1.6
207.13802	66.1
208.14137	1.8
209.84088	1.1
211.13264	2.6
213.16275	1.7
215.14365	4.5
217.12253	2.7
231.17337	1.6
233.15356	62.9
234.15817	2.6
235.13260	1.8
236.15549	1.0
249.18416	2.0
255.17451	2.7
268.83633	1.0
273.18500	7.7
291.19540	77.3
292.19934	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	3.0
55.01865	11.8
55.05513	22.6
57.03455	2.1
67.05506	20.5
69.07051	7.4
69.30954	9.6
69.31333	4.3
69.37164	2.0
71.04996	3.9
77.15733	2.3
79.05490	44.6
81.07054	47.3
83.04974	3.6
83.08628	5.1
84.38584	2.0
84.95268	2.1
89.82690	2.1
91.05482	27.1
93.07037	26.6
95.04971	18.1
95.08600	13.1
97.06543	3.4
97.10151	9.3
99.42297	2.3
105.03414	4.8
105.04562	2.8
105.07024	14.4
107.04955	19.3
107.08579	10.1
109.06503	7.5
109.10152	5.4
111.02213	3.0
111.04430	2.4
113.05940	2.6
115.05444	3.9
117.07022	21.6
119.08582	30.3
120.30296	2.4
121.06514	20.2
121.10136	7.0
123.08073	4.3
125.09624	12.0
129.07019	9.1
131.08553	14.2
133.06497	7.5
133.10097	2.8
135.08026	11.5
135.11748	3.9
141.06963	2.2
143.08559	5.2
145.10136	18.8
147.08063	21.6
149.09599	5.9
157.10132	7.1
159.08067	3.8
159.11787	4.7
161.09634	8.7
171.11691	3.9
173.09622	3.5
185.13211	4.1
187.56764	2.7
189.11205	4.7
212.83749	2.2
213.12761	3.1
223.13350	6.4
227.18002	3.2
249.14923	15.3
255.17409	5.2
273.18460	49.0
289.52448	2.2
291.19559	100.0
291.22885	5.1
292.19910	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.01606	0.7
51.02371	1.2
53.03942	1.9
55.01876	2.3
55.05509	18.2
57.03444	0.7
57.07073	2.9
59.04982	0.7
65.03951	1.4
67.05505	36.8
68.05851	0.8
69.07068	17.9
69.26768	3.0
71.04971	0.8
72.19050	0.5
73.06560	0.8
77.03931	2.0
79.05493	72.4
80.05843	1.0
81.07056	46.9
83.04985	1.6
83.08624	8.8
84.68856	0.6
85.06552	3.8
91.05476	28.6
93.07043	100.0
94.07376	1.9
94.14041	0.6
95.04971	7.6
95.08605	32.2
97.06531	3.2
97.10178	4.6
98.22701	1.4
99.08085	1.7
105.04558	3.2
105.07030	16.6
107.08591	58.8
107.99721	0.6
108.08924	1.9
109.06536	2.3
109.10155	16.1
110.10482	0.6
111.08071	1.1
111.11735	0.7
117.06979	3.4
119.06033	1.2
119.08577	14.6
121.06538	0.9
121.10143	53.7
122.10475	0.8
123.08087	2.5
123.11694	4.5
125.09635	1.6
127.07485	0.6
129.07024	2.6
131.08574	6.3
133.10130	15.6
135.08058	2.8
135.11690	57.8
136.12025	1.2
137.09612	3.6
137.13255	0.9
139.11172	1.1
143.08563	1.9
145.10123	3.9
147.11690	12.9
149.09639	2.9
149.13251	33.7
150.13618	1.0
151.11174	1.1
157.10133	3.1
159.11710	5.4
161.09610	1.4
161.13245	8.3
162.13637	0.7
163.11169	3.7
163.14803	11.8
165.12750	1.4
171.11708	3.9
173.13306	3.7
175.11215	2.3
175.14833	6.2
177.12775	2.4
177.16365	1.3
179.14346	1.3
181.12276	1.1
185.13281	4.4
189.12729	2.6
189.16316	0.7
195.13771	1.2
199.14804	2.3
203.14328	1.9
207.13809	1.4
209.15399	2.6
213.16470	3.2
215.17950	0.7
217.15826	1.2
217.19456	2.9
221.15347	1.0
231.17407	1.4
231.20987	1.6
235.16882	2.7
241.19467	6.1
249.18576	3.1
259.20551	11.0
291.23157	77.5
292.23462	3.7
295.77072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26526	2.8
56.96566	5.7
60.04533	39.2
68.72160	2.8
69.69954	7.5
69.70361	7.3
70.02966	5.1
70.90871	2.9
71.31432	2.9
72.08163	8.8
74.40614	3.0
85.04041	4.3
85.86333	3.1
92.91635	3.3
98.23435	4.0
98.97592	19.4
98.98495	4.7
115.05074	10.8
116.98616	12.9
118.06532	13.6
122.98727	3.2
124.61741	3.1
127.84999	2.9
130.06541	17.8
132.08083	19.0
134.99634	4.7
142.06525	3.6
144.08118	13.3
146.06001	59.9
146.36853	3.2
147.04419	9.9
159.09187	9.7
170.06029	5.3
183.09286	3.6
187.08694	6.5
188.07086	100.0
204.10144	12.3
205.09718	53.6
246.12413	9.1
250.69365	3.6
274.20016	5.2
292.12891	25.7
292.20346	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	292.2636
Annotation	17beta-Amino-5alpha-androstan-11beta-ol
Peak:m/z	Relative Intensity
51.11128	0.5
55.05315	1.2
55.05604	6.8
57.03535	2.6
57.07147	0.9
58.06696	3.6
61.24791	0.5
65.04032	0.5
67.05224	1.0
67.05605	3.0
67.30434	0.6
69.07172	6.5
69.46314	0.6
69.68461	1.3
69.68865	0.8
70.44518	0.6
71.05083	0.6
72.08233	0.7
79.05605	4.5
81.07165	4.6
83.08746	4.4
85.06621	0.8
91.05603	45.1
92.05369	0.6
93.07166	6.4
94.16980	0.6
94.43285	0.7
95.05125	0.8
95.08097	0.9
95.08731	3.6
97.10301	2.9
105.07163	9.4
107.08738	2.7
109.01837	0.5
109.06635	0.9
109.10233	0.9
111.11842	0.7
117.07016	5.4
119.08723	3.7
121.10279	1.9
123.08154	0.8
129.07098	1.1
131.08572	10.4
133.10269	2.0
135.11774	0.8
143.08659	0.9
145.10245	2.3
147.04572	1.0
147.11833	2.6
159.11775	1.5
161.13347	0.6
163.11285	0.6
185.13382	2.3
187.78038	0.6
201.16394	1.2
203.14330	1.3
219.17412	3.9
221.15454	2.4
221.48302	0.6
223.80754	0.7
257.19006	1.3
274.25287	100.0
275.10904	0.5
275.20166	7.6
275.25803	3.8
292.26321	45.3
293.21045	1.7
293.26627	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	292.2638
Annotation	17beta-Amino-5alpha-androstan-11beta-ol
Peak:m/z	Relative Intensity
51.67090	0.5
56.98512	0.5
70.55374	0.9
76.41488	0.5
79.05510	0.6
80.94857	0.9
81.07092	0.6
82.15040	0.5
82.94541	0.8
86.03560	0.6
91.07475	0.5
93.07030	0.6
95.04992	0.7
98.97595	0.7
108.08138	0.9
109.08904	2.9
116.98673	0.7
137.08360	17.4
150.09131	3.1
177.05447	1.1
178.06256	0.9
218.52890	0.6
222.65799	0.6
233.11838	1.7
238.88954	1.3
292.26343	100.0
293.21140	1.9
293.26636	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97691	2.2
63.72093	2.2
69.57700	4.9
69.58089	5.7
82.93330	2.1
126.99036	2.4
143.01959	3.1
161.99480	5.6
293.06308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.07086	1.0
67.05507	3.7
69.03449	0.7
69.07066	2.9
70.06577	0.8
71.04978	1.5
71.63482	0.6
71.68408	0.6
72.08168	1.3
79.05487	2.5
81.07057	8.4
82.97701	0.6
83.04987	0.9
83.08617	1.2
84.08136	1.7
85.06573	0.9
85.66166	0.6
86.09708	100.0
87.10030	1.4
91.05494	2.3
93.07044	3.0
95.04971	1.5
95.08617	6.0
97.10182	0.8
97.80559	0.6
98.98445	1.0
103.05455	1.7
105.07049	1.8
107.08611	2.1
109.06570	0.8
109.10136	3.0
111.08063	0.8
112.05621	0.6
113.06037	0.8
119.08627	0.8
120.08106	95.1
121.06506	3.7
121.08433	2.0
121.10118	1.5
121.37773	0.6
123.11686	2.8
131.04895	1.3
131.08557	1.1
133.10146	1.5
135.08073	1.2
135.11633	0.9
137.13284	3.2
147.04395	1.7
147.08047	1.6
147.11742	0.7
148.04791	1.3
149.02353	0.9
159.11719	1.0
162.89351	0.5
163.07520	2.6
173.13303	0.7
180.10196	82.2
181.10539	2.8
194.49043	0.6
195.13826	0.6
205.10513	1.1
215.07068	1.5
233.08076	1.0
233.16449	2.4
275.20062	1.8
293.13495	1.7
293.18787	4.2
293.21185	1.5
293.24545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2115
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.15361	1.5
53.03937	4.7
53.20944	1.3
55.01872	8.6
55.05298	1.6
55.05516	22.3
57.03429	4.2
57.07070	1.9
59.04989	4.5
65.03927	2.7
67.05508	46.5
67.05861	3.4
69.07069	20.4
69.21852	9.4
71.04979	4.3
71.08615	1.5
72.08146	2.1
79.05496	39.9
81.03414	5.5
81.07059	80.0
83.04978	5.3
83.08631	10.3
84.08160	2.4
85.02923	1.9
85.06557	3.1
86.09698	2.4
91.05486	32.0
93.07047	30.4
95.04966	14.4
95.08611	31.4
95.75000	1.5
97.06533	18.1
97.10173	6.3
99.08092	3.7
100.11299	1.6
101.06022	52.1
102.31892	1.6
105.07035	29.5
106.62668	1.5
107.04967	9.9
107.05559	1.7
107.08599	28.6
109.06518	22.6
109.10155	17.7
111.08093	5.1
113.05970	1.5
113.38873	1.5
117.07027	8.9
119.08583	27.5
121.06496	7.3
121.10147	19.0
123.08077	7.7
123.11716	8.9
125.09637	4.2
131.08572	16.7
133.06442	3.7
133.10132	23.7
135.08029	6.5
135.11682	10.5
137.09586	7.4
137.13243	2.1
139.11194	1.8
141.07114	2.5
143.08545	2.9
145.06500	2.2
145.10130	15.2
147.04413	2.5
147.11694	20.0
148.04761	3.2
149.02380	4.3
149.09619	19.6
149.13251	6.3
151.11168	8.6
157.10156	3.2
159.11719	12.0
161.09627	2.3
161.13214	2.8
163.11212	13.5
163.14787	2.7
165.09106	3.9
165.12682	3.9
169.10123	3.4
171.11684	3.6
173.09558	1.9
173.13272	6.7
175.11165	3.6
175.14835	3.2
177.12758	3.2
183.11682	2.3
187.11147	2.2
197.13310	2.2
199.14784	2.6
201.12842	2.0
205.10498	2.1
229.19519	5.8
239.17873	7.8
247.20605	5.6
257.19009	14.9
257.37695	1.7
275.20068	100.0
276.20389	4.2
293.13522	4.6
293.17358	6.7
293.21008	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	293.2114
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.05513	10.9
67.05503	19.2
69.07075	6.7
70.41594	6.8
71.45541	6.9
72.58828	6.0
76.67281	6.0
79.05505	36.8
80.94805	7.8
81.07058	100.0
87.04488	5.8
91.05489	18.0
93.07017	12.7
93.89214	5.3
95.04967	30.7
95.08594	13.0
98.97588	13.3
101.06068	12.0
105.07027	9.5
107.08582	13.1
109.06524	53.9
116.98626	6.8
119.08574	13.0
121.10120	10.6
133.10098	9.4
135.00278	13.8
139.36185	6.2
147.11668	9.8
149.09663	5.6
159.11720	9.6
163.11183	8.5
165.12791	9.5
193.12196	7.4
214.05585	7.2
238.88835	31.7
246.89134	7.1
256.31711	5.6
264.90573	10.3
275.16769	5.0
275.19931	32.6
292.27560	7.7
293.21014	52.8
293.27625	13.3
294.27814	44.1
306.72318	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01877	10.8
55.05506	19.3
56.52808	5.8
57.03439	10.4
57.20788	6.4
58.22858	5.0
62.98269	6.9
65.03934	4.5
67.05506	54.1
69.07077	19.4
69.45761	24.3
71.04996	6.2
79.05495	41.5
81.03444	6.6
81.07058	79.4
83.08629	18.6
90.49815	5.0
91.05482	42.8
93.07043	46.5
95.04971	64.9
95.08599	34.2
97.06512	11.0
97.10172	11.6
98.22701	5.9
98.97568	12.7
98.98447	6.6
105.07048	34.8
107.04971	9.6
107.08609	24.6
109.06535	24.0
109.10157	15.3
111.08118	10.6
116.16708	5.5
117.07075	10.1
119.08570	31.6
121.10172	18.7
123.08054	10.7
129.07024	6.0
131.08569	16.0
131.70462	5.7
133.10139	20.5
135.00368	8.8
135.11702	8.2
137.09584	7.4
143.33206	5.8
145.10118	19.4
147.11717	18.4
149.09651	14.7
151.11246	7.8
157.10219	5.9
159.11711	12.6
163.11212	16.8
178.95992	5.3
185.13252	9.1
187.11174	8.6
219.17445	13.3
221.15355	7.0
223.13312	24.1
223.53093	6.3
230.23868	8.0
233.63261	5.7
238.88832	17.4
247.20604	8.3
257.18985	10.8
264.90347	6.5
275.20026	100.0
276.20285	9.6
292.27451	14.0
293.21060	68.0
293.27698	18.6
294.14963	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	5.3
55.01871	10.5
55.05512	17.2
57.03434	2.8
57.07051	1.6
65.03951	2.1
67.05158	2.4
67.05506	38.7
69.03425	2.4
69.07068	18.0
69.63668	4.7
71.04997	2.9
75.51682	1.3
77.03934	1.6
79.05496	41.8
81.03400	7.4
81.07058	100.0
83.04993	6.2
83.08620	14.1
85.06541	3.6
91.05482	27.8
93.07048	25.1
95.04966	15.7
95.08608	22.9
97.06531	10.4
97.10181	5.4
97.23306	1.4
99.08101	2.9
103.05518	1.5
105.07027	27.4
105.23627	1.3
107.04974	10.4
107.08598	24.9
109.06521	42.0
109.10150	10.2
110.06829	1.6
111.08076	5.5
117.07019	8.0
119.08576	20.7
121.06503	4.8
121.10123	14.1
123.08064	10.2
123.11730	4.5
125.09649	3.9
129.07025	2.7
131.08582	11.0
133.06459	1.7
133.10143	17.3
135.08067	3.8
135.11687	6.9
137.09615	5.6
139.07608	1.8
143.08623	2.0
145.06448	1.2
145.10141	9.7
145.88498	1.2
147.08058	1.6
147.11687	16.1
149.09607	10.4
149.13290	3.6
151.07579	2.2
151.11198	5.3
152.07930	2.0
153.08157	1.4
155.08542	1.5
157.10121	4.3
159.11703	7.1
161.02495	1.2
161.09628	1.9
161.13292	3.7
163.11160	8.7
165.12744	4.5
171.11606	2.1
173.09677	2.4
173.13252	3.4
175.11243	4.4
175.14774	1.9
177.12750	3.6
187.14845	1.5
191.14420	1.4
193.12254	4.4
205.15932	1.5
207.13779	1.7
208.14174	1.8
219.17477	1.5
229.19601	2.9
235.16022	1.8
239.17914	3.6
247.20511	4.0
257.18985	9.3
275.20053	59.8
276.20404	3.4
293.21100	49.2
294.21295	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.08282	0.9
53.03944	1.8
55.01873	4.3
55.05509	11.6
57.07067	2.3
61.93459	0.9
64.59945	0.7
65.03954	1.2
67.05505	27.0
69.03432	0.8
69.07069	22.9
69.69279	2.1
69.69633	1.5
71.04978	2.4
79.05491	17.3
81.07058	33.7
83.04975	5.4
83.08624	4.5
85.06522	1.5
91.05481	17.7
93.07045	22.2
95.04969	9.5
95.08605	20.2
97.06489	4.5
97.10177	2.8
99.08085	1.2
105.07032	25.7
107.04947	5.7
107.08589	14.5
107.09261	1.4
109.06525	11.4
109.10172	8.2
111.08089	1.4
117.07031	5.8
119.08590	11.7
121.06514	8.2
121.10162	9.6
123.08098	5.0
123.11720	2.4
129.07019	2.0
131.08557	14.1
133.06546	2.3
133.09183	1.4
133.10130	17.2
135.08031	4.7
135.11674	4.0
137.09618	2.5
141.06987	1.0
143.08560	2.4
145.06476	1.9
145.10118	11.2
147.08051	3.4
147.11696	12.5
149.09634	6.1
149.13232	2.6
151.11145	6.5
155.08563	2.1
157.10136	3.0
159.07965	1.2
159.11705	5.6
161.09625	3.4
161.13268	2.9
163.11140	4.6
165.12712	1.3
169.10098	1.2
171.11717	2.0
173.09630	2.0
173.13217	4.1
175.11218	1.9
175.14801	1.1
176.52817	0.8
177.12776	2.5
179.14325	0.9
183.11682	2.4
183.13213	0.9
185.13271	1.1
187.11092	1.1
187.14830	1.2
189.12688	1.7
191.14304	2.6
197.13243	2.0
201.12706	2.7
207.13779	3.3
215.14282	1.4
215.17935	1.6
219.13857	6.2
219.17360	0.8
222.38727	0.9
229.19502	2.4
239.18030	2.9
247.20575	3.2
257.18991	14.6
275.20059	100.0
276.20422	5.3
293.17960	1.8
293.21109	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03950	10.9
55.01863	7.1
55.05514	12.4
61.40287	3.6
64.68200	3.6
67.05501	23.5
69.07072	29.2
70.61609	6.9
79.05505	20.4
80.94844	5.4
81.03431	36.1
81.07050	39.5
83.04967	6.2
83.08621	4.7
91.05457	22.8
93.07066	20.1
95.04983	17.1
95.08607	19.9
97.06570	8.0
97.99580	3.3
98.97556	4.4
101.06020	4.1
105.07040	22.5
107.04960	10.5
107.08591	14.2
109.10146	7.0
116.98604	4.0
117.07012	7.1
119.08604	10.5
121.06529	4.6
121.10168	10.5
123.08062	7.7
124.50286	3.9
125.09653	5.0
125.94394	3.2
131.08617	5.9
133.10167	10.6
135.00421	4.2
135.07986	4.1
135.11696	9.4
145.10146	9.9
147.11668	3.9
149.09615	8.6
151.11221	5.3
159.11693	8.2
163.11201	9.4
179.14354	12.6
187.11284	3.6
233.11285	3.6
238.51930	3.9
238.88846	12.5
250.98122	4.0
264.87872	4.5
264.90576	5.2
275.20020	37.2
293.21109	100.0
293.27704	12.7
296.34497	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.33419	3.5
55.01872	11.0
55.05511	19.5
56.02545	3.7
67.05502	35.9
69.07075	19.2
70.57697	6.8
71.04971	4.9
79.05486	38.3
80.94837	6.4
81.03408	7.6
81.07056	100.0
81.98476	3.8
83.04981	9.3
83.08627	16.7
83.53188	4.3
85.66987	3.6
91.05472	26.6
93.07076	24.8
95.04984	16.0
95.08600	23.2
97.06532	13.4
98.97609	4.8
105.07026	25.5
107.04979	7.3
107.08590	25.0
109.06513	52.0
109.10139	9.7
110.90313	3.4
111.08080	7.9
116.98664	5.0
117.07008	7.9
119.07874	3.9
119.08582	25.3
119.09387	3.6
121.06485	6.8
121.10157	12.2
123.08091	11.6
123.11734	8.0
125.09654	4.8
131.08591	15.6
133.10115	20.2
135.00334	9.6
135.08046	7.2
135.11726	7.6
137.09677	5.0
138.00677	4.1
145.06522	4.9
145.10104	11.2
147.08113	4.2
147.11685	13.7
149.09641	11.0
149.13231	9.3
157.10049	8.2
159.11739	8.9
163.11227	12.9
163.14760	4.6
165.12706	6.6
173.09596	4.9
173.13287	4.8
180.52069	3.7
191.10629	4.8
237.11278	4.7
238.88910	13.4
246.89496	6.6
247.20618	7.0
253.18953	4.3
257.19077	8.2
275.20035	67.2
279.91342	4.0
293.21115	72.9
314.23425	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03932	4.1
55.01873	55.5
55.05508	20.1
57.07072	11.7
58.10809	2.0
67.05504	31.2
69.07071	14.3
70.18176	2.3
73.31139	2.0
79.05489	33.4
81.03403	2.7
81.07061	37.8
83.04979	10.9
83.08619	6.7
85.06537	2.8
88.13402	2.1
91.05492	20.9
93.07030	25.5
95.04955	10.7
95.08611	15.2
97.02885	3.1
97.06529	100.0
97.10173	5.8
99.08118	2.2
105.04516	2.6
105.07040	21.7
107.04955	20.8
107.08578	19.4
109.06512	14.1
109.07124	2.4
109.10149	9.2
111.04434	8.5
111.08064	2.7
117.07019	6.0
118.99719	1.9
119.08571	12.5
121.06469	4.3
121.10130	10.8
123.08057	4.6
123.11695	3.6
125.09633	8.9
127.71831	2.1
129.06915	2.3
131.08559	8.3
131.15456	2.0
133.10117	13.7
135.00272	2.4
135.08022	6.2
135.11684	6.3
137.09592	4.8
145.10104	6.4
147.11693	8.8
149.09624	24.3
149.13136	2.0
151.11142	4.9
153.05453	5.9
153.09042	2.3
154.04308	1.9
159.11690	6.6
161.09659	2.3
161.13234	2.3
163.11147	7.4
163.14856	3.0
165.09103	2.6
171.10173	2.3
171.11699	2.5
172.86131	2.1
173.13167	4.1
177.12721	3.2
179.14291	6.1
181.04996	5.1
187.11201	2.4
189.11191	4.7
191.10678	7.3
191.88210	2.5
209.11702	16.1
229.19550	6.5
237.11198	25.2
247.20598	6.9
257.18976	8.2
275.20056	63.6
276.20432	3.3
293.17841	2.3
293.21048	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.6
55.01871	11.2
55.05512	25.0
57.03437	3.3
57.07074	2.8
59.05003	1.7
62.46705	0.7
65.03940	1.8
67.05505	45.9
69.03432	3.1
69.07069	26.1
69.07446	1.4
69.80315	2.3
71.04982	4.2
72.08154	1.4
72.81876	0.8
77.03953	1.3
79.05494	37.4
81.03429	6.5
81.07055	76.2
82.07388	1.2
83.04975	7.5
83.08617	16.6
85.06519	3.9
91.05481	32.8
93.07043	35.2
95.04975	16.1
95.08601	29.8
97.06532	15.7
97.10174	6.9
98.23423	0.9
98.98480	0.9
99.08093	2.6
103.05482	1.1
105.04485	1.3
105.07030	32.9
107.04946	9.1
107.08591	31.6
108.08952	0.7
109.06518	20.1
109.10155	18.6
111.04496	0.7
111.08096	5.6
113.06023	1.7
115.05508	1.1
116.06238	0.9
117.07014	10.7
119.06058	1.0
119.08577	27.0
120.08119	1.2
121.06496	6.2
121.10143	20.4
123.04410	2.3
123.08085	8.4
123.11703	7.6
125.06026	0.9
125.09614	8.5
127.07556	1.0
127.11189	1.1
129.06995	2.5
131.08562	13.6
133.06461	2.2
133.10132	23.9
135.08058	7.2
135.11696	9.8
137.09612	7.7
137.13257	2.0
139.11197	3.0
141.06989	1.6
143.08571	3.4
145.06483	2.7
145.10121	15.9
147.04384	1.3
147.08055	3.4
147.11676	18.8
148.04785	0.9
149.09612	16.6
149.13249	4.9
151.11174	7.7
151.14755	0.9
153.09138	2.2
155.08583	1.9
157.10149	4.3
159.08038	0.9
159.11691	12.8
161.09642	2.7
161.13240	5.7
163.11176	13.0
163.14850	2.0
165.09077	4.5
165.12733	3.7
167.14333	1.2
169.10126	2.6
171.11710	3.3
173.09601	1.9
173.13254	7.0
175.11200	3.7
175.14818	1.3
177.12787	3.4
179.10712	2.1
179.14375	2.3
181.12248	1.4
183.11778	1.4
185.13365	1.3
187.11208	2.8
187.14862	2.7
189.11247	2.4
189.12775	2.3
191.14319	2.7
193.12195	1.4
197.13329	2.5
201.12759	2.4
201.16415	1.5
205.12320	1.0
207.13808	1.2
213.16397	1.4
215.14319	1.2
215.18042	1.8
219.13768	1.5
219.17352	1.9
223.13205	1.1
229.15924	1.0
229.19460	5.2
233.15457	1.1
233.19034	1.4
239.17937	8.0
247.20560	6.1
257.18988	14.3
265.21722	2.2
275.20059	100.0
276.20477	3.6
293.13934	1.4
293.17361	4.1
293.21027	37.4
293.28253	1.5
294.21454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	3.7
55.01873	7.1
55.05511	18.9
57.03442	2.0
62.62559	0.9
65.03945	1.7
67.05508	35.7
69.03443	1.8
69.07068	15.8
69.45940	4.1
71.04988	2.9
74.65646	1.1
75.70151	0.8
79.05494	30.0
79.07027	0.9
81.03415	5.0
81.07061	46.2
83.04982	4.2
83.08630	9.6
85.06545	2.4
91.05479	22.5
93.07048	24.8
95.04971	9.2
95.08608	21.2
97.06534	13.6
97.10162	10.7
105.07031	27.0
107.04948	6.6
107.08597	36.9
108.29169	1.1
109.06529	12.1
109.10158	12.1
111.08083	2.6
111.11686	1.2
117.07010	8.8
119.08591	19.1
121.06516	4.2
121.10164	10.2
123.08083	6.4
123.11707	4.0
125.09625	9.8
129.07016	2.7
131.08563	11.9
133.06483	2.2
133.10135	18.5
135.08049	5.1
135.08932	1.0
135.11685	5.3
137.09569	5.0
137.13208	1.5
143.08572	1.5
145.06523	1.4
145.10123	9.6
147.11696	13.5
149.09621	15.4
149.13268	2.9
151.11192	6.2
153.09114	1.4
155.08571	1.9
157.10144	3.0
159.11699	8.2
161.09721	2.1
161.13286	5.6
163.11198	8.6
165.09138	3.8
165.12750	3.5
169.10272	1.5
171.11726	2.4
173.09607	1.6
173.13260	5.2
175.11206	2.2
177.12767	3.6
179.14240	1.3
181.53802	1.0
183.11702	1.9
187.11206	1.6
187.14799	2.1
189.11205	6.2
191.14333	1.7
193.12257	1.7
199.14796	1.3
201.12683	1.8
205.12321	1.5
213.16405	1.6
215.14241	1.4
229.19403	6.2
233.15262	1.5
233.18948	1.6
239.15811	1.1
239.17911	6.2
247.20549	6.7
257.19034	12.5
275.20065	100.0
276.20331	3.6
293.17914	2.1
293.21091	26.6
307.00296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01873	2.7
55.05510	14.9
57.03439	30.7
57.07098	2.2
57.76081	2.2
58.00260	2.3
67.05507	26.3
69.07083	11.3
69.49777	4.9
69.50152	5.8
71.04980	2.9
79.05494	46.8
81.07053	38.7
83.04973	3.5
83.08616	10.7
85.06547	8.6
85.58739	2.3
91.05480	45.2
93.07045	67.9
95.04955	9.1
95.08612	24.7
97.06504	3.8
104.91121	2.1
105.07034	45.1
107.04951	4.1
107.08592	32.1
109.06513	9.3
109.10154	7.2
111.08040	4.1
117.07008	16.1
119.08578	34.6
121.06497	5.2
121.10144	17.4
123.08073	4.2
129.06987	6.2
131.08574	19.4
133.10136	28.0
135.08043	3.6
135.11694	6.0
137.09604	5.1
143.08556	9.7
145.10129	18.7
147.11681	18.5
149.09641	9.8
149.13228	2.9
151.11139	2.9
157.10147	3.9
159.11729	18.1
161.13266	12.5
163.11211	3.7
171.11745	2.9
173.13261	7.8
175.11087	3.0
175.14842	5.6
177.05475	21.8
177.12804	3.8
178.06274	21.5
183.11649	3.2
185.13261	27.3
191.07031	4.8
201.16341	8.3
203.14316	23.6
205.12047	2.8
211.14769	3.1
219.14012	2.5
219.17424	53.6
221.15376	26.5
233.11691	27.6
238.88927	3.9
239.17989	7.5
257.18988	22.1
275.20056	100.0
276.20526	3.3
293.21060	11.9
294.27869	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.59010	4.4
55.01857	15.2
55.05516	22.8
57.07069	19.3
60.03680	4.5
65.35294	4.3
67.05512	22.8
69.07056	13.3
79.05502	24.1
80.94851	16.6
81.03408	9.2
81.07053	43.6
83.04966	10.7
83.08613	12.9
88.02583	5.0
89.06009	4.6
91.05470	19.7
92.05502	4.5
93.07043	19.4
95.04411	8.0
95.04971	100.0
95.08601	17.1
97.06527	11.1
97.10131	5.2
98.97569	8.1
105.06997	12.2
107.04938	12.1
107.08574	14.9
109.06524	12.2
109.64053	4.3
109.86835	4.5
111.04478	9.9
112.97861	3.9
115.12559	4.4
117.07020	6.4
119.08571	13.4
121.06539	6.8
121.10086	7.6
125.09647	6.3
131.08563	7.3
133.10088	5.1
135.00293	8.6
135.11685	8.4
145.10127	12.7
147.08119	6.3
147.11638	10.0
149.09598	17.6
151.11174	6.1
153.05382	5.2
163.11241	29.4
178.97536	4.5
181.04900	6.7
184.66530	5.1
191.10652	15.2
205.12250	6.1
209.11729	20.2
223.13286	28.5
237.11243	39.7
238.88828	20.7
257.19009	5.7
275.19986	29.9
293.21091	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01857	2.9
55.05511	11.9
57.03430	1.3
57.07056	2.8
67.05160	1.5
67.05505	22.9
69.07069	18.6
69.49947	3.8
71.04990	1.6
77.41850	0.9
79.05495	14.3
81.07062	26.0
83.04989	7.0
83.08592	5.5
88.34362	0.9
91.05483	15.1
93.07042	20.8
95.04966	7.2
95.08611	15.6
97.06521	2.8
97.10162	2.5
105.07034	23.0
107.04928	5.4
107.08589	13.0
109.06523	9.5
109.10172	8.1
111.08070	1.6
117.07047	5.1
119.08582	10.6
121.06513	8.9
121.10156	8.5
123.08054	3.8
123.11710	3.0
125.09575	1.1
129.07022	1.9
130.07901	0.9
131.08568	12.0
133.06482	1.8
133.10124	14.2
135.08037	3.9
135.11671	3.7
137.09633	2.4
142.07816	1.1
143.08562	1.3
145.06421	1.1
145.10124	8.7
147.08075	2.8
147.11667	10.1
149.09608	4.5
149.13251	1.4
151.11179	7.8
157.10101	3.4
159.08073	1.2
159.11707	5.6
161.09572	1.9
161.13268	1.9
163.11153	4.9
165.12819	1.1
171.11662	2.3
173.09599	1.4
173.13274	4.2
175.11185	2.9
175.14822	1.1
177.12697	1.5
179.14352	1.7
183.11739	2.8
187.11218	1.5
191.14275	1.6
197.13289	1.8
201.12683	1.8
203.14220	1.1
207.13901	2.2
219.13797	5.0
229.19516	2.6
233.18813	1.1
239.17937	2.2
247.20534	3.5
257.19037	13.2
258.19424	1.5
265.21698	1.2
275.20062	100.0
276.20367	4.2
293.21112	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03955	23.8
55.01871	32.3
55.05509	37.5
57.03430	4.9
57.07081	13.0
65.03954	3.6
67.05509	56.8
69.07072	51.8
69.99507	8.0
71.04984	3.5
71.08627	3.8
79.05499	45.1
81.03421	55.6
81.07056	99.2
83.04976	16.5
83.08622	14.7
85.06583	4.5
91.05486	63.8
93.07050	51.9
95.01341	13.8
95.04970	31.9
95.08618	48.4
97.06540	32.4
97.10168	7.6
105.07032	100.0
107.04961	32.8
107.08607	26.1
108.00945	2.9
109.06539	12.6
109.10165	8.6
111.04447	9.6
111.08102	4.1
117.07017	17.2
119.08582	44.0
121.06535	7.8
121.10159	14.5
121.70506	3.6
123.08114	15.4
123.11674	4.9
125.09615	26.7
131.08583	27.2
133.10126	66.5
135.00343	3.6
135.08066	8.0
135.11711	13.9
136.48892	3.3
139.76180	3.0
143.08585	5.5
145.06523	7.6
145.10123	33.4
147.11703	24.4
149.09604	10.3
149.13246	6.7
151.11163	5.2
153.05481	3.2
155.08589	3.1
159.11714	18.3
161.09625	4.0
161.13254	5.1
163.11217	12.3
169.10141	4.5
171.11754	3.8
177.12799	11.8
179.14296	18.4
181.05000	8.5
183.11705	5.0
187.11165	14.5
191.10670	12.6
195.13832	7.0
209.11664	18.5
229.19427	3.2
237.11214	34.4
241.14410	6.1
257.18942	9.3
275.20087	81.3
276.20676	5.4
293.21115	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.21749	1.1
51.28210	1.1
52.81234	1.2
53.03936	2.6
55.01871	44.0
55.05509	44.3
57.03424	5.2
57.07078	2.0
59.05000	1.7
65.03932	1.8
67.05502	58.9
69.03424	5.3
69.06707	2.1
69.07066	31.1
70.07475	2.4
70.07825	2.7
71.04991	6.4
72.08159	1.4
79.05492	53.5
81.03416	6.6
81.07055	81.6
83.04980	21.4
83.08620	24.0
85.06525	4.9
91.04939	2.2
91.05479	36.4
93.07045	39.4
94.34240	1.1
95.04973	25.0
95.08605	39.4
97.06527	33.7
97.10162	26.5
98.22760	1.7
99.08098	3.3
101.06009	2.4
105.04535	2.2
105.07029	37.5
107.04950	6.5
107.08594	69.0
109.06515	26.0
109.10159	16.1
111.08092	8.7
113.06013	2.2
117.07018	11.5
119.06072	1.9
119.08590	27.2
121.06520	6.6
121.10143	21.6
123.08070	10.1
123.11723	7.0
125.05978	2.0
125.09631	31.1
129.06984	4.8
130.07762	1.5
131.08568	17.9
133.06480	3.0
133.10127	23.9
135.08044	8.5
135.11690	13.1
137.09622	6.7
137.13219	2.0
139.11197	2.2
141.06934	2.0
143.08546	2.8
145.10100	15.8
147.08022	3.0
147.11673	16.1
148.04694	1.2
148.18381	1.2
149.09598	17.6
149.13213	5.0
151.11168	6.0
153.09183	2.8
153.12723	3.0
157.10100	5.1
159.11708	12.4
161.09654	2.8
161.13242	7.4
163.11192	17.1
165.09042	1.5
165.12747	3.8
167.10692	2.3
169.10158	2.6
171.10216	2.1
171.11711	3.5
173.13249	7.3
175.09802	1.5
175.11189	3.2
177.12759	5.7
179.10846	1.5
179.14281	1.8
181.12213	2.6
183.11746	2.9
187.11163	2.7
187.14783	2.1
189.11209	26.6
189.12720	1.8
191.14363	2.1
193.12283	3.6
195.13777	1.3
197.13269	2.2
201.12738	2.3
205.10451	1.5
205.12221	2.5
205.15929	2.4
207.13815	1.9
215.14357	1.5
215.17865	1.6
219.17491	3.0
221.15385	1.4
223.13278	11.6
229.19522	4.7
233.15314	1.9
237.14783	3.6
239.17857	6.1
243.00882	1.2
247.20491	6.3
251.16400	10.9
253.00246	1.4
257.18961	11.4
275.20059	100.0
276.20486	4.2
293.17554	4.1
293.21075	98.5
294.21527	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	294.1449
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
49.99982	0.3
51.14139	0.3
58.88203	0.3
64.32208	0.3
70.69080	0.3
71.34050	0.4
83.06142	0.5
84.08146	2.8
86.02413	0.8
86.09712	0.8
91.05489	1.2
101.07137	10.4
103.05454	2.5
107.04948	1.1
108.88511	0.4
119.04974	0.6
119.08178	0.4
120.08102	100.0
121.08476	2.3
129.06599	11.4
129.10275	0.7
131.04924	2.1
136.07590	3.5
149.05959	1.9
161.32547	0.4
165.10777	0.4
166.08635	60.0
167.08997	1.4
177.10222	11.7
205.09755	1.1
223.10764	23.6
224.11102	1.0
231.11115	0.5
249.12282	1.4
291.32065	0.3
294.14346	1.5
294.17987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1816
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
51.05078	0.1
55.05517	0.4
56.05038	3.1
56.96576	0.8
57.93932	0.2
60.04527	0.3
60.70302	0.1
64.98002	0.1
65.03947	0.2
66.76090	0.1
67.05511	1.1
68.39221	0.1
69.03448	0.1
69.07075	0.2
70.06599	1.8
70.98138	0.2
72.07795	0.2
72.08154	0.9
83.06120	0.2
84.04501	0.6
84.08145	100.0
85.06528	0.3
85.08473	1.5
86.09708	1.5
88.88079	0.2
91.05491	0.5
93.07047	0.2
95.04963	0.2
98.97603	0.4
101.10777	4.1
102.00980	0.2
102.09193	0.3
103.05470	0.5
105.07055	0.3
107.05022	0.2
110.07169	0.3
111.26862	0.2
112.03938	0.1
112.07616	0.5
112.08691	0.2
115.26215	0.2
116.98648	0.3
119.01909	0.2
120.08110	5.2
129.10246	16.6
130.08641	3.0
132.10258	0.2
136.06174	0.4
145.06131	0.2
147.07576	0.2
147.11284	4.6
166.08652	0.7
177.00900	0.4
186.09074	0.2
186.12842	0.2
190.98709	0.2
191.98958	0.3
206.10715	0.2
212.07449	0.2
214.12340	0.2
219.01945	0.3
220.61880	0.2
230.13744	0.2
231.14929	0.4
234.14053	0.2
239.01749	0.2
242.52098	0.2
248.01593	0.2
252.00955	0.2
252.53534	0.2
253.00578	0.2
258.13354	0.2
259.14465	0.4
260.12778	0.4
276.14493	0.3
276.16995	0.9
277.08844	0.2
277.15457	5.8
278.15817	0.2
294.18115	15.8
295.18533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.16243	0.2
55.05505	0.3
57.07072	0.7
58.02953	0.3
61.40466	0.2
66.04704	0.2
67.05486	0.6
69.07063	0.2
69.31171	0.2
71.08617	0.3
71.34804	0.3
79.05479	0.6
80.94841	0.2
81.07059	2.3
84.08074	0.2
86.93097	0.2
91.05480	0.4
94.04194	1.7
94.94918	0.2
95.08609	0.2
107.04912	0.2
109.06525	0.2
122.03649	6.6
123.11701	1.6
137.05980	100.0
137.81886	0.2
138.06328	1.8
148.95700	0.2
158.15419	1.4
163.83194	0.2
165.34171	0.2
170.15399	1.9
196.93971	0.2
276.26974	0.3
294.20761	0.4
294.27921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05511	1.2
57.07076	1.0
60.36760	0.2
61.35584	0.2
65.03928	0.2
66.04712	0.2
67.05503	2.1
69.07052	0.7
69.93760	0.6
71.08630	1.0
72.15265	0.2
79.05495	1.4
80.07230	0.2
80.33255	0.2
81.07046	2.4
83.04961	0.2
83.08613	0.7
88.07637	0.2
91.05464	0.9
92.67896	0.2
93.07036	0.9
94.04182	1.8
95.04971	0.3
95.08604	1.2
97.06525	0.3
97.10138	0.4
98.22799	0.2
105.06998	0.5
107.04946	0.4
107.08581	0.9
109.06518	0.4
109.10181	0.6
111.07969	0.2
111.11771	0.2
119.08575	0.4
121.10157	0.7
122.02804	0.4
122.03654	6.0
123.11655	0.3
125.09608	0.4
133.10130	0.4
135.11688	0.3
137.05975	100.0
138.06302	2.1
141.12727	2.5
147.11679	0.3
149.09604	0.3
149.13245	0.3
158.15390	1.3
160.73723	0.2
170.15376	0.5
181.22694	0.2
189.11201	0.5
196.46922	0.2
215.03572	0.2
224.49918	0.2
233.84998	0.2
240.40771	0.2
247.40027	0.2
254.68944	0.2
276.20337	0.7
277.21597	1.2
294.20700	0.6
294.27859	0.9
295.22656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2794
Annotation	Lepadiformine
Peak:m/z	Relative Intensity
53.03937	0.7
55.01881	0.4
55.05304	0.3
55.05514	4.4
56.05025	0.9
57.03429	1.6
57.07062	0.5
58.06603	15.0
65.03931	1.2
67.05505	24.0
68.05822	0.4
68.84107	0.3
69.07082	2.7
70.06594	1.2
70.52264	0.4
72.08145	1.4
79.05491	4.4
80.94851	0.7
81.07059	17.2
82.06577	0.6
82.07388	0.5
83.08621	2.5
84.08156	2.8
86.06049	0.5
88.07609	0.6
91.05491	1.0
93.07063	3.1
95.04993	0.6
95.08605	10.0
96.08131	1.2
96.08910	0.4
97.06525	0.4
97.08898	0.8
97.10164	0.7
107.08597	2.1
109.10164	4.2
110.09649	0.6
114.09182	0.6
121.10148	1.5
123.11708	0.8
135.11679	0.8
157.28780	0.4
226.95610	0.4
276.23886	0.5
276.26871	9.8
277.27231	0.6
294.27917	100.0
295.28214	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	295.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	11.1
70.06239	2.9
70.06593	40.5
70.24692	2.2
74.07076	1.8
83.00974	2.3
97.07659	4.3
98.06097	1.9
101.01982	2.8
112.03577	4.1
112.08669	1.9
121.94447	1.9
136.94002	4.9
140.06644	2.6
142.08224	2.9
152.06670	2.6
153.42863	1.8
154.08243	4.1
155.06642	27.2
156.05042	4.2
156.97316	2.4
157.10835	3.3
168.06267	3.1
169.09314	5.7
171.10919	19.6
172.09303	3.6
173.07724	85.6
174.06197	9.8
174.07613	2.7
174.88626	18.5
175.11925	17.3
187.10378	3.5
189.11926	16.7
192.07117	3.2
193.36514	2.1
196.86740	33.4
197.08676	10.0
198.07124	3.1
208.02217	9.4
212.84138	89.4
215.09921	26.6
215.97205	2.0
216.08299	6.4
217.02144	4.2
218.00594	3.9
219.01970	3.8
233.10931	7.7
235.03302	51.2
236.03276	2.7
253.03714	75.2
253.05234	35.2
254.02638	2.6
272.03616	4.4
276.05518	2.1
277.05191	32.1
294.83643	3.0
295.05887	100.0
312.84698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	3.0
70.29401	2.0
74.06080	5.9
77.27013	1.1
78.77578	1.0
79.05429	1.4
80.96860	0.9
81.03365	1.0
90.34406	1.1
104.99271	1.3
116.07082	5.3
117.41650	1.1
117.81520	1.4
119.03543	3.6
134.08125	24.4
136.06184	100.0
136.07516	6.0
137.04590	2.9
137.06450	1.5
162.04105	41.9
295.11588	7.5
295.16379	1.9
296.18378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
59.11874	0.1
65.03937	0.4
67.79177	0.2
69.03411	0.3
69.07073	0.4
69.83553	0.4
73.06544	0.1
74.02435	0.5
77.30688	0.2
83.27180	0.2
85.02904	1.4
86.09712	4.3
91.05482	19.5
91.80937	0.2
92.05820	0.3
93.07049	0.2
97.02863	0.3
107.04958	0.5
109.06501	0.3
111.24031	0.2
118.06567	0.8
119.04942	14.9
120.05274	0.3
120.08072	0.4
121.06506	2.5
127.03922	0.3
130.08655	1.1
132.10205	1.9
136.07578	100.0
137.07918	2.4
145.04916	0.3
147.04416	0.6
213.25330	0.1
218.79904	0.2
249.15953	1.5
250.14359	0.7
278.13852	1.4
295.05798	0.2
295.16519	6.9
296.16739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01861	8.7
55.05504	4.4
57.07079	1.4
60.08127	0.8
67.05502	6.7
69.03434	0.9
69.07048	4.4
69.59460	3.7
70.20876	0.8
71.08629	1.0
78.52383	0.8
79.05478	5.5
81.07056	30.1
83.04976	2.1
83.08622	3.3
91.05486	3.3
93.07027	4.6
95.04989	1.1
95.08611	5.1
96.52582	0.7
97.06524	1.7
99.08150	0.9
105.07026	3.3
107.08587	3.6
109.06520	12.8
109.10172	2.5
111.04446	11.7
111.08100	2.9
119.08559	4.1
121.10157	3.1
123.08041	1.6
123.11725	1.8
125.05975	5.0
131.08551	2.1
133.10141	3.7
135.08099	1.2
135.11702	3.7
137.05972	100.0
137.13275	1.5
138.06317	1.6
143.08566	1.0
145.10164	0.9
147.11655	4.9
149.09660	3.3
149.13237	1.5
151.07555	2.8
151.11195	1.0
157.10164	1.8
159.11722	1.1
161.09610	3.6
161.13268	1.1
163.11201	2.9
165.09116	1.7
175.11177	3.5
175.14763	0.9
177.12743	1.4
179.10689	1.3
183.91469	0.9
185.13290	1.2
193.12257	1.4
203.14386	1.0
203.17993	5.1
213.16368	1.6
231.17470	8.7
241.15933	1.5
249.18533	10.3
277.17993	47.9
277.21442	3.5
278.18390	1.4
295.19034	6.2
295.22290	1.6
295.28162	1.2
296.25595	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	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03944	0.4
55.01866	5.7
55.05510	3.5
57.07071	0.9
67.05505	4.4
69.03418	0.4
69.07059	2.8
70.06123	0.3
70.06570	0.4
71.08624	0.5
71.20958	0.3
72.34835	0.3
79.05487	4.6
81.07055	25.7
82.07377	0.5
83.04980	1.8
83.08618	1.3
85.10188	0.5
91.05479	2.4
93.07037	3.3
95.04961	0.4
95.08604	3.8
97.06532	1.3
99.08105	0.4
101.64719	0.3
105.07031	2.1
107.08601	3.2
109.06518	11.8
109.10142	1.8
111.04442	12.6
115.83782	0.3
117.07033	0.5
118.06460	0.3
119.08585	3.0
121.10119	2.9
123.08077	1.7
123.11702	1.4
125.05989	3.8
131.08572	1.0
133.06516	0.9
133.10123	3.1
135.08080	1.9
135.11685	2.9
137.05975	100.0
137.13249	1.3
138.06306	1.6
139.07541	0.4
142.07706	0.5
143.08600	0.9
145.10133	0.9
147.08006	0.8
147.11691	4.0
149.09613	3.1
149.13254	0.9
151.07523	2.6
151.11227	0.8
157.10144	1.3
161.09639	4.0
161.13219	1.7
163.11215	2.1
163.14766	0.5
165.09123	1.4
167.10687	0.8
171.11740	0.8
175.11195	3.1
175.14795	0.6
177.12766	0.7
179.10652	1.4
181.12289	0.7
185.13196	0.6
189.12779	0.9
193.12242	0.8
203.14383	0.4
203.17950	4.5
213.16402	2.0
221.18993	2.1
223.14795	0.8
231.17451	7.1
241.15932	1.0
249.18492	9.2
262.89703	0.4
277.17978	45.3
278.18341	2.1
295.19028	4.9
295.22513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
51.39600	1.8
53.03938	5.3
55.01871	39.2
55.05256	3.3
55.05511	46.9
57.03431	4.4
57.07070	10.9
65.03941	2.6
67.05502	68.8
69.03420	7.7
69.07068	33.5
69.24264	8.1
70.06583	8.0
71.04995	5.4
71.08632	34.3
75.97781	1.8
79.05046	3.3
79.05494	45.7
81.03425	11.6
81.07056	71.8
83.04977	15.9
83.08619	33.0
84.08191	2.2
85.06535	6.7
85.10182	10.9
91.05473	35.7
93.07046	51.5
95.04972	16.2
95.08608	37.9
96.08907	2.1
97.06533	24.0
97.10142	10.8
99.08083	28.3
101.06017	2.1
105.07033	31.0
107.04963	4.6
107.08588	29.8
109.06506	9.0
109.10158	20.0
111.08081	42.1
113.09628	14.9
117.07010	6.1
119.08585	19.9
121.06497	3.2
121.10155	22.1
123.08044	6.7
123.11722	9.1
125.09644	10.7
129.07008	5.6
131.08554	8.0
133.10126	25.3
135.08061	4.0
135.11703	15.7
137.09639	4.6
137.13307	2.5
139.07518	3.9
139.11168	10.6
143.08568	4.3
145.10118	7.9
147.11681	27.8
148.28470	1.9
149.02354	4.8
149.09653	6.7
149.13255	16.0
151.11177	31.6
152.11627	2.1
153.12714	4.6
157.10150	6.1
159.11682	6.1
161.09653	2.6
161.13272	17.3
163.11191	11.5
163.14809	4.3
165.12750	26.8
167.14323	3.5
171.11633	4.2
173.13329	2.9
175.11166	3.4
175.14825	6.4
177.12666	2.9
179.14333	15.9
185.13205	4.3
189.11209	6.9
189.12741	4.2
189.16284	2.8
193.12328	2.5
193.15999	1.9
195.13705	2.3
199.14848	2.3
217.00252	1.9
221.15372	3.6
231.21069	5.6
241.19484	7.0
249.22119	5.1
259.20590	15.2
277.21619	100.0
278.21939	5.2
295.15146	4.2
295.19220	2.1
295.22665	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	295.227
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
50.88989	4.4
55.01885	8.5
55.05511	55.8
57.03436	23.1
58.94623	5.0
65.27985	4.8
67.05504	72.6
69.07082	36.7
70.04099	5.5
71.04986	7.3
71.08638	21.5
72.66070	5.1
74.26759	4.2
79.05496	53.3
81.03434	7.8
81.07063	84.9
81.07552	6.0
83.04996	11.2
83.08614	41.8
85.06548	10.3
91.05473	36.8
93.07043	74.2
95.04978	13.1
95.08607	60.2
96.08144	17.9
97.06547	18.3
97.10169	19.2
99.08107	21.1
105.07008	30.7
107.08609	31.6
109.06538	13.7
109.10169	26.7
111.08092	11.6
114.09170	57.9
117.07039	7.9
119.08586	31.3
121.10132	36.3
123.11753	7.3
125.09625	9.7
129.06987	6.6
131.08548	18.3
133.10114	28.9
135.08040	6.2
135.11652	23.6
137.09680	6.8
139.11189	8.8
143.08572	8.1
145.10120	11.4
147.11662	23.6
149.13242	23.8
151.11176	24.9
157.10204	5.4
159.11694	10.8
161.09657	8.6
161.13280	14.3
163.11221	11.3
175.14859	7.1
181.12389	7.2
185.13249	13.6
187.14816	15.6
189.11276	6.6
205.15999	8.6
241.19467	8.6
259.20621	21.7
277.21613	100.0
295.15063	5.8
295.19516	6.0
295.22751	25.9
296.25745	29.2
296.76648	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03943	4.0
55.01874	22.1
55.05508	43.8
57.03442	3.3
57.07070	7.4
58.96136	1.2
65.03944	2.5
67.05504	68.3
69.03437	3.6
69.07068	27.6
70.56332	1.4
70.73253	1.4
71.04987	5.4
71.06319	1.2
71.08631	44.0
79.05493	41.7
81.03420	11.7
81.07056	58.9
83.04984	15.3
83.08620	28.4
85.06539	6.3
85.10179	5.5
89.63411	1.2
91.05482	33.0
93.06446	2.4
93.07041	44.3
95.04965	11.5
95.08607	36.6
97.06535	14.3
97.10163	20.6
99.08096	39.9
105.04483	1.9
105.07034	25.3
107.04959	4.6
107.08591	30.6
107.09259	2.8
109.06516	8.7
109.10154	21.7
111.08086	25.2
113.09663	8.0
117.07030	5.8
119.08591	17.4
121.05549	1.5
121.06508	2.4
121.10136	19.2
123.08069	5.5
123.11694	7.7
125.09633	21.0
129.06993	4.3
131.08546	5.2
133.10147	16.9
135.08066	3.7
135.11679	15.8
137.09596	3.7
137.13248	2.0
139.07640	1.3
139.11177	4.9
143.08589	3.1
145.10120	6.4
147.11684	20.8
149.02370	1.8
149.09604	5.4
149.13260	13.2
151.11186	34.8
153.09164	1.7
153.12802	2.1
157.10121	3.5
159.11723	4.7
160.70393	1.4
161.13257	16.3
163.11183	19.2
163.14839	4.6
165.12755	14.0
167.10733	1.7
167.14261	2.0
171.11693	4.5
173.13251	3.3
175.11250	2.8
175.14836	3.8
177.12697	2.6
179.14301	14.8
185.13280	4.1
189.11177	13.2
189.12651	2.7
193.12247	2.0
193.15973	2.0
207.13838	2.4
207.37238	1.5
217.19667	1.5
221.15382	2.7
231.21071	4.0
235.16786	2.0
241.19550	9.5
244.85544	1.4
249.22203	4.2
259.20551	13.4
277.21622	100.0
278.21967	5.7
295.15134	1.9
295.22665	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	2.8
53.85575	1.2
55.01867	11.3
55.05512	85.3
56.05841	2.3
56.60321	1.3
57.03435	2.6
57.07058	1.4
58.33805	1.3
67.05161	2.4
67.05504	40.1
69.07069	20.8
69.54300	1.2
71.04999	3.7
79.05492	19.0
81.03435	8.5
81.07056	37.0
83.05003	6.8
83.08619	100.0
85.06544	3.9
91.05477	33.4
91.06051	1.7
93.06514	2.4
93.07047	25.5
95.04967	8.3
95.08607	20.1
97.06528	8.1
97.10161	3.1
99.08080	2.4
105.07028	21.9
107.04964	1.8
107.08598	15.3
108.52895	1.3
109.06499	7.6
109.10139	7.5
111.08081	26.0
112.08294	1.4
117.07022	2.1
119.08569	15.2
121.10142	16.1
123.08065	2.9
123.11709	3.5
125.05968	1.6
129.06996	6.1
129.09138	3.1
129.60590	1.3
131.08562	5.8
133.10129	26.1
135.08109	1.8
135.11696	8.2
137.09682	1.8
139.11191	13.1
142.07718	2.0
145.10103	5.8
147.11682	23.3
149.09650	7.6
149.13261	21.6
151.11176	9.3
157.10138	8.1
159.11740	2.4
161.13258	5.2
163.11124	1.9
163.14815	1.6
165.12767	15.3
167.14357	3.8
171.11615	3.2
173.13315	3.3
175.11182	10.6
175.14874	2.9
176.11327	1.5
177.12730	1.7
179.14313	3.1
185.13217	2.4
193.12274	3.1
221.15373	3.2
231.21051	1.9
241.19499	5.7
249.22128	2.3
259.20499	10.3
277.21622	48.1
278.21817	2.7
295.22714	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03946	13.9
55.01869	9.0
55.05256	2.1
55.05507	25.6
57.03430	3.4
57.07075	8.0
65.03927	1.8
66.56760	0.9
67.05503	60.1
68.05834	1.7
69.03430	2.8
69.07066	41.2
69.22231	0.9
69.76727	1.8
69.77084	2.0
71.04993	3.5
71.08634	5.6
77.03950	0.9
79.05492	36.7
81.03416	71.3
81.07053	55.6
82.03785	1.2
82.07380	1.5
83.04980	19.0
83.08617	9.1
84.05241	0.8
85.06528	2.2
85.10174	4.0
91.05476	23.1
93.06455	1.7
93.07043	34.0
95.04965	39.7
95.08605	20.3
96.05305	2.4
97.06534	3.5
97.10156	7.0
97.93637	1.2
99.08099	3.6
105.04486	1.2
105.07023	19.1
107.04938	1.4
107.08595	25.6
109.06520	9.9
109.10155	14.7
111.08081	5.3
113.09636	1.9
117.07027	4.1
119.08578	10.0
121.06464	1.6
121.10134	11.0
123.08096	2.7
123.11702	6.0
125.09629	7.0
129.07013	1.8
130.55180	1.1
131.08553	4.0
133.10118	18.1
135.08072	4.9
135.11687	7.7
137.09593	1.7
137.13269	3.1
143.08566	2.9
144.78098	1.0
145.10130	2.7
147.08075	1.5
147.11685	12.7
149.09616	2.5
149.13290	5.7
151.11179	42.2
151.12416	2.1
152.11528	1.6
153.09094	5.2
157.10143	3.2
159.11678	1.8
161.09669	1.6
161.12021	1.3
161.13257	9.8
163.11168	1.5
163.14847	4.7
163.52251	1.0
165.12769	11.6
171.10214	1.7
171.11679	3.0
173.11845	1.4
173.13226	1.5
175.11217	1.4
175.14772	4.5
177.12761	2.3
177.16457	1.1
179.10704	1.9
179.14337	5.4
181.12389	0.9
185.13225	2.4
189.11325	1.8
189.12737	3.1
193.12276	2.7
199.14778	1.2
207.13818	3.8
211.25745	1.0
217.19687	1.6
221.15367	3.3
224.13562	1.0
231.21068	9.5
241.19499	6.6
249.22179	5.3
259.20560	8.8
277.21613	100.0
278.21814	5.0
279.23566	1.0
295.22183	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03947	2.4
55.01875	6.3
55.05515	20.8
55.68195	1.1
57.03431	3.0
57.07076	6.9
67.05505	43.6
69.03427	1.8
69.07069	23.7
69.49228	0.9
71.04987	4.0
71.08631	45.4
71.45766	1.4
77.03902	1.9
79.05495	44.2
81.03410	5.9
81.07059	56.5
83.04987	10.9
83.08618	14.5
85.06544	2.4
85.10175	1.0
88.21407	0.9
91.05482	25.3
93.07047	59.5
95.04971	11.2
95.08611	39.2
97.06544	10.5
97.10159	5.0
99.08097	35.0
105.04478	2.1
105.07043	14.0
107.04942	4.6
107.08596	34.5
108.08938	1.2
109.06528	4.4
109.10152	14.0
110.12120	1.1
111.08090	3.3
113.09644	2.4
117.06994	5.0
119.08598	14.6
121.06526	1.7
121.09266	1.5
121.10146	31.2
122.10535	1.1
123.08062	1.3
123.11718	3.5
127.11215	2.3
129.07060	1.4
131.08548	4.7
133.10130	11.4
135.08020	1.6
135.11697	39.0
137.09575	4.7
137.13257	1.4
139.07440	1.2
139.11237	1.0
141.09111	4.8
143.08583	1.9
145.10150	3.2
147.11679	4.0
149.13254	12.2
151.11185	14.6
151.14774	1.3
153.12762	3.4
157.10110	2.5
159.11685	3.7
161.13289	10.2
163.11171	6.4
163.14839	1.6
165.12740	1.3
167.10698	2.1
167.14310	2.3
173.13229	1.7
175.11148	1.1
175.14803	1.5
177.12766	3.9
177.16394	1.0
179.14307	100.0
180.14661	2.7
181.12186	1.2
185.13243	2.5
189.12750	2.5
191.14455	1.0
195.13799	2.6
199.14828	1.2
207.13844	1.2
221.15359	3.6
233.22653	6.7
235.16904	3.9
241.19370	1.5
259.20624	4.7
261.22183	4.3
277.21631	42.2
278.21988	2.6
279.23215	4.5
295.22552	3.1
295.31680	1.4
296.25906	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03955	1.8
53.37466	1.3
55.01873	69.6
55.05259	2.3
55.05513	29.5
55.26718	1.4
57.03426	3.1
57.07066	3.5
57.92339	1.3
60.46737	1.3
67.05505	26.9
69.03421	4.1
69.07066	13.1
69.26120	3.3
69.26524	4.0
71.04994	3.0
71.08619	3.8
79.05487	15.9
81.03415	4.9
81.07063	32.2
83.04986	13.1
83.08617	27.0
85.06546	2.1
85.10175	2.4
91.05484	26.4
93.07039	21.8
95.04962	4.9
95.08615	18.5
97.06530	8.8
97.10175	3.3
98.22711	3.4
99.08084	3.4
105.07032	16.2
105.88412	1.4
106.07368	1.6
107.08596	12.7
109.06534	8.5
109.10152	6.0
111.08077	100.0
112.08405	1.8
113.09611	1.9
117.07036	2.1
119.08578	10.6
121.10143	9.9
123.08067	3.4
123.11697	5.3
125.09637	2.1
129.07013	3.3
131.08554	4.3
133.09164	2.7
133.10135	29.5
135.08008	1.7
135.11678	5.6
137.09615	2.6
139.11163	12.5
143.08575	1.8
145.10123	2.1
147.11693	12.2
149.09622	11.6
149.13243	9.7
151.11172	14.4
157.10133	4.2
159.11710	2.4
161.13248	6.3
163.11197	3.1
163.14809	1.5
165.12747	15.5
170.51437	1.5
171.11717	2.0
173.13258	1.9
175.11171	4.9
179.14311	3.7
185.13268	1.7
193.12216	2.9
221.15373	2.6
230.81157	1.4
231.21111	3.2
241.19560	4.6
241.77362	1.4
249.22156	3.0
259.20615	12.7
277.21634	84.4
278.22064	4.1
295.22684	67.9
296.22940	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	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03945	4.1
55.01869	4.4
55.05512	100.0
56.05846	1.6
57.07080	0.7
64.64502	0.6
67.05503	8.4
69.03426	1.1
69.07074	4.5
70.06598	2.4
71.04994	10.8
71.08628	1.6
79.05490	4.9
81.03429	0.9
81.07053	8.4
83.04992	1.3
83.08621	62.4
84.08958	0.7
85.06545	1.9
86.14843	0.5
87.04481	1.6
89.27227	0.5
91.05482	3.5
93.07037	6.5
95.04984	1.9
95.08604	6.3
97.05892	0.8
97.06528	17.6
97.10170	6.2
98.22690	1.1
99.08103	1.3
105.07071	2.8
107.08588	4.2
109.06538	0.8
109.10155	4.6
111.08081	2.2
117.07037	0.8
119.08589	2.6
121.06445	0.6
121.10124	3.2
123.11708	1.1
125.09628	3.9
125.84491	0.5
131.08586	2.1
133.10120	3.6
135.08087	1.1
135.11734	1.6
137.05957	1.1
143.08582	0.7
145.10155	0.8
147.11707	1.3
149.09604	0.7
149.13249	1.2
150.89436	0.5
151.11232	1.4
157.10103	0.6
159.11708	1.9
161.13263	0.7
165.12756	0.7
168.14149	0.5
173.13290	1.3
177.12804	1.4
179.14282	0.8
184.83035	0.6
185.13242	0.8
189.11243	1.0
195.13797	10.5
211.13252	1.0
213.14856	28.1
214.15237	1.1
225.14835	1.1
249.22148	0.7
259.20761	0.9
277.21585	4.5
295.22687	28.2
296.23038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	6.3
55.01876	15.4
55.05517	28.6
57.03439	8.2
57.07062	8.9
59.04478	4.6
67.05502	57.8
68.23700	4.5
69.07079	40.7
69.43920	16.0
70.06559	6.2
71.04975	7.3
71.08637	38.9
79.05492	65.3
80.05796	4.8
81.03410	14.2
81.07057	79.5
83.04984	11.6
83.08611	27.7
85.06541	6.6
91.05490	28.9
93.07042	78.1
95.04961	11.7
95.08611	54.9
97.06531	25.7
97.10148	8.9
99.08106	33.6
104.99272	4.4
105.07022	24.2
107.04897	7.0
107.08588	44.7
109.06502	8.0
109.10148	23.6
111.08032	7.4
113.09595	5.6
119.08555	17.6
121.10146	34.8
123.08058	5.8
123.11709	7.6
130.90454	4.8
131.08583	7.8
133.06497	20.7
133.10100	13.3
135.11697	48.2
139.11186	7.5
145.10124	9.8
147.11679	15.4
149.09615	5.4
149.13254	10.8
151.11197	18.4
153.12701	10.9
161.13252	14.3
163.11183	6.6
165.12744	5.8
179.14305	100.0
217.14322	9.0
241.19565	6.3
243.64236	5.1
259.20599	12.2
277.21661	78.5
277.27072	5.1
278.22067	5.2
295.22522	21.4
295.27985	6.3
296.29462	14.4
307.95242	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.62074	1.8
53.03952	16.7
55.01879	7.2
55.05512	26.9
57.03445	2.1
57.07079	5.9
65.03941	2.0
67.05505	48.8
69.03461	2.4
69.07068	36.3
69.31465	10.7
70.06602	3.3
71.04964	2.4
71.08633	3.9
79.05495	28.4
80.55290	1.8
81.03416	60.1
81.07056	47.0
83.04987	13.8
83.08625	10.7
84.08173	1.9
85.06564	3.1
85.10183	3.3
91.05478	20.6
93.07048	39.8
95.04975	35.4
95.08608	22.9
97.06557	4.8
97.10184	6.9
99.08076	4.4
105.07024	21.3
107.08598	23.1
109.06539	8.2
109.10154	16.4
111.08130	4.9
117.07009	2.3
119.08580	16.0
120.08153	9.6
121.10097	9.5
123.08137	2.1
123.11681	6.1
125.09631	5.7
129.07014	2.4
131.08549	5.0
133.06560	3.2
133.10118	14.1
135.08084	6.2
135.11700	8.8
137.09633	2.0
143.08559	2.5
145.10149	3.9
147.11771	9.7
149.02335	2.6
149.13292	7.8
151.11172	43.4
151.12270	3.3
153.09155	4.6
159.11719	2.7
161.13242	12.0
161.14389	2.0
163.14880	4.4
165.12799	12.1
171.10258	3.8
171.11629	4.3
175.11177	2.0
175.14832	6.3
179.10681	2.0
179.14317	4.1
189.11206	2.4
189.12859	2.2
193.12314	3.7
207.13820	3.7
217.19624	2.4
231.21149	10.3
241.19556	6.3
249.22087	5.5
259.20663	7.6
277.21634	100.0
278.22021	4.9
295.22650	10.0
296.29416	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	295.227
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03943	15.9
54.12059	3.4
55.01869	28.3
55.05511	29.7
56.74766	3.5
57.07067	13.4
64.30429	4.1
67.05511	49.5
67.61677	3.7
69.07069	38.6
69.18772	12.2
69.19171	10.3
71.04992	5.0
71.08643	6.0
79.05498	39.5
80.94820	4.0
81.03415	53.6
81.07056	59.3
83.04989	24.7
83.08628	19.5
91.05479	23.4
93.07047	53.5
95.04964	35.8
95.08613	33.5
97.06503	7.3
97.10162	10.2
104.99252	5.1
105.07016	25.6
106.78191	4.4
107.08591	37.9
109.06495	9.2
109.10157	13.7
111.08067	29.6
119.08613	17.5
121.10144	15.1
123.08108	5.3
123.11700	6.6
125.09666	6.1
129.06976	5.2
131.08607	4.3
133.06490	7.9
133.10109	18.5
135.11703	10.4
141.12741	4.7
147.11713	13.4
149.13240	14.6
151.11185	31.2
154.39531	4.2
161.09726	4.6
161.13232	16.1
163.14812	6.0
165.12756	8.8
169.95032	3.8
173.13179	5.8
179.14284	4.4
185.13266	5.8
189.09071	5.3
231.21037	7.0
233.22502	4.9
241.19481	9.7
241.32237	3.6
249.22226	4.5
259.20599	8.9
277.18579	5.4
277.21613	100.0
278.21976	6.2
279.23236	6.1
295.22818	23.2
296.25906	5.3
318.41068	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	296.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51597	0.6
58.06600	1.1
60.08156	3.6
71.07372	3.4
71.45046	0.5
86.09703	21.0
95.67818	0.5
98.94245	0.5
104.10739	100.0
105.11098	1.0
188.88239	0.5
204.17787	0.5
222.98875	1.3
226.47409	0.5
236.99237	34.0
237.99471	0.6
238.94365	0.5
261.24338	0.5
272.27072	0.5
294.61542	0.6
296.06598	44.8
297.07050	0.7
299.66815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08370	0.3
53.03953	0.3
53.45811	0.3
55.05264	0.4
55.05510	4.4
56.05029	1.5
56.28753	0.3
56.75534	0.3
57.03441	1.8
58.06375	0.3
58.06605	3.6
59.98383	0.3
61.98862	0.3
67.05506	2.6
69.07066	3.5
70.06591	1.6
70.69386	0.6
71.07371	0.6
72.08149	2.2
79.05486	0.6
80.94846	0.5
81.07048	3.3
83.08613	1.9
84.08142	7.8
88.07631	0.5
95.08613	4.1
96.08120	0.6
97.10163	1.1
98.09713	0.8
109.10162	1.3
112.11253	1.3
196.20567	0.4
207.06822	0.3
250.02943	0.4
278.28430	21.0
279.28882	0.8
296.29465	100.0
297.26407	0.5
297.29813	4.5
315.51175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03949	27.0
55.01875	10.3
55.05515	9.1
55.54760	1.6
56.96565	5.7
57.03173	2.4
57.03439	25.3
65.03963	2.8
67.05504	73.3
69.03419	5.1
69.07070	11.1
69.75571	5.7
71.01323	1.7
71.04978	4.0
79.05042	2.5
79.05490	44.2
81.03417	73.1
81.07055	89.9
83.04977	12.6
83.08627	7.1
85.06533	6.9
91.05482	30.8
93.07045	58.2
95.01335	3.1
95.04963	23.8
95.08607	52.4
95.09217	2.7
96.08928	1.5
97.06525	7.8
98.97582	36.8
99.08072	2.8
101.06004	2.0
103.05495	2.2
105.04483	2.4
105.07028	21.2
107.04955	45.1
107.08584	19.7
109.02881	1.8
109.06526	8.1
109.10160	4.5
110.81030	1.4
111.04465	1.7
111.08076	9.4
115.05487	2.2
116.98613	20.1
117.07020	21.1
119.04934	4.8
119.08578	10.4
119.16741	1.5
121.06498	13.6
121.10118	8.7
123.04422	5.8
123.08067	27.5
129.07028	2.5
131.04909	3.3
131.08566	20.9
133.06474	4.0
133.10118	9.8
134.99660	10.7
135.08009	4.8
135.11690	32.2
139.07526	1.6
140.00183	2.5
141.06998	9.9
143.08551	2.4
145.06461	19.4
145.10120	8.8
149.09596	2.0
149.13248	25.0
154.07770	2.3
157.10040	1.9
159.08034	5.7
159.11691	36.0
169.10132	14.3
177.12746	30.8
185.09500	1.4
187.11189	37.1
187.14716	3.1
190.95341	3.3
195.13818	20.3
205.12253	12.0
205.15886	4.0
223.13278	19.4
224.13675	1.5
232.96356	2.9
241.14343	44.3
256.96463	5.5
274.97479	36.1
279.15921	40.7
292.98532	21.9
297.16943	100.0
297.25839	3.0
297.99173	4.5
298.17386	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	297.1697
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
51.47649	1.3
53.03697	2.0
53.03949	27.5
54.04546	1.2
55.01873	10.4
55.05511	9.6
56.96555	4.5
57.03180	1.8
57.03439	26.2
57.07069	1.8
61.34331	1.3
65.03930	5.8
67.05507	72.8
69.03419	5.5
69.07061	9.3
69.15746	8.6
71.04983	5.4
79.05499	45.2
81.03418	69.5
81.07057	91.2
83.04990	11.9
83.08631	7.4
85.06532	5.9
91.05478	27.1
93.07046	60.8
95.01330	4.1
95.04967	25.0
95.08607	51.3
96.27003	1.3
97.06540	6.9
98.97580	35.2
99.08105	3.4
103.05472	2.5
105.04525	2.1
105.07034	20.9
107.04962	47.3
107.08610	14.8
109.06531	6.9
109.10145	3.4
111.08092	9.1
116.98629	20.4
117.07013	21.2
119.04912	4.7
119.08566	6.3
121.06520	14.8
121.10128	5.3
123.04395	4.6
123.08069	29.1
129.06998	2.7
131.04904	3.9
131.08577	21.2
133.06480	5.7
133.10141	9.7
134.99660	5.0
135.08075	4.4
135.11691	35.2
141.06984	7.6
143.08557	2.8
145.06485	22.3
145.10118	6.9
149.13264	19.8
149.40233	1.4
153.00706	1.7
154.07713	2.7
159.08075	5.7
159.11690	35.5
160.12048	1.5
161.09636	2.1
169.10115	13.6
177.12737	26.7
187.11186	36.2
195.13786	15.1
205.12225	9.4
223.13266	20.8
223.15247	2.2
232.96362	2.4
237.41400	1.6
240.29070	1.4
241.14349	40.1
255.05716	1.4
256.96457	5.2
274.97470	33.5
279.15909	59.3
280.16272	1.6
292.98499	16.5
297.16953	100.0
297.98947	1.8
298.17224	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	297.1699
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
51.02378	1.6
53.03950	31.8
53.90816	1.8
55.01873	10.7
55.05508	15.4
56.96553	7.5
57.03440	27.6
57.07076	2.2
63.04804	1.7
63.24785	1.6
65.03938	4.9
67.05505	84.8
69.03426	6.5
69.07069	17.2
70.06582	5.8
71.04983	5.6
72.08142	1.9
79.05039	3.1
79.05492	51.8
81.03414	77.3
81.07056	92.8
83.04977	15.7
83.08623	8.5
85.06532	7.1
91.05476	27.3
93.07043	60.9
95.01334	5.1
95.04970	25.0
95.08602	55.1
97.06532	8.6
98.23515	4.0
98.97579	65.2
99.04430	1.7
99.08096	3.5
103.05458	3.3
105.07043	22.1
107.04958	50.1
107.08604	26.7
109.06495	7.5
109.10144	7.9
111.08078	11.1
112.79550	1.7
115.05415	2.9
116.85239	2.0
116.98624	47.0
117.07040	23.6
119.04974	4.3
119.08598	10.0
121.06505	15.9
121.10136	7.2
123.04408	6.1
123.08072	32.5
125.05976	2.6
128.06238	2.0
129.06953	3.5
131.04877	2.9
131.08566	23.5
133.06490	5.4
133.10135	12.0
134.99648	21.9
135.08044	4.9
135.11693	40.0
140.00110	2.1
141.06985	9.9
143.08577	3.8
145.06471	20.0
145.10117	7.7
149.13249	23.4
153.00739	2.3
154.07765	1.7
157.10086	2.0
159.08064	4.9
159.11693	43.6
163.11151	2.2
169.10114	12.0
172.94304	3.0
177.12752	32.3
187.11163	35.6
190.95348	2.8
195.13853	17.9
205.12193	10.9
223.13254	15.8
228.35075	1.8
232.96486	4.5
241.14363	42.5
256.96457	8.9
274.97534	63.8
279.15906	36.8
279.22385	2.5
292.98569	37.6
297.16922	100.0
297.22336	3.6
297.99118	5.3
298.17227	5.7
315.99963	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	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.11687	0.2
56.96542	0.3
61.01148	5.2
61.55814	0.1
69.03420	0.3
70.57151	0.3
72.54492	0.1
75.02703	2.5
94.04070	0.3
97.02905	1.4
98.97577	3.7
103.02176	0.5
116.98627	1.6
119.03543	0.9
130.18561	0.1
134.99661	0.3
136.06178	100.0
137.04813	0.2
137.06607	1.2
145.03181	1.3
163.04231	1.5
218.08154	0.2
232.96280	0.2
244.18716	0.2
256.96463	0.4
274.97452	2.8
292.98569	1.3
298.09677	4.5
298.20029	0.2
299.09903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40166	4.3
67.56587	4.4
70.93850	4.7
72.46808	4.3
87.57403	3.9
94.93031	46.5
97.74020	4.0
104.10726	6.3
134.92477	12.7
136.06194	10.0
136.94032	13.7
166.95093	30.7
167.05876	8.7
192.93106	5.8
193.10815	5.7
194.94643	6.1
201.06065	5.0
203.00461	5.7
203.02499	7.7
210.94095	9.6
233.01521	7.3
238.99023	4.7
239.11610	5.1
251.02524	6.1
275.02722	6.1
293.03546	18.4
298.06650	4.8
298.11856	11.9
298.15244	100.0
298.18637	7.7
298.95731	6.9
298.99057	4.7
299.09756	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	298.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.05504	1.1
56.05032	1.4
56.96542	0.6
57.03434	1.6
58.06335	0.4
58.06597	3.9
67.05501	3.4
67.57087	0.3
69.07059	0.9
70.06593	1.4
70.67862	0.3
71.04993	0.6
71.07373	0.7
71.40466	0.2
72.08135	1.3
79.05494	1.5
81.07053	4.2
83.08607	0.6
84.08139	8.5
85.06514	0.5
88.07614	0.6
91.05467	0.8
93.07053	2.3
95.08603	3.3
96.08133	0.6
97.08947	0.4
98.09676	0.8
98.22680	0.9
98.96995	0.3
98.97590	5.9
99.04443	0.3
105.07055	0.4
107.08588	1.6
109.10141	1.1
110.09684	0.7
111.10503	0.3
112.11227	0.7
116.98614	3.0
119.08571	0.4
121.10140	0.9
124.11212	0.4
128.10788	0.3
133.10129	0.3
134.99644	0.7
135.11717	0.5
138.56779	0.3
147.11668	0.5
149.13249	0.6
152.66342	0.3
172.94182	0.3
232.96387	0.5
236.23714	6.2
250.97339	0.3
254.24712	2.0
256.96378	0.9
262.21542	0.8
274.97482	6.1
280.22693	20.5
281.23123	0.7
292.98520	2.9
298.23755	100.0
299.24078	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	298.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64137	0.2
52.43224	0.2
55.05511	0.7
56.05036	1.3
57.03422	1.0
58.06602	2.8
67.05505	3.1
69.07056	0.4
70.06592	1.6
71.04974	0.3
71.07359	0.6
72.08152	1.5
73.00877	0.2
79.05497	2.1
79.39739	0.2
81.07059	4.3
83.04961	0.2
83.08624	0.3
84.08143	8.0
85.06557	0.5
88.07615	0.6
91.05473	0.9
92.98158	0.2
93.07045	2.9
95.08612	2.5
96.08144	0.6
97.06518	0.2
97.08914	0.4
98.09685	1.0
98.97574	2.6
105.07050	0.7
107.08584	1.8
109.10155	0.9
110.09655	1.3
112.11285	1.0
116.98630	1.0
119.08604	0.5
121.10146	0.7
124.11211	0.2
131.08539	0.5
133.10120	0.6
135.11649	0.5
143.08527	0.2
147.11693	0.5
248.83936	0.3
256.96320	0.4
262.21719	0.9
274.97549	2.4
280.22699	24.7
281.23065	1.0
292.98615	1.5
298.23758	100.0
299.24084	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	298.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.05021	1.2
56.96551	0.4
57.03443	1.9
57.75161	0.3
58.06333	0.4
58.06600	3.7
65.53242	0.3
67.05511	2.9
69.07067	0.9
70.06587	2.3
71.04975	0.6
71.07380	0.4
72.08157	1.4
79.05495	1.9
81.07056	4.6
83.08606	0.3
83.62939	0.3
84.08144	8.4
84.08654	0.4
85.06514	0.4
88.07619	0.5
91.05473	0.5
93.07057	1.8
95.08598	3.4
96.08158	0.6
97.08885	0.4
98.09702	0.6
98.22603	0.4
98.97579	7.9
101.43387	0.3
107.08598	1.8
109.10139	1.0
110.09676	0.5
112.11265	1.4
116.98623	3.7
119.08596	0.3
121.10102	0.3
133.10086	0.4
134.99655	0.5
145.10094	0.3
149.13255	0.7
156.22914	0.3
172.94341	0.4
232.96371	0.5
236.23740	5.6
254.24840	2.6
256.96500	0.8
262.21692	1.2
274.97531	5.4
280.22717	20.7
281.23157	0.6
292.98560	2.9
298.23761	100.0
299.24094	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	298.2744
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.03144	0.4
53.03939	0.8
55.05263	0.7
55.05512	11.2
56.04776	0.5
56.05033	5.6
56.96560	2.0
57.07072	2.4
58.02974	1.9
60.04515	1.7
61.34007	0.5
64.34957	0.4
65.03937	0.4
65.55379	0.4
67.04256	0.8
67.05502	15.7
68.05030	2.5
69.06709	0.8
69.07067	11.6
69.70112	1.6
71.08633	1.5
72.04498	0.7
79.05495	10.2
80.05009	1.8
81.03410	0.7
81.05785	0.5
81.07056	12.8
82.06579	6.0
82.07352	0.5
83.04955	1.2
83.08624	5.4
84.08128	0.6
85.10155	0.6
86.06052	1.8
91.05486	6.9
93.07040	6.0
94.06562	3.4
95.04950	1.1
95.08611	10.2
96.08138	1.6
97.06535	0.8
97.10157	2.6
98.06038	1.3
98.97588	18.1
100.07603	1.4
105.07024	2.9
105.80113	0.5
107.08581	3.2
108.08101	1.2
109.10149	3.0
110.09676	0.5
111.11724	0.6
112.07623	0.6
114.09148	1.4
116.98621	7.9
119.08568	2.4
121.10130	3.2
122.09647	0.7
123.11655	1.0
133.10124	1.8
134.99675	2.7
135.11685	1.6
136.06195	0.7
136.11168	0.5
140.00131	0.5
147.11679	0.7
149.13234	0.6
154.12262	0.8
158.01256	0.4
161.13248	0.6
163.93997	0.4
172.94337	0.8
190.80457	0.4
190.95505	0.5
191.17928	0.8
232.96388	0.7
245.22693	1.0
246.77094	0.5
250.25284	6.6
251.25607	0.4
256.96426	2.0
262.25256	3.3
274.97498	15.0
275.97870	0.7
280.26349	100.0
281.26669	4.1
292.98566	7.9
294.28973	0.4
297.99109	1.2
298.27502	1.1
298.31012	0.6
301.20770	0.4
316.00052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	Cassine
Peak:m/z	Relative Intensity
52.18695	0.5
53.03931	1.5
55.05510	12.5
56.05036	7.5
56.96564	1.0
57.07074	3.4
58.02954	3.2
60.04523	1.5
65.03939	1.7
67.05505	23.1
68.05029	4.1
69.07066	13.5
69.07439	0.6
70.05035	2.0
71.08638	1.0
72.04502	1.4
74.06080	1.0
77.03908	0.7
79.05495	12.0
80.05024	2.9
81.03423	0.7
81.05769	0.7
81.07058	17.7
82.06584	9.5
83.04980	0.8
83.07344	0.6
83.08626	6.6
84.08120	0.8
85.10184	0.9
86.06062	2.5
91.05486	8.8
93.07054	8.4
94.06554	4.4
95.04972	1.9
95.07368	0.7
95.08012	1.1
95.08603	13.8
96.08136	2.3
97.06529	0.9
97.10164	2.4
98.06059	1.2
98.97578	9.9
100.07607	1.9
105.04478	0.6
105.07040	3.2
107.08594	3.1
108.08106	1.4
108.88567	0.6
109.06517	0.6
109.10152	4.7
112.07623	1.6
114.09135	0.7
116.98606	4.2
119.08580	2.8
119.43040	0.5
121.10124	3.7
122.09652	1.3
123.11769	1.1
131.38747	0.6
133.10123	2.5
135.11707	2.2
136.11226	1.1
146.18806	0.7
147.11728	0.8
154.12225	0.9
171.59236	0.5
191.17809	0.7
215.29095	0.6
229.69017	0.6
250.25325	7.0
256.96411	1.3
260.23602	0.8
262.25272	3.4
274.97519	6.5
280.26346	100.0
281.26688	5.3
284.09781	0.6
292.98605	4.2
298.27451	1.1
317.33569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95640	0.2
55.05515	4.0
56.05036	1.3
57.03437	0.8
57.05828	0.2
57.07086	1.9
58.06345	0.4
58.06605	5.4
67.05508	3.3
69.07062	4.2
69.81747	0.7
70.06592	3.0
71.07372	0.8
71.08637	0.9
72.08161	2.4
77.60748	0.2
77.93253	0.2
79.05479	0.6
81.07059	4.6
82.06566	0.6
83.08611	3.2
84.08147	7.9
88.07646	1.2
95.08606	3.7
96.08145	0.3
97.10169	1.7
98.09707	1.2
98.22714	0.2
98.97585	4.2
109.10168	2.0
112.11247	5.2
116.98638	1.8
127.87865	0.2
136.45676	0.3
151.07202	0.2
171.71814	0.3
212.23662	0.6
250.25523	0.3
252.26929	0.9
255.25647	0.3
256.96439	0.7
274.97501	4.3
280.26495	2.2
280.29968	24.9
281.30298	0.8
292.98547	1.6
298.31046	100.0
299.31357	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	298.3106
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
51.28046	0.3
55.05507	3.3
56.05026	1.2
56.96564	0.4
57.03440	2.6
57.07066	1.2
58.06602	3.9
62.91479	0.2
63.96215	0.2
67.05503	2.4
67.77156	0.3
69.07066	2.8
70.06584	1.9
70.72301	0.5
70.72649	0.3
71.07359	0.4
71.08631	0.3
72.08154	2.0
73.30837	0.3
79.05476	0.3
81.07064	3.4
83.08622	2.2
84.08138	7.9
85.06515	0.7
85.10207	0.3
88.07626	0.6
95.08602	3.0
97.10172	0.9
98.09705	1.3
98.96985	0.5
98.97581	5.8
109.10147	1.1
112.11224	1.1
116.98610	2.4
120.38607	0.3
130.45839	0.3
130.51646	0.3
134.99648	0.5
172.94434	0.3
232.80952	0.3
232.96480	0.3
244.22028	0.3
256.96390	0.9
267.68658	0.3
274.97516	4.9
278.58829	0.3
280.29977	23.3
281.30353	1.1
292.98541	2.2
297.99170	0.4
298.31030	100.0
299.31357	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	298.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06460	8.5
69.94446	24.7
72.65519	9.5
75.11421	8.6
84.57869	10.1
90.58589	9.9
104.10770	28.4
105.11107	35.1
112.88940	13.5
112.89598	68.5
114.89341	100.0
116.89150	39.0
128.35437	9.0
128.49449	10.3
129.02277	9.6
131.05806	9.1
136.94034	20.9
164.80870	10.6
180.90466	13.5
194.94548	20.1
196.87852	21.2
213.99962	11.8
214.84955	36.1
216.84889	26.6
222.98848	85.8
224.98683	37.3
238.88864	27.0
239.99568	15.0
261.92865	32.7
262.93103	10.7
263.92685	34.3
280.94699	30.0
281.00369	11.1
298.87775	9.5
298.99063	78.2
299.07065	34.3
312.73209	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	300.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.0
58.06612	5.0
60.05658	1.8
64.26100	1.5
65.74448	1.7
70.06590	31.7
70.06936	2.7
72.08183	5.6
84.08157	1.8
84.61346	1.5
88.08772	4.4
98.97587	100.0
100.71214	1.5
103.43415	1.7
110.07185	1.8
110.09731	3.4
112.08765	3.8
116.07147	5.0
116.33021	2.2
116.98625	66.3
119.01895	2.4
134.99655	25.9
144.10287	3.5
150.33377	2.1
153.00682	3.3
158.09267	2.1
175.11940	3.8
177.00932	1.8
193.03284	5.2
193.95627	1.8
203.15060	2.9
204.02692	2.4
210.96027	3.8
213.12509	2.3
215.09911	5.0
217.08417	1.9
219.02095	5.7
234.96001	5.8
234.99860	2.0
238.11836	2.2
238.91589	1.6
240.08795	3.6
240.11871	3.8
240.98782	6.6
252.97096	5.3
255.14592	2.9
257.97705	2.4
258.99762	69.1
260.00055	3.6
276.97235	12.2
277.00800	85.9
278.00931	3.6
283.17719	3.4
294.98169	6.9
299.98886	2.6
300.10172	3.3
300.17712	2.9
300.20569	24.7
317.99060	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	300.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01178	0.3
55.44927	0.4
56.05032	0.4
56.96549	0.4
58.06590	0.9
59.65861	0.3
60.56359	0.4
68.05057	0.7
70.06591	100.0
71.06913	0.5
72.08147	1.3
74.56848	0.4
79.05496	0.4
79.98635	0.4
81.07056	0.7
82.06600	1.9
84.04496	1.3
84.08149	1.5
86.09706	4.6
87.04481	0.7
89.06036	0.7
91.05462	0.5
93.07034	0.7
94.06571	5.3
95.07375	0.7
96.08144	0.7
98.09710	0.5
98.97585	2.5
108.08132	1.9
110.09683	15.0
112.07603	90.1
113.07939	0.9
113.13064	0.4
113.43993	0.3
114.59805	0.4
116.07090	6.2
116.98628	1.4
120.08120	1.1
128.10762	1.2
129.10223	0.4
130.18576	0.4
133.08563	0.6
134.99654	0.4
138.09142	3.4
140.07063	57.5
141.04230	0.4
141.07469	0.9
143.08167	1.4
144.06590	1.4
144.10204	0.8
151.08253	0.4
154.08720	0.4
156.10184	2.8
157.09740	4.7
157.13318	0.9
161.09286	1.9
170.11760	18.8
171.12048	0.5
181.92575	0.4
185.12924	1.0
187.10828	1.3
195.01077	0.9
220.24585	0.4
240.13631	1.0
240.15950	0.8
258.99918	1.7
268.13065	2.1
276.97607	0.8
277.00894	1.4
282.17194	0.6
282.20569	0.9
290.38193	0.4
300.15756	1.5
300.18143	25.0
300.21683	3.1
301.12540	15.3
301.18518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14344	5.1
55.01866	5.3
55.05506	7.1
67.05508	21.4
69.03428	9.3
69.07069	17.5
69.26985	4.9
69.64297	17.7
70.06586	6.1
79.05495	36.5
81.07055	40.7
81.15131	4.6
83.04975	15.3
83.08624	5.6
84.91193	8.6
85.06525	8.7
86.09727	7.0
89.06041	7.0
91.05487	31.3
93.07040	81.0
95.04980	16.6
95.08611	22.1
97.06526	36.9
98.97604	18.0
105.07036	56.7
107.04968	18.7
107.08595	49.9
109.06544	32.3
109.10165	5.5
111.04450	11.3
111.08102	8.5
114.30470	4.9
116.98612	6.9
117.07028	16.3
119.08588	20.4
121.06534	28.8
121.10162	8.4
125.05999	29.5
129.07016	7.3
131.08549	22.9
133.06528	6.7
133.10107	8.1
135.08054	25.7
135.11710	15.9
137.05992	48.7
138.39206	5.2
143.08562	10.1
144.10226	8.5
145.06483	10.3
145.10124	100.0
146.10521	5.7
147.08073	9.1
147.11726	14.8
149.13289	4.7
151.07550	16.1
152.33583	5.1
153.09134	11.7
154.07722	6.3
157.08629	24.5
158.07274	9.7
158.90569	4.3
159.08037	11.2
159.11705	62.6
163.11183	94.9
163.12459	9.8
167.10718	13.8
169.10089	13.2
171.10158	13.6
172.08868	6.9
173.09615	93.9
177.12753	7.9
181.12254	18.2
187.11163	65.6
189.12723	5.3
191.10684	50.4
194.10663	5.4
197.09586	9.9
205.12209	25.5
209.11722	6.5
215.10674	59.6
219.13809	19.7
227.12808	16.6
231.95609	4.4
233.11754	65.0
247.13269	26.8
249.70349	4.5
251.12744	21.2
258.05231	32.6
258.07553	5.1
258.27332	4.4
258.99899	7.2
265.14423	20.7
269.13773	5.8
269.17398	6.9
276.97562	9.0
277.00830	9.3
282.24329	6.3
283.15250	5.6
286.04663	29.6
300.25500	11.8
300.28757	11.9
301.06992	64.8
301.21698	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87828	6.0
55.01856	6.8
55.05515	13.2
56.70762	5.8
67.05511	13.0
69.03426	7.0
69.07076	13.0
70.06706	11.6
71.04987	21.8
73.57754	5.0
79.05500	18.4
81.07056	56.2
83.04981	23.3
85.06567	11.2
86.06050	6.0
89.06040	8.5
90.55524	5.4
91.05457	26.0
93.07049	34.3
95.04974	22.5
95.08619	12.6
97.06543	24.3
98.23384	7.0
98.97565	29.2
99.04478	9.2
99.08115	20.4
102.04009	5.3
104.78391	5.1
105.07027	49.0
107.08601	52.6
109.06516	31.4
116.98640	21.0
117.07020	13.9
118.78454	6.5
119.08612	18.3
121.06490	8.8
121.10152	23.9
125.05997	62.2
127.07568	8.9
131.08612	25.7
133.06488	6.8
133.08598	8.8
134.99683	10.2
135.08102	6.4
135.11702	17.7
137.05971	13.3
141.09117	17.9
143.07051	83.7
143.08261	9.6
143.08574	8.6
144.09303	7.2
145.06479	9.1
145.10118	100.0
147.11752	6.1
159.11688	43.3
163.07512	5.8
163.11206	27.4
166.86304	6.0
169.10078	6.1
173.09605	33.9
187.11185	66.4
191.10637	41.1
195.13878	17.7
205.12207	49.3
209.11739	18.8
215.10664	52.6
219.13829	18.3
223.13326	16.6
233.11693	42.5
241.73964	5.7
247.13333	18.2
251.12782	25.5
265.14401	20.7
276.97791	15.0
277.00876	9.6
282.27945	8.2
283.15280	43.4
300.29211	6.9
302.12271	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	300.1806
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
55.05503	1.0
56.05045	0.4
56.96539	0.5
57.03460	0.3
58.06590	1.1
67.05502	1.6
68.05009	0.5
69.07059	0.6
69.68810	1.0
70.06586	4.8
72.08171	0.4
73.06539	0.6
79.05474	2.2
80.05010	0.7
80.71098	0.3
81.05795	0.3
81.07058	2.0
82.06573	1.2
83.04967	0.5
83.07341	0.4
84.08144	0.9
86.06064	1.7
86.09699	0.6
89.06048	1.5
91.05469	1.5
93.05796	0.5
93.07047	2.1
94.06567	1.0
95.04953	0.5
95.07363	0.4
95.08601	1.0
96.08124	4.7
97.06540	0.5
97.08896	0.8
98.09705	2.1
98.97578	2.4
105.07021	1.3
107.08587	0.8
108.08131	3.0
109.08883	1.2
110.06029	1.0
110.09669	3.0
111.06826	1.1
114.09169	1.8
116.98622	1.7
117.07026	0.3
119.08578	0.9
120.08098	10.7
121.08904	4.1
121.10179	0.7
122.08820	0.6
122.09665	9.4
122.10554	0.5
124.07590	2.0
126.09125	1.0
128.10701	1.6
133.08614	0.6
134.99663	0.6
136.06178	2.9
136.11169	0.5
137.11920	0.3
138.09135	3.3
138.66801	0.3
139.09911	14.5
145.10054	0.3
156.10194	45.5
157.10480	0.8
165.67119	0.3
177.11227	0.3
210.14876	1.3
220.20619	1.7
246.18449	0.5
256.15390	1.1
258.99747	0.9
264.19595	8.1
276.97610	1.0
277.00879	1.3
282.17401	0.6
282.20602	9.4
283.17505	1.2
289.23987	0.4
294.98392	0.5
300.18045	100.0
300.21664	37.2
301.14456	0.8
301.18375	5.0
301.22000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1808
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
55.05497	1.1
56.05043	2.5
56.96578	0.7
58.06606	0.9
67.05486	0.6
67.28789	0.4
68.05022	2.1
69.07053	0.8
70.06591	15.8
70.55119	0.6
70.55429	0.5
71.99427	0.4
72.08159	2.1
79.05489	2.1
81.07053	2.5
82.06580	7.5
83.05013	0.5
84.08152	2.4
86.09708	5.0
87.04475	2.5
89.30607	0.5
91.05478	0.9
93.07060	2.5
94.06567	11.1
95.04929	0.4
95.07359	3.5
96.08149	1.8
97.06548	1.0
98.09719	1.1
98.97584	1.5
102.05542	0.5
108.08130	9.4
110.09681	75.4
111.10029	1.3
112.07600	0.9
115.42766	0.5
116.07109	6.4
116.98634	0.6
120.08096	3.2
126.09153	0.9
128.10753	3.7
129.10228	0.6
130.75484	0.5
138.09138	11.0
139.08685	0.5
139.09892	1.3
140.07117	0.7
141.10185	1.0
142.12262	2.6
146.03860	0.5
154.08641	1.2
156.10211	7.8
157.13353	1.8
169.09753	1.4
169.13403	1.1
170.11763	98.3
171.12175	3.0
171.27519	0.5
185.13008	0.6
195.01138	1.6
197.12924	1.1
229.15498	1.1
237.31630	0.5
240.15889	2.6
251.67194	0.5
258.99756	0.8
264.19473	0.5
275.35818	0.5
277.00620	0.7
282.17395	0.7
282.20612	1.8
283.17468	0.5
294.98557	0.6
300.18060	100.0
301.09137	0.7
301.12540	13.6
301.18149	4.2
301.21863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.7
56.96519	0.5
58.06601	1.2
60.60001	0.5
61.81360	0.5
62.96879	0.5
67.98586	0.5
68.05025	1.6
69.07068	1.1
69.11479	0.5
69.24306	0.6
69.96769	1.2
69.97100	0.5
70.06594	46.4
71.06936	1.1
72.08154	3.1
79.05485	1.5
81.07045	2.4
82.06583	8.0
84.08134	2.3
86.09708	14.6
87.04472	2.9
88.04001	0.9
89.06033	1.0
91.05477	0.6
93.07058	2.8
94.06563	3.1
95.07365	3.7
96.08128	1.0
97.06530	1.1
98.09669	0.9
98.97595	0.6
108.08121	9.8
110.09682	87.2
111.09988	1.8
114.67989	0.5
116.07098	23.1
116.98627	0.8
120.08093	1.5
123.08081	0.7
128.00941	0.5
128.10733	4.1
132.10187	1.1
134.99722	0.6
138.09132	4.3
139.09932	0.8
141.10223	4.9
142.12256	1.3
149.00548	1.7
154.08649	1.3
156.10199	3.0
157.13371	8.0
169.09727	6.7
170.11765	100.0
171.12100	3.0
185.12843	2.1
185.46860	0.6
195.01106	4.4
201.12460	0.8
229.15483	5.4
240.15990	6.0
264.19473	0.6
277.00854	0.8
282.20584	2.0
300.18079	76.5
300.21655	5.4
301.12585	5.3
301.18234	3.5
301.21701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.9
67.04288	0.5
67.05470	0.4
69.07058	1.6
70.06595	51.9
70.29643	1.1
72.08172	2.2
79.05489	1.0
81.03428	0.7
81.07055	1.2
82.06576	1.6
84.08154	0.9
85.02916	0.5
86.09709	58.4
87.10046	1.0
91.05471	0.7
93.07060	0.7
96.08157	0.8
97.06534	1.1
98.09687	1.1
98.97607	0.9
100.98142	0.6
104.10503	0.5
108.08101	0.8
110.06034	2.1
110.09688	8.4
113.00381	0.4
114.09192	0.7
115.99906	0.5
116.07097	100.0
117.07439	1.0
138.05530	2.2
141.10188	1.3
142.08636	0.6
142.12285	1.2
157.13371	28.4
169.09726	1.7
170.11772	9.4
173.12917	1.0
185.12859	11.7
186.13084	0.6
201.12292	0.6
203.13867	0.5
229.15504	1.5
240.15974	1.1
264.19678	0.6
277.00833	0.5
282.20731	2.5
300.18173	8.9
300.21722	17.4
301.12549	0.7
301.22137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01870	0.9
55.05505	1.1
56.05028	0.6
56.70667	0.3
57.03440	7.8
59.04993	0.3
67.05508	2.9
68.32568	0.3
69.07070	4.6
70.06596	1.2
71.04999	1.0
72.04515	0.6
72.07791	0.3
72.08154	7.0
74.06089	0.5
77.03923	0.4
79.05494	9.2
81.03416	0.9
81.07057	4.1
83.04969	1.3
84.08152	0.6
85.06557	0.3
85.08907	0.6
86.09711	1.0
87.02577	0.3
87.17072	0.3
91.05477	3.5
93.07045	3.2
95.04960	1.3
95.08604	4.2
96.08106	0.7
97.06528	5.5
98.09692	10.8
99.08114	1.8
102.09161	0.5
105.04468	0.3
105.07021	3.8
107.04948	2.1
107.08598	1.1
108.08134	0.3
109.06519	0.8
109.10133	0.4
110.09693	1.6
113.05938	0.3
113.09650	1.7
115.07533	0.5
117.07028	1.4
119.08575	4.4
121.06505	1.0
121.10166	1.0
123.08079	0.5
124.11227	0.6
125.06011	2.1
125.09606	0.3
128.10713	7.6
128.35439	0.3
129.07014	0.3
131.08563	1.3
133.10121	1.7
137.09575	0.4
142.12267	3.7
143.07018	1.0
143.08527	0.4
145.10115	0.7
147.08066	1.4
149.09633	0.4
158.15459	0.4
159.11641	1.4
161.09576	0.8
164.44075	0.3
165.09167	0.4
173.13283	0.8
175.56271	0.3
201.12784	0.5
219.13789	0.5
220.20734	0.3
237.14610	0.4
238.21683	0.7
256.22675	0.9
264.19540	1.1
282.20645	6.2
300.21686	100.0
301.21997	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	300.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05507	0.9
56.05032	0.5
57.03428	1.2
58.06608	0.7
67.05502	1.4
69.07069	25.5
69.45116	0.3
70.04474	1.0
70.06575	0.6
70.07397	0.4
72.04501	0.6
72.08151	3.8
73.06560	3.7
76.05610	0.3
79.05499	7.5
81.03420	1.1
81.07055	1.9
84.08159	0.4
85.08934	0.4
86.09696	0.9
91.05492	2.5
93.07030	1.5
95.08591	1.3
96.08125	1.5
97.06532	10.0
98.09698	13.1
98.23447	0.4
98.64005	0.3
99.08100	1.1
105.07027	1.2
107.08581	0.6
108.28932	0.3
110.09658	0.5
114.09152	1.7
115.07569	2.1
117.07027	0.5
119.08556	0.9
121.06526	0.7
121.10168	0.3
124.11263	0.6
125.05109	0.7
125.05994	11.4
128.10780	0.6
130.35052	0.3
131.08574	0.5
133.10126	2.2
135.11670	0.5
142.12270	12.7
143.07034	16.7
154.98274	0.3
161.08086	2.2
161.09409	0.6
173.13289	1.4
179.01385	0.3
264.19629	1.7
282.20654	4.3
296.94205	0.4
300.21692	100.0
301.22046	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	300.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.9
57.03427	2.7
57.07075	3.8
58.06608	4.9
67.05508	6.1
69.07079	4.6
69.63960	4.1
70.06593	12.4
71.08624	1.7
71.81226	1.4
78.29404	1.3
79.05498	4.8
80.94857	3.3
81.07066	5.0
83.08632	2.2
84.08152	1.5
86.09705	1.5
88.07637	1.7
89.06023	3.6
91.05492	9.5
93.07066	5.3
95.04973	1.9
95.08615	3.3
96.08159	4.7
98.97578	7.7
100.97241	1.6
103.05477	2.7
103.85856	1.3
105.07048	3.0
107.08628	1.8
108.08186	2.0
111.43472	1.3
113.45272	1.2
114.09185	2.5
115.05448	6.7
116.98643	5.2
117.07011	2.9
119.08602	2.2
120.08146	1.3
127.05450	1.5
127.97599	1.4
128.06229	13.5
129.07042	8.3
132.08153	1.8
132.10242	5.0
133.08601	2.5
134.99704	2.4
141.07019	5.0
142.07854	2.5
143.08585	2.8
144.08148	2.5
145.06506	1.8
145.08897	1.8
145.10139	1.8
146.11786	2.0
153.06973	2.0
155.06059	2.8
155.08592	3.6
156.08121	2.0
157.10204	1.7
158.09682	3.0
165.07066	2.2
167.08699	1.3
179.08591	1.9
180.89452	3.4
184.11206	2.1
210.12840	1.3
217.50060	1.2
218.55838	1.3
238.25365	4.2
240.23183	1.9
248.75487	1.6
253.96538	1.7
262.25439	1.3
264.26907	15.4
276.97589	3.0
277.00806	2.3
282.22171	38.9
282.27832	12.8
283.22592	1.7
294.98462	2.0
295.96048	2.2
300.23337	20.5
300.29080	100.0
301.29330	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	300.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25402	0.2
55.05511	2.5
56.05029	1.5
57.03227	0.2
57.03441	1.5
57.07066	0.2
58.06335	0.3
58.06597	3.3
58.54619	0.2
65.54412	0.2
67.05502	2.2
69.07066	2.0
69.59961	0.4
69.60349	0.4
70.06589	1.8
70.11572	0.2
71.04988	0.3
71.07359	0.5
72.08148	1.6
79.05491	0.6
80.77499	0.2
81.07058	3.4
83.08618	1.5
84.08141	7.6
85.06552	0.3
88.07620	0.5
91.05494	0.4
93.07038	0.5
95.08609	3.8
96.08085	0.3
97.10152	0.5
98.09691	0.6
101.05962	0.3
105.07036	0.4
107.08578	0.6
109.10152	1.5
110.09660	0.2
112.11236	0.8
119.08585	0.5
121.10168	0.3
123.11727	0.3
125.09649	0.2
133.10112	0.4
135.11635	0.3
147.11722	0.2
149.13269	0.2
161.13263	0.3
163.13506	0.2
187.65588	0.2
210.18588	0.5
228.19518	0.2
264.23187	2.3
282.24265	23.7
283.24588	1.2
300.25311	100.0
301.25629	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	300.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.2
57.03436	2.2
58.06606	2.9
59.50804	1.7
59.72429	1.6
67.05502	4.0
69.07070	2.2
69.34288	8.5
70.06579	4.0
72.08148	2.6
77.92417	1.4
79.05463	2.0
81.07049	5.2
84.08128	5.5
89.06033	3.3
95.08606	6.7
98.97585	14.9
116.98624	9.8
134.99641	4.0
156.06302	3.1
166.68735	1.8
177.55069	1.6
188.07391	2.1
188.08913	13.8
255.18059	3.7
256.18774	3.6
258.99792	4.4
276.97513	3.5
277.00900	5.5
282.24261	21.7
294.98322	3.7
295.96005	3.3
300.11786	2.2
300.25302	100.0
301.14011	2.9
301.25677	3.0
301.97699	1.6
304.17029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94638	0.3
52.46003	0.3
53.94564	0.3
55.05501	2.3
56.05035	1.5
57.03436	1.8
57.07065	0.4
58.06601	3.8
59.12356	0.3
67.05502	2.1
67.41294	0.3
69.07058	2.0
69.80910	1.0
69.81262	0.4
70.06591	1.9
72.08145	1.6
79.05467	0.5
81.07057	3.5
83.08612	1.3
84.08141	8.3
85.06513	1.0
88.07619	0.9
93.07027	0.8
95.08599	4.0
96.08138	0.4
97.10158	0.4
98.09693	0.9
98.97585	1.6
105.07049	0.5
107.08584	0.5
109.10149	2.0
112.11244	1.1
116.98641	1.1
123.11705	0.4
125.06425	0.3
129.83806	0.4
134.99663	0.4
135.11697	0.5
161.13277	0.5
181.80219	0.4
228.14429	2.4
255.11244	0.4
256.17386	0.4
258.19217	1.5
264.23206	2.6
266.39096	0.3
276.97519	0.8
277.00800	0.4
282.24277	24.2
283.17346	0.3
283.24649	1.3
294.98718	0.4
300.20450	5.0
300.25311	100.0
301.20450	0.6
301.25623	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	300.2897
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05515	3.0
56.05039	0.6
56.96571	0.3
57.03428	1.0
57.07075	2.0
57.14175	0.3
58.06602	3.8
58.36908	0.3
59.05001	0.4
60.58297	0.3
62.98239	0.4
65.75607	0.3
66.64260	0.3
67.05496	2.5
69.07069	3.2
69.94513	0.8
70.06598	2.9
71.08637	0.6
72.12314	0.3
74.06092	1.4
79.05489	1.0
80.94858	0.7
81.07051	2.7
82.06594	0.6
83.08618	2.1
84.08138	0.8
85.06519	0.4
85.10191	0.4
88.07638	0.6
89.06033	0.7
91.05481	1.2
93.07036	1.3
94.06566	0.4
95.08623	2.3
96.08144	1.6
97.10172	0.8
98.22794	0.3
98.97581	2.5
105.06991	0.4
106.08639	0.3
107.08571	0.5
109.10152	1.0
110.09703	0.8
114.09125	0.6
115.05409	0.3
116.98604	1.6
119.08604	0.3
128.06210	1.5
129.07004	0.8
132.10205	0.9
133.08528	0.4
134.99658	0.8
141.06987	0.3
146.11682	0.6
158.09705	0.4
180.89438	0.4
198.22096	0.4
236.68323	0.3
238.25291	5.5
239.25687	0.3
254.96150	0.5
264.26862	17.8
265.27216	0.7
276.97839	0.7
277.00922	0.4
282.22198	3.1
282.27902	7.2
283.28317	0.4
295.95932	0.7
300.28973	100.0
301.29303	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2899
Annotation	Sphingosine
Peak:m/z	Relative Intensity
52.93913	0.5
55.05511	6.2
56.05022	1.5
56.96555	0.4
57.03430	1.1
57.07066	0.7
58.06597	2.6
67.05160	0.6
67.05504	8.9
68.95815	0.4
69.07066	5.5
69.54462	2.2
70.06233	0.7
70.06595	10.9
72.16730	0.4
74.06077	1.2
79.05480	1.8
81.07058	10.9
83.08627	3.1
83.14502	0.5
84.08147	1.7
89.06022	0.9
89.90617	0.5
93.07041	2.0
95.08028	0.7
95.08609	9.9
96.08154	0.7
97.10151	1.5
98.09717	2.8
98.97581	4.0
105.60343	0.5
107.08584	1.2
109.10150	3.8
116.98628	2.5
118.98165	0.6
121.10168	0.7
123.11715	0.8
134.99648	1.0
135.11673	0.5
194.04395	0.5
216.87785	0.4
254.24905	1.1
258.99789	1.2
264.26767	2.5
276.97354	2.0
277.00833	1.6
282.27905	34.8
283.28201	1.6
294.98535	0.8
295.96085	0.6
300.28949	100.0
301.14001	0.6
301.29245	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	300.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
56.05037	0.6
56.35053	0.5
56.96560	0.7
57.03458	0.7
58.06590	1.8
67.05505	7.4
69.07071	5.0
69.42875	0.6
69.59108	1.7
70.06595	15.8
79.05481	0.9
80.94862	0.5
81.07059	7.3
82.07369	0.6
83.08618	2.6
84.08145	1.2
89.06028	1.2
93.07053	1.1
95.08603	7.3
96.08215	0.5
97.10165	1.1
98.09672	1.5
98.23381	1.0
98.97594	3.6
107.08572	0.6
109.10167	3.3
116.98614	2.8
123.11726	0.8
133.08571	0.6
134.99669	1.0
161.62239	0.5
162.51591	0.4
172.02319	0.5
175.75273	0.5
180.89447	0.6
185.42480	0.5
200.20030	0.5
225.86279	0.6
242.19614	0.5
250.97318	0.5
258.99695	1.4
264.26855	2.2
276.97849	1.1
277.00864	1.2
282.27921	57.1
283.28220	1.9
294.42557	0.5
294.98425	0.7
295.96051	0.7
300.19833	3.6
300.28967	100.0
301.14114	1.2
301.29401	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	300.2898
Annotation	Sphingosine
Peak:m/z	Relative Intensity
53.85466	0.3
55.05512	3.4
56.05026	0.8
57.03181	0.6
57.03441	8.6
57.07070	1.5
58.06611	0.7
67.05502	4.5
69.07071	8.4
69.70078	1.1
69.70458	0.6
69.85709	0.4
70.06596	1.1
71.04989	0.8
71.08640	1.5
72.04521	0.9
72.08158	4.7
75.76772	0.4
79.05495	2.4
81.07057	6.9
83.04959	0.6
83.08630	3.8
86.09747	0.5
91.05483	0.6
93.07054	1.7
95.08607	7.3
96.08113	0.5
97.06534	2.5
97.10170	0.8
98.09692	13.1
98.97589	1.2
99.08092	1.9
102.09192	0.8
102.50296	0.4
107.08602	1.5
109.10159	2.2
110.09656	0.4
111.08101	0.5
112.11234	0.5
113.09663	2.2
115.07529	0.4
115.38973	0.4
116.98598	0.4
121.10184	0.9
123.11686	1.0
124.11239	0.6
125.09617	0.6
135.11696	0.9
142.12268	4.9
149.13266	0.7
158.15482	0.6
164.08981	0.4
233.36623	0.4
237.22189	1.2
245.23053	0.4
264.26965	0.6
276.97525	0.7
282.27908	9.4
294.98532	0.4
300.28970	100.0
301.07684	0.9
301.29282	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	300.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64886	1.2
55.05499	5.2
57.03414	1.2
57.07061	4.4
58.06587	3.4
67.05492	3.6
69.07059	5.5
69.81702	3.5
70.06586	9.9
72.04533	1.4
74.06080	3.4
79.05460	1.7
79.98956	1.2
80.94856	3.6
81.07035	4.2
82.94531	1.7
83.08611	3.1
86.09712	1.2
88.07599	1.4
89.06026	2.7
91.05500	1.6
93.07036	1.7
94.25922	1.4
95.08613	5.0
96.08112	2.1
98.97589	9.1
100.97160	1.7
106.08653	1.5
114.09185	1.6
116.98619	8.0
132.10170	3.0
134.99632	2.4
146.11758	1.8
180.89497	2.0
238.25327	4.9
258.99951	1.5
264.26892	16.1
276.97534	3.7
277.00674	2.1
282.22238	4.1
282.27881	30.8
283.17413	2.0
294.98340	1.4
300.23376	2.6
300.28973	100.0
301.29321	4.3
302.21185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.29
Annotation	Sphingosine
Peak:m/z	Relative Intensity
53.03938	1.7
55.05256	1.0
55.05511	13.6
56.05033	2.4
57.03439	4.0
57.07080	2.4
58.06602	13.0
59.04995	1.5
62.48982	0.7
67.05507	18.0
69.07068	14.9
69.98751	2.0
70.06595	10.8
71.04988	1.2
74.06067	4.7
74.31969	0.7
78.14842	0.8
79.05499	4.4
81.07054	21.1
82.06562	0.8
83.08617	10.3
84.08147	2.0
91.05502	4.8
93.07048	2.4
94.06518	0.7
95.04970	1.0
95.08609	22.7
97.10164	4.6
98.97552	0.9
103.05462	0.9
105.07034	1.9
107.08580	0.9
109.10168	9.3
111.11762	0.8
115.05443	1.8
117.06987	1.4
119.08568	1.2
121.10199	1.1
123.11713	2.0
128.06238	5.6
129.07019	2.7
129.60603	0.7
131.07315	0.7
131.08559	1.0
141.07008	2.1
143.07396	0.6
143.08597	1.0
145.06511	0.7
145.08878	0.8
145.10143	0.9
153.06998	0.7
155.08534	0.7
158.09619	0.9
163.58759	0.8
165.06987	1.1
167.08594	1.2
196.11314	1.0
203.91557	0.7
224.23930	0.8
264.24042	1.9
264.26855	37.9
265.27255	1.6
282.22177	12.2
282.27893	21.0
283.22455	1.0
283.28275	1.1
300.23276	6.2
300.28989	100.0
301.29507	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	301.0709
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.25124	0.3
55.05483	0.3
64.65253	0.3
67.05456	1.2
69.07034	0.9
70.06561	0.5
71.04922	0.5
72.08145	0.4
79.05452	0.6
81.07054	2.2
83.04958	0.4
86.09708	7.7
90.60140	0.3
91.05443	1.0
93.06983	1.2
95.08569	0.7
98.97534	1.0
102.96800	0.3
105.06988	0.8
107.08579	0.6
116.98628	0.4
119.08525	1.0
121.10129	0.5
128.10721	2.7
131.08514	0.6
133.10042	0.7
134.99638	0.4
135.11661	0.5
144.10213	0.4
145.10149	0.4
146.11763	3.4
153.01767	1.1
156.10165	0.4
159.11642	0.9
177.12761	0.5
193.24509	0.3
198.82364	0.3
205.33015	0.3
209.51204	0.3
229.04955	0.9
257.04504	0.7
258.05240	35.1
259.05490	1.2
269.17487	1.1
278.96884	0.3
282.28098	0.4
286.04721	52.4
287.05072	1.7
301.07074	100.0
302.07388	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	301.1647
Annotation	Strobilol C
Peak:m/z	Relative Intensity
50.79601	1.3
51.99048	1.2
53.03944	5.1
55.01873	20.8
55.05509	17.2
57.03185	2.8
57.03440	37.6
59.04979	1.9
61.64656	1.3
65.03937	3.1
67.05505	76.2
68.05809	2.1
69.07070	13.3
70.06602	6.5
70.10406	3.7
71.04988	6.5
72.08144	1.6
73.02917	2.8
74.09615	1.2
76.78559	1.1
77.03931	1.6
79.05495	73.5
80.05839	1.9
81.03417	11.4
81.07057	48.8
82.07399	2.2
83.04984	31.0
83.08611	6.8
84.08143	1.5
85.02901	4.5
85.06551	7.1
86.09686	3.2
91.04936	2.4
91.05481	35.0
93.03417	2.9
93.07043	69.0
94.07377	1.4
95.04962	20.9
95.08604	23.9
96.08961	2.6
97.02852	1.2
97.06533	20.7
98.23425	2.0
99.04452	9.4
99.08108	1.4
101.02384	1.7
105.04500	4.0
105.07035	14.3
105.46062	1.3
107.04961	50.5
107.08591	30.0
109.06532	7.3
109.10158	8.3
111.04440	42.1
111.08092	10.5
111.65372	1.4
111.66266	1.3
113.05998	1.9
115.02129	1.4
115.05470	2.0
117.07014	22.0
119.06116	1.3
119.08575	21.8
121.06502	7.0
121.10146	59.2
123.04416	3.6
123.08085	4.2
125.06006	4.3
129.07004	7.1
130.07806	3.1
131.04951	4.1
131.08572	17.9
132.05742	1.5
133.10112	2.5
135.08069	6.3
135.11694	45.3
137.09648	1.5
143.08562	1.8
144.08034	1.7
145.06535	9.9
145.10124	54.4
146.10440	3.3
147.08049	3.4
147.11696	2.1
149.09595	10.9
153.12753	15.4
155.08542	11.0
163.11183	68.0
164.11598	2.9
173.09615	37.1
181.12230	29.5
182.82390	1.5
191.10677	39.3
209.11711	20.8
227.12781	22.3
241.19928	5.1
265.14420	5.7
283.15430	15.4
283.24585	5.8
301.16470	100.0
301.21533	8.6
301.25705	9.6
302.16785	5.2
302.23224	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01615	1.8
55.01871	25.2
55.05505	10.8
57.03182	1.6
57.03438	22.2
57.07084	1.2
59.05011	1.3
65.03938	1.5
66.92304	1.1
67.05505	34.7
67.52795	1.0
69.03449	1.1
69.07066	5.7
69.60495	4.2
70.02045	1.0
70.06593	4.0
71.04998	6.2
73.02902	2.4
79.05494	23.3
80.36400	0.9
81.03406	1.2
81.07053	22.7
83.04985	54.0
83.08627	8.4
85.02902	6.8
85.06548	4.3
86.09689	2.3
91.05483	11.5
93.03393	1.2
93.07046	34.7
95.04967	5.4
95.08603	11.6
97.06544	14.5
99.04458	8.9
99.08092	3.2
101.02368	1.7
105.07036	4.8
107.04955	6.7
107.08595	19.7
109.06521	1.3
109.10153	19.5
111.04445	100.0
111.08083	28.3
111.48164	1.0
112.04801	1.9
117.07031	7.6
119.08585	11.3
121.06488	3.7
121.10136	22.9
125.06004	5.0
129.06998	2.2
131.08565	10.7
133.10088	1.7
135.08017	2.6
135.11700	28.9
139.07579	1.8
145.06448	1.7
145.10124	20.9
147.11728	4.1
149.09573	9.4
149.10469	0.9
153.01825	1.9
153.12746	39.6
154.13107	1.2
155.08572	3.4
163.11183	57.2
164.11528	1.2
171.36827	1.1
173.09637	12.6
181.12234	70.2
182.12573	1.7
182.19908	1.4
191.10672	70.0
192.10933	2.7
199.13266	1.5
209.11739	23.8
219.24492	1.0
227.12791	86.2
228.13206	3.6
229.04945	2.9
255.11333	4.0
258.05246	33.9
283.15408	12.3
286.04706	52.0
287.05057	2.2
301.07074	90.9
301.16446	68.2
302.07404	6.0
302.16910	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01870	21.3
55.05511	13.3
56.07668	1.0
56.24846	1.1
57.03178	1.6
57.03439	18.2
57.07065	1.6
57.66749	1.1
59.04993	1.2
60.11783	1.2
65.03952	1.5
67.05155	2.3
67.05505	36.1
68.05850	1.8
69.03416	1.9
69.07054	7.9
69.12858	3.1
69.13277	4.5
70.06580	7.1
71.04987	4.8
71.06937	1.4
73.02922	2.7
77.03938	1.0
79.05492	23.6
81.03439	2.6
81.07059	25.1
82.07407	1.5
83.04984	53.7
83.08619	9.2
84.08150	2.6
85.02895	6.2
85.06539	4.7
86.09709	2.1
91.05476	10.9
93.07043	33.8
94.07404	1.6
95.04975	5.3
95.08606	12.5
97.06525	13.0
97.10210	1.4
98.97596	2.0
99.04465	10.1
99.08092	4.3
101.02408	2.1
105.04474	1.1
105.07051	8.4
105.48624	1.2
107.04973	6.3
107.08595	19.6
109.06527	1.8
109.10163	18.6
111.04443	100.0
111.08082	27.7
112.04768	2.6
112.08472	1.4
113.06010	1.3
117.07034	6.8
119.08585	13.2
119.28703	1.1
121.06528	4.7
121.10149	23.3
123.08018	1.4
125.05995	4.3
129.05490	1.4
129.07021	3.6
131.08580	10.8
133.10127	1.9
135.08081	3.0
135.11690	28.7
137.09595	1.3
139.11249	1.6
145.10130	23.3
145.11224	1.9
147.11661	6.5
149.09624	7.6
153.12744	40.9
155.08578	3.5
163.11186	53.6
164.11447	1.7
173.09599	12.7
181.12236	70.9
182.12599	3.4
191.10672	69.7
192.11015	3.3
209.11731	18.6
227.12781	97.4
228.13118	3.3
255.11366	2.7
258.05200	2.8
271.14490	1.8
283.10767	1.4
283.15399	21.3
283.20520	1.2
283.24576	3.9
284.15808	1.5
286.04764	4.9
301.07159	8.1
301.16479	79.4
301.21814	3.7
301.25473	10.7
302.16602	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35495	1.7
53.03940	6.6
55.01868	23.6
55.05511	19.1
57.03436	41.5
57.07073	3.2
58.06589	8.4
64.78188	1.9
65.03931	5.2
67.05502	68.9
67.05866	3.6
69.02401	1.7
69.07063	17.6
69.49660	9.4
70.06576	4.0
70.81728	2.1
71.05008	6.8
72.08155	6.6
73.02914	4.8
73.40066	1.7
79.05490	77.4
81.03409	12.4
81.07052	59.5
83.04980	31.7
83.08624	6.9
84.08155	2.8
85.02895	6.4
85.06532	9.5
86.09705	49.3
91.05471	38.2
93.03430	2.0
93.07040	67.3
95.04964	26.3
95.08601	27.9
97.06535	21.9
98.09689	5.4
98.22682	3.8
99.04475	6.5
99.08086	4.0
103.05489	3.6
105.04518	2.5
105.07056	16.2
107.04948	54.3
107.08585	34.3
109.06528	6.1
109.10165	8.2
111.04439	48.2
111.08070	9.8
115.07545	2.1
116.06227	3.0
117.07008	25.6
119.08575	22.2
121.06527	8.0
121.10142	59.8
123.04458	4.3
123.08117	8.0
125.06024	5.8
127.07514	2.1
128.10733	3.5
129.07034	6.4
130.07693	2.9
131.04904	6.2
131.08568	19.9
132.10239	7.1
133.10153	4.6
135.04407	2.8
135.08051	2.7
135.11684	47.5
135.12637	3.4
142.12285	4.0
143.07098	2.5
143.11798	30.1
144.87425	1.8
145.06429	9.6
145.10117	61.0
145.11220	3.5
147.08057	5.3
147.11700	4.4
149.09630	10.1
153.12723	21.2
155.08514	11.1
163.11176	77.7
164.11525	3.4
170.06204	2.0
171.11343	8.1
173.09608	42.7
181.12244	36.4
191.10661	51.4
209.11685	22.9
227.12816	25.5
265.14377	5.0
266.21140	2.6
283.15320	18.0
283.20834	3.3
284.22241	7.8
301.03607	2.6
301.06827	3.5
301.11588	4.2
301.16516	100.0
301.21860	29.4
301.25363	3.5
302.16888	5.8
302.23245	73.8
302.26611	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01853	1.2
57.03431	4.5
58.06600	1.0
61.02922	2.5
65.03931	1.6
67.05505	27.6
69.03063	1.0
69.03429	17.2
69.07070	35.2
70.02962	0.9
70.06595	3.6
70.38906	1.4
71.04984	1.5
72.08144	2.1
72.61867	0.6
73.02908	1.9
78.49200	0.6
79.05486	2.1
80.01748	0.6
81.03413	4.8
81.07059	1.5
83.05039	0.9
84.04505	2.2
84.08150	6.6
85.02907	44.1
86.02417	0.7
86.03253	0.9
86.09715	3.7
91.03965	0.7
93.07057	0.7
94.06561	1.7
95.04967	39.5
96.05302	1.1
96.08112	1.0
97.02893	31.9
98.09681	2.4
99.04484	3.2
103.03944	3.1
108.08118	1.9
109.02882	6.5
109.57872	0.5
110.07180	0.8
111.12423	0.5
112.07608	32.2
113.06039	2.9
114.09167	0.7
122.06033	2.4
122.09668	0.7
122.69246	0.6
123.04437	1.9
124.07578	1.7
126.09171	3.1
127.03931	9.0
127.07557	0.9
128.10716	2.7
129.10240	2.5
130.04988	2.7
132.08435	1.2
136.07582	1.8
140.07065	100.0
141.07420	1.5
142.12283	0.9
144.09061	0.9
144.10197	18.2
145.04961	5.5
147.07658	2.5
150.09120	0.8
152.07059	0.8
154.08641	4.7
154.47163	0.5
158.11769	1.3
164.07022	0.9
170.08156	0.7
178.08647	2.1
182.08134	50.6
182.15411	2.3
183.08324	0.7
185.16512	1.0
197.34416	0.7
206.08133	11.4
218.08133	1.6
236.09203	1.8
242.17558	2.2
244.16664	0.7
248.09230	7.1
266.10272	0.9
271.10303	0.6
284.11243	0.8
284.18646	1.3
284.22003	0.8
302.12769	3.1
302.19644	20.4
302.23260	8.5
303.14377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1961
Annotation	3-hydroxy-cis-5-octenoylcarnitine
Peak:m/z	Relative Intensity
56.05028	0.5
58.06595	1.6
65.60504	0.2
65.63961	0.2
68.05019	0.3
69.07054	1.0
70.06586	0.3
70.41948	0.4
79.64683	0.2
82.06564	0.8
84.08142	3.7
86.06055	1.4
95.04991	0.4
96.08126	1.3
97.21637	0.2
98.06047	0.2
98.09676	1.8
98.97571	0.4
100.07623	0.3
108.08111	9.2
108.33450	0.2
114.65631	0.2
116.98598	0.3
125.06017	0.2
126.09150	18.1
127.09492	0.4
127.69637	0.2
128.46614	0.2
138.98927	0.2
144.10190	100.0
145.10541	1.7
239.77946	0.3
266.36996	0.2
278.96747	0.5
302.19598	56.0
303.20004	2.3
305.23441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1964
Annotation	(-)-Floridinine
Peak:m/z	Relative Intensity
50.29423	0.3
50.97761	0.3
52.16000	0.3
55.05516	1.9
56.05038	1.1
57.03437	0.6
57.05846	0.4
58.06604	41.4
59.05017	0.5
59.06944	0.4
66.53635	0.3
67.05508	0.8
69.03434	0.8
69.07094	0.3
70.06590	2.4
70.19811	0.4
71.33456	0.3
72.08157	6.9
73.76481	0.3
79.05502	1.1
81.07076	0.9
83.04974	1.9
84.08142	1.6
86.06059	0.5
86.09713	5.9
87.04447	0.5
87.06836	0.5
88.07660	0.4
91.05505	1.1
93.07069	1.6
94.27566	0.3
95.04969	0.4
95.08624	0.6
96.08141	1.1
96.98469	0.3
98.09731	0.5
100.07668	0.5
101.06026	2.5
102.09219	0.4
105.07039	1.2
107.05014	0.4
107.08622	0.5
108.08086	0.5
109.06530	1.9
110.07206	0.8
110.09692	0.5
111.04446	2.9
114.09244	0.3
116.07106	1.4
118.08644	0.6
119.08607	1.3
121.10181	1.2
122.09663	1.5
123.08094	0.4
126.09167	0.9
128.10695	1.5
129.05507	0.8
131.08577	0.9
133.10194	0.4
144.10225	4.5
147.08061	0.5
149.09639	0.6
151.07556	0.7
155.04262	0.6
159.07953	0.4
159.11295	0.9
185.16493	3.0
206.04784	0.3
213.15979	1.4
224.05994	0.5
224.93021	0.3
235.07590	0.4
240.16034	0.6
266.17584	1.5
284.18597	2.7
302.19617	100.0
302.53296	0.3
303.20007	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	302.1964
Annotation	(-)-Floridinine
Peak:m/z	Relative Intensity
52.54514	0.3
55.05505	0.9
56.04999	0.4
58.06585	1.2
60.70563	0.3
64.88904	0.3
67.05486	0.5
69.07047	0.7
70.01123	1.1
70.06595	1.7
70.06889	0.3
72.08152	11.5
73.06539	0.9
74.24138	0.3
78.17054	0.3
79.05461	0.4
80.35990	0.3
82.06602	0.5
83.07352	3.6
84.04490	0.5
84.07740	0.4
84.08145	4.5
86.09704	9.0
88.07612	0.6
93.07075	0.4
96.08104	0.6
97.06519	0.4
97.08908	1.0
100.07620	0.5
110.07140	0.4
110.09682	2.7
111.23415	0.3
116.22050	0.3
120.18555	0.3
122.09693	2.4
124.11219	9.7
132.10165	0.6
134.63066	0.4
140.10686	5.3
141.11487	7.1
142.12161	0.3
143.11792	5.4
152.40450	0.3
157.13354	1.6
158.11758	89.3
159.12068	2.1
171.11270	2.6
185.12872	0.7
185.16537	0.7
189.12291	0.5
199.18044	0.8
231.17236	0.5
252.16006	0.6
258.17038	1.1
276.99536	0.4
284.18613	1.6
284.22122	1.0
302.19611	100.0
303.14127	1.3
303.19910	4.3
304.92169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
54.26471	1.5
55.05503	5.6
58.06599	6.0
67.05508	2.3
69.53888	6.5
70.06583	4.1
72.08154	87.5
74.06059	3.3
81.07055	4.3
83.07339	1.9
84.08137	5.3
85.02879	1.9
86.09699	31.3
93.07041	2.9
95.08612	3.7
97.14873	1.8
98.09669	1.9
98.97593	7.4
102.29176	1.7
102.96886	2.6
105.07023	1.9
114.09173	4.5
116.98617	6.4
120.97970	2.1
132.10213	7.4
143.11804	57.2
144.10214	2.2
157.13356	11.5
158.11758	16.6
171.11282	31.7
185.12798	8.4
203.13994	2.1
222.22141	4.8
224.20102	10.8
232.26926	2.0
240.23338	4.8
242.21156	5.5
278.96799	12.3
279.00342	2.5
284.19208	3.0
284.22144	12.9
296.97827	4.9
302.19601	31.2
302.23242	100.0
303.23676	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05507	1.5
56.05027	0.6
56.48743	0.4
57.03439	7.2
58.06596	0.8
67.05504	3.4
69.07069	9.0
69.30733	2.0
70.06586	1.5
71.05002	0.7
72.04514	0.4
72.08154	4.0
73.78635	0.4
75.05603	15.6
79.05486	3.5
79.44564	0.4
81.07058	11.3
83.04980	0.7
83.08673	0.4
84.08134	0.9
85.06532	0.7
86.09707	100.0
87.10036	1.5
91.05479	1.4
93.07045	2.7
95.08605	3.3
96.08128	1.7
97.06548	2.6
98.09695	9.3
99.08086	2.4
102.09221	0.9
105.07033	1.3
107.08566	2.4
109.06490	1.1
109.10142	0.7
111.08073	0.7
113.09654	1.8
114.09167	1.2
119.08573	1.0
121.10165	1.2
121.58788	0.4
123.08096	1.7
124.11280	0.5
125.05988	0.5
127.07562	2.1
129.06953	0.5
131.08591	0.7
132.10201	11.7
133.10101	0.6
135.11743	0.5
137.06387	0.5
142.12263	4.2
143.11795	80.0
144.12132	1.2
145.10141	0.7
147.11711	1.0
149.09616	1.3
163.11208	0.6
165.12773	0.8
171.11292	24.0
185.13353	0.6
189.12361	1.7
205.86342	0.5
256.06079	0.6
266.21289	2.9
284.19138	0.5
284.22195	9.1
285.64508	0.5
302.23260	88.4
303.23584	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
56.05041	0.8
57.03439	5.7
61.60313	0.4
67.05505	3.3
69.07067	8.5
70.06596	1.5
70.44805	1.1
72.08156	3.6
75.05605	13.6
78.33328	0.4
79.05497	3.0
80.10349	0.4
81.07057	10.6
83.77258	0.5
84.08159	0.4
85.06573	0.5
86.09707	100.0
87.10050	1.3
91.05460	1.0
93.07034	2.5
95.04969	0.6
95.08601	3.8
96.08138	1.4
97.06526	2.2
98.09695	9.1
99.08101	2.5
102.09194	0.6
105.07019	1.6
107.08572	1.3
109.06490	0.7
109.10142	0.7
110.09698	0.4
113.09669	1.3
114.09193	1.3
117.07030	0.5
119.08598	1.2
121.10149	1.0
123.08070	0.9
127.07555	1.6
130.49431	0.4
131.08542	0.9
132.10202	12.6
133.29552	0.4
135.11681	0.7
137.09578	0.6
142.12265	4.1
143.11798	81.1
143.52937	0.5
144.12141	1.8
145.08652	0.6
145.10127	0.6
149.09665	1.0
161.13290	0.8
163.11087	0.4
171.11288	25.3
185.13300	1.0
189.12311	2.4
203.14403	0.8
245.18648	0.7
266.21161	2.1
284.22229	8.3
302.23254	84.0
303.23563	4.3
315.60098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
57.03436	3.2
63.05356	0.9
67.05500	2.2
69.07056	2.4
70.06590	1.6
71.45222	1.6
72.08176	2.0
73.02907	1.2
74.78011	0.9
77.65224	0.9
79.05470	1.3
81.07063	4.7
86.09706	100.0
87.10036	1.6
91.07071	1.1
93.07037	1.5
95.08601	2.3
95.45048	1.0
96.08121	1.2
97.25481	1.0
98.09714	2.3
98.97592	3.8
102.96878	2.0
107.08588	1.2
114.09137	1.0
116.98651	2.8
119.08593	1.3
120.97914	2.1
132.10204	10.3
134.99693	1.4
141.61850	1.0
142.12263	2.2
143.11795	70.0
171.11285	22.1
236.95755	1.2
266.21231	1.6
278.96857	6.5
278.99673	1.1
284.22238	3.1
284.25824	2.0
296.97891	2.7
302.14584	2.8
302.23340	39.3
302.26978	5.8
303.23578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05034	1.5
57.03448	1.2
57.05813	0.2
58.06601	18.7
59.06919	0.3
60.82959	0.2
67.05504	1.5
69.03425	0.2
69.07056	0.8
69.79196	0.5
69.79561	0.4
70.06589	0.9
71.04972	0.4
72.08165	2.8
75.00623	0.2
79.05486	0.7
81.07063	2.3
82.06583	0.3
83.08627	0.5
84.08135	0.4
85.02859	0.3
85.06515	0.3
86.06052	0.2
86.09698	0.9
88.07613	0.5
91.05476	0.4
93.07040	1.3
95.08599	1.2
96.08124	0.6
97.06538	0.3
98.09703	0.6
98.97636	0.4
99.08089	0.3
100.07612	0.7
101.20924	0.2
102.96868	0.3
105.07041	0.3
107.08561	0.7
109.06511	0.3
109.10144	0.4
110.09660	0.3
119.08565	0.5
120.97852	0.3
121.10172	0.4
122.09692	0.3
124.11221	0.3
128.10699	0.3
133.10141	0.3
135.11710	0.3
142.12323	0.4
142.29231	0.3
143.11806	0.7
143.77602	0.2
182.15424	0.9
200.16415	0.9
229.36494	0.2
240.19508	1.6
266.21146	5.0
278.96841	0.4
284.22202	5.2
302.23245	100.0
303.23608	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	302.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05517	1.0
56.05034	1.0
57.03440	9.0
57.46265	0.2
58.06611	0.4
60.62883	0.2
65.34841	0.2
67.05508	3.2
69.06718	0.2
69.07074	4.3
70.06580	0.5
70.51316	0.3
70.51629	0.3
71.04991	0.7
72.04531	0.5
72.08161	4.6
73.06564	0.5
75.05600	0.3
79.05498	3.4
81.07061	12.8
82.07404	0.3
83.04981	0.6
83.08616	0.6
84.08152	0.5
85.06535	0.8
85.08936	0.4
86.09713	6.1
91.05476	1.4
93.07050	2.5
95.04981	0.3
95.08607	3.9
96.08134	0.3
97.06535	3.3
98.09698	12.8
99.08093	2.6
99.10023	0.3
99.95035	0.2
102.09174	0.7
105.07047	1.8
107.08602	2.3
109.06529	1.4
109.10142	0.4
110.09680	0.4
111.08115	0.5
113.09648	2.1
115.07560	0.6
117.07018	0.5
119.08557	1.4
121.10142	1.8
123.08067	2.1
124.11250	0.6
125.09653	0.5
127.07536	1.7
129.06963	0.3
131.08556	0.9
132.10211	0.6
133.10126	0.5
135.08087	0.4
135.11732	0.4
137.09621	0.6
142.12280	4.7
143.08565	0.6
143.11801	0.9
145.08588	0.4
145.10149	0.6
147.11684	1.3
149.09653	1.6
153.09190	0.3
157.10165	0.3
158.15431	0.3
159.11627	0.2
161.09637	0.3
161.13266	0.9
163.11176	0.5
165.12820	0.4
169.69987	0.2
171.11275	0.7
173.81693	0.2
175.14856	0.6
185.13251	0.9
189.12341	0.6
193.15904	0.4
203.14406	0.7
221.15413	0.6
239.16473	0.9
266.21332	0.4
284.22195	7.5
285.22577	0.4
302.23264	100.0
303.14099	0.6
303.23630	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2326
Annotation	CHEBI:84843
Peak:m/z	Relative Intensity
51.21790	0.2
52.38411	0.2
55.01864	0.7
55.05510	1.3
56.05012	0.7
57.03438	7.5
58.06588	0.6
67.05505	2.9
69.07066	3.5
70.06580	0.8
71.04996	0.9
72.04520	0.5
72.08151	3.9
72.32934	0.3
72.59811	0.3
73.06499	0.3
75.24014	0.3
79.05489	3.8
81.07053	13.0
83.04951	0.5
83.08624	0.5
84.08144	0.6
85.06532	0.7
86.09687	1.4
91.05464	1.6
93.07042	2.6
95.04958	0.7
95.08604	3.8
97.06540	2.8
98.09689	12.3
99.08083	2.7
102.09151	0.4
105.06452	0.3
105.07013	1.8
107.04915	0.4
107.08590	2.4
109.06500	1.1
109.10126	0.6
111.08041	0.5
113.09675	2.2
115.07550	0.8
117.07011	0.6
118.00175	0.3
119.08617	1.4
121.10147	2.1
123.08062	1.2
124.11250	0.8
125.09574	0.5
127.07539	1.8
131.08580	1.1
133.10109	0.9
135.11720	0.7
137.09578	0.4
142.12254	4.8
143.08578	0.4
143.91447	0.3
145.08632	0.6
145.10100	0.6
147.11707	1.0
149.09634	1.2
161.13281	0.5
165.12720	0.8
171.11369	0.3
175.14893	0.3
185.13226	0.7
193.15819	0.3
203.14246	0.7
221.15401	0.5
222.22185	0.6
224.19987	0.7
239.16515	0.8
266.20996	0.7
284.22198	7.3
302.23242	100.0
303.23608	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	302.2327
Annotation	CHEBI:84843
Peak:m/z	Relative Intensity
55.05505	0.9
56.05024	1.8
57.03430	0.9
58.06599	19.5
67.05496	1.7
69.03425	0.5
69.07064	1.3
70.06576	1.4
71.04982	0.6
72.08154	2.9
79.05470	0.8
81.07050	1.9
82.06618	0.5
85.02898	0.7
88.07625	1.0
91.05488	0.7
93.07024	1.6
95.08591	0.6
96.08131	1.1
97.06533	0.7
98.22697	0.8
98.97585	1.6
102.96853	0.7
107.08590	0.8
109.10134	1.2
116.98592	1.1
120.97906	0.7
121.10210	0.5
123.62417	0.4
133.10075	0.5
168.13805	0.6
175.52263	0.5
189.38052	0.5
200.16498	1.1
234.18588	0.5
235.90843	0.4
240.19583	1.5
265.87195	0.4
266.21152	4.8
278.96930	2.6
278.99686	0.5
284.22232	4.6
296.97867	1.3
302.23251	100.0
303.05188	0.9
303.23596	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	302.2478
Annotation	Trihexyphenidyl
Peak:m/z	Relative Intensity
55.05507	1.7
57.07060	2.4
57.59371	0.8
58.02962	11.9
59.65953	0.8
63.52161	0.8
67.05495	0.9
69.07052	1.7
69.32568	0.9
70.06575	2.4
70.58125	1.5
70.58442	0.9
72.04507	1.8
73.02915	1.3
83.08614	1.1
84.08183	0.8
88.07616	1.7
91.05476	31.0
92.05830	0.9
95.08605	1.1
98.06053	3.1
100.07571	1.2
103.83968	0.9
105.07018	6.1
114.09136	0.9
117.07027	1.6
119.08555	1.2
119.96707	0.9
131.08618	2.1
165.82942	0.8
255.76656	1.0
302.24753	100.0
302.30481	7.9
303.25146	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	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
53.03935	1.9
55.05259	2.1
55.05511	32.1
56.05023	4.0
57.03437	17.6
57.06828	1.2
57.07078	22.7
58.06607	7.0
62.73962	1.0
67.05166	2.6
67.05505	42.2
68.05847	1.3
69.07069	40.9
69.42612	6.0
69.50990	1.1
70.06592	33.7
71.04998	2.1
71.08630	12.1
74.06084	10.5
79.05501	7.2
80.94844	1.3
81.07056	78.1
83.08617	30.9
84.08122	3.5
85.06535	5.2
85.10186	5.8
86.09690	1.8
88.07625	1.9
91.05469	4.1
93.07038	4.5
95.08604	65.9
96.08927	1.2
97.09590	2.1
97.10170	27.3
98.09710	1.7
98.97567	2.5
99.08078	1.2
105.06978	1.7
106.08653	1.9
109.10155	52.3
111.11729	9.2
116.98598	2.4
120.97916	1.8
123.11713	17.4
125.13254	2.3
131.08560	1.8
132.42094	1.2
137.13257	5.3
149.09590	1.2
151.14737	2.6
165.16362	2.4
179.17859	1.9
184.20612	1.9
193.19485	2.2
197.19081	1.6
205.96007	1.2
249.25687	10.9
266.28418	70.7
267.26691	18.1
268.27322	1.6
278.96832	2.9
284.23346	3.7
284.29471	100.0
285.29773	4.6
302.30505	58.4
302.48535	1.4
303.30826	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03333	0.2
69.98598	0.6
75.38074	0.2
82.99872	0.4
85.07806	0.2
95.84403	0.2
97.36325	0.2
98.97588	2.0
101.00900	2.5
107.04932	0.4
116.98632	1.2
119.01907	5.2
120.02009	0.6
120.97968	0.2
121.49910	0.2
134.99750	0.3
137.02962	0.9
140.98840	0.3
158.99854	1.5
159.99994	0.3
164.98831	0.2
165.99637	0.2
177.00946	10.0
178.01062	2.6
179.00746	0.7
182.99886	0.5
183.99886	0.2
201.00925	2.5
202.01054	0.7
217.04070	2.3
218.04008	0.9
219.02005	19.9
219.99899	0.3
220.02110	5.3
221.01822	1.7
225.00833	2.3
226.01048	0.8
227.00870	0.2
243.01970	11.3
244.02127	3.1
245.01852	0.4
261.03040	100.0
262.03171	30.3
263.02872	6.2
264.03549	0.3
279.00629	1.5
280.00845	0.6
282.99863	0.5
284.04562	1.1
284.99829	2.3
285.04706	1.5
298.97867	0.2
301.00928	0.4
303.00766	3.3
303.05542	6.9
304.01004	0.4
304.05325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	32.8
58.06383	0.5
58.06603	5.1
63.05047	0.5
69.34038	1.0
69.34425	1.8
70.06577	1.7
72.08126	0.8
74.97626	0.7
81.07026	0.6
83.97636	0.6
84.08143	1.7
86.06065	0.7
90.54153	0.5
96.08138	0.9
97.99184	1.0
98.09644	0.9
98.77962	0.5
98.97581	13.0
107.04955	1.3
108.08128	3.7
116.98618	7.2
124.27228	0.5
126.09152	7.2
127.09486	1.4
132.08083	4.7
134.99637	2.3
144.10194	34.3
144.96791	0.8
145.10550	7.3
174.02271	30.4
175.02628	0.7
178.07098	0.5
188.03807	6.9
192.03317	38.0
194.91434	0.6
197.03812	0.8
199.05550	0.6
202.01817	1.4
204.03336	2.4
206.04890	12.1
207.02049	1.1
208.02831	0.7
210.04387	5.8
210.06212	1.0
215.04921	22.3
216.03310	1.2
217.06487	17.9
220.02779	2.6
222.04367	3.8
224.05948	1.7
226.03760	0.9
229.02850	1.4
231.04311	2.9
233.05980	11.1
234.04312	1.2
235.07536	15.2
236.02374	1.1
238.03702	0.9
240.05371	0.6
243.04343	8.3
247.03918	2.2
249.05408	0.7
258.04324	2.9
261.05466	100.0
262.05878	2.7
274.49622	0.6
276.05362	1.3
279.06519	62.1
280.06894	1.6
284.07056	2.2
285.18774	0.9
286.03778	1.7
286.20050	0.8
302.19592	18.2
303.06509	6.4
303.14648	0.6
303.19922	10.5
304.05054	0.7
304.21115	6.6
306.04971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36975	3.8
58.06602	36.2
70.06593	21.3
70.09555	10.5
72.08160	36.0
78.20338	3.9
81.04464	4.2
84.08141	35.5
85.02936	5.0
129.10246	25.7
141.06599	21.5
144.10196	10.0
196.87778	5.0
204.30870	4.8
284.38531	4.5
302.19559	8.0
303.05191	8.7
303.08289	71.4
303.10962	5.7
303.20242	59.0
304.08347	10.1
304.17633	7.6
304.21164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68893	3.5
51.42222	3.5
58.06601	34.1
59.11111	3.5
60.05663	4.3
69.07077	6.1
70.06590	29.4
70.21136	7.8
70.21473	4.0
72.08150	17.1
76.55744	3.9
78.08003	4.2
83.06113	6.6
84.04519	7.5
84.08147	56.1
86.09702	64.1
87.05595	5.5
93.04534	6.5
96.08152	4.1
98.02453	4.8
110.07173	68.4
116.07132	7.4
120.08132	4.2
127.05046	6.3
129.10246	19.4
129.11089	4.1
138.09160	4.7
140.08229	3.6
141.05478	4.6
141.10249	8.5
143.11823	10.0
144.10245	26.5
145.10571	11.1
155.11855	10.2
157.13383	6.4
171.11337	5.7
172.07169	5.6
175.11926	10.5
183.11284	8.3
200.13914	28.5
228.13432	8.2
240.13492	7.1
286.20105	7.2
302.19586	4.5
303.08408	100.0
303.14438	8.3
303.20148	63.3
304.21149	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16291	2.6
58.06590	3.9
66.22272	2.6
70.06598	11.9
70.89016	5.0
72.08161	7.6
77.14788	2.5
83.06104	12.0
84.08145	36.1
86.09702	8.7
91.03651	2.9
93.04522	6.1
98.97571	8.5
104.07056	2.7
109.00452	3.0
110.07169	100.0
129.10266	18.8
133.06137	3.1
138.06622	6.9
143.11798	4.8
144.10204	6.8
154.30844	2.6
156.07741	5.8
158.99741	4.8
172.94263	3.4
175.11932	3.6
190.95320	3.3
194.62282	2.8
256.97455	3.4
261.03140	16.5
278.97040	4.7
285.04443	3.2
285.13550	8.8
303.08386	35.9
303.14804	17.6
303.17511	6.6
303.20444	15.3
304.21143	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	303.1803
Annotation	oscr#3
Peak:m/z	Relative Intensity
53.03941	2.8
53.98177	1.8
55.01880	2.7
55.05514	15.0
57.03445	10.6
57.07085	2.1
67.05505	30.9
69.03444	2.2
69.07074	21.4
70.06597	1.8
71.05006	4.7
71.46255	1.5
79.05502	17.9
81.07058	100.0
82.07431	2.9
83.04997	8.3
83.08634	7.7
85.06551	7.2
91.05486	34.5
93.07047	15.6
95.04987	4.0
95.08609	23.0
97.06526	9.9
99.08093	4.5
101.06052	1.8
104.99283	2.6
105.07028	43.3
107.08591	18.8
109.06516	7.0
109.10179	5.1
109.72143	1.6
110.07178	3.9
111.08063	1.6
113.06023	3.6
119.08578	34.1
121.10143	31.6
123.08096	5.1
123.11710	37.5
127.07553	4.5
131.08534	2.1
133.10156	7.2
135.11707	2.4
137.13255	1.8
138.09180	3.6
141.09087	2.3
145.10109	3.7
147.11684	94.3
148.12039	2.4
149.09621	2.0
157.10176	6.3
164.07069	3.1
165.12761	48.9
175.11232	4.9
183.13861	6.2
193.12241	4.6
229.14349	13.5
267.15924	80.6
268.16168	3.0
285.16949	81.3
286.17526	2.4
303.12033	2.9
303.16821	5.0
303.23248	11.7
303.26382	2.6
315.96573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01869	1.4
55.05507	1.1
56.05043	0.7
57.03453	3.3
58.02958	0.9
58.06593	3.9
60.04528	7.2
61.02921	2.6
63.99574	0.7
67.05503	1.1
69.03069	0.7
69.03434	11.7
69.07069	32.3
69.44520	1.4
69.44932	2.3
70.06574	2.9
71.05001	1.3
71.08635	17.6
72.08166	1.8
73.02916	1.7
75.31904	0.7
77.62682	0.7
79.05489	0.9
80.47556	0.6
81.03417	6.5
81.07069	1.2
83.08624	0.7
84.04491	2.7
84.08133	1.6
85.02907	55.0
86.02423	4.8
86.03228	1.3
86.06081	0.7
86.09703	7.3
87.10057	0.8
88.07664	1.0
89.09095	0.6
91.03954	1.1
91.05457	0.8
95.08603	1.4
96.08144	3.9
97.02896	31.7
97.06535	5.1
98.23376	1.5
99.04446	2.7
100.07688	0.7
100.74284	0.6
103.03944	4.3
107.04971	2.7
109.02886	8.3
110.02408	0.9
110.07166	1.3
110.09698	1.6
114.09168	17.1
116.07112	1.0
124.07587	1.7
125.05888	0.9
127.03917	11.5
127.04848	0.8
132.14297	0.6
134.08151	1.8
138.08199	0.7
138.09093	3.2
142.08640	100.0
143.08955	2.9
143.11835	1.8
144.10329	0.6
145.04961	6.7
156.10211	3.1
166.08690	0.8
173.12799	3.2
180.10181	1.3
183.08058	2.5
184.09694	63.7
185.09956	1.5
194.07268	1.6
201.12386	1.4
202.76788	0.7
208.09694	14.5
211.07599	2.0
220.09760	1.8
222.09264	1.0
223.07533	11.7
226.18114	0.7
227.09155	0.7
238.10783	1.8
240.10159	0.9
241.08615	1.6
242.21365	0.6
250.08502	1.2
250.10760	7.9
254.16951	0.8
258.11346	1.2
258.43857	0.6
268.09595	5.1
268.12070	0.6
268.19061	2.8
286.13058	1.2
286.20184	6.2
304.11346	1.0
304.14194	3.0
304.21191	21.2
304.24344	1.1
305.15771	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	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01878	1.6
55.05507	3.6
55.37219	0.6
56.05022	1.2
57.03437	5.0
58.02955	1.5
58.06610	7.2
59.05016	1.0
60.04288	0.6
60.04527	6.7
61.02926	4.3
67.05492	2.7
69.03431	16.2
69.07072	37.6
70.06596	6.3
71.01353	0.9
71.04993	2.3
71.06934	0.7
71.08635	21.5
72.08160	5.6
72.08556	0.9
72.44128	0.6
73.02903	2.2
74.06081	1.3
79.05489	2.4
80.05004	1.9
81.03417	7.4
81.07045	2.6
83.04996	1.3
83.08611	1.6
84.04496	4.2
84.08147	5.2
85.02910	59.5
85.06560	1.3
85.08507	0.7
86.02441	5.4
86.06071	0.6
86.09704	6.3
87.04399	0.8
88.07638	1.3
91.03930	0.7
91.05471	1.3
93.07018	1.6
94.06559	1.1
95.04973	1.3
95.08605	1.3
96.04523	1.3
96.08141	6.8
97.02899	37.9
97.06540	6.2
97.10130	1.2
98.03291	0.8
98.09684	1.0
98.97520	0.6
99.04447	2.9
103.03933	5.0
104.07115	0.9
105.07014	0.7
107.04961	5.5
107.08589	1.5
108.08102	1.3
109.02879	9.4
109.06513	1.3
110.02412	1.2
110.07153	2.6
110.09704	0.7
111.11705	1.4
112.07603	1.0
112.11279	0.6
113.05954	0.7
114.05537	0.6
114.09172	18.8
115.03928	0.7
116.14497	0.9
119.08602	0.7
120.08103	2.5
122.09666	0.9
123.04393	1.0
124.07608	2.1
125.09638	1.6
126.09189	1.0
127.03922	13.2
129.10269	0.7
130.06624	0.7
130.08624	2.5
131.04507	0.6
132.10213	0.7
137.02339	1.1
138.09135	3.9
139.07582	0.8
142.08640	100.0
143.08955	2.5
144.10196	1.8
145.04958	7.6
149.05962	0.9
152.10765	0.8
156.10175	2.0
166.08736	0.8
168.06595	3.1
172.09744	0.8
173.12883	1.2
178.05707	1.0
180.10196	1.0
182.15485	1.1
183.07973	1.1
184.09698	69.4
185.09331	2.7
191.10342	0.8
208.09703	14.4
211.07536	0.9
220.09680	2.7
222.11288	1.0
223.07558	3.6
226.17996	2.3
238.10789	1.6
240.19655	0.9
243.13373	0.8
250.10742	8.7
250.17918	3.9
259.06076	0.9
268.09488	1.6
268.12003	1.4
268.19064	6.1
286.13443	3.2
286.20129	10.8
286.23267	0.7
304.14072	3.1
304.21191	59.9
304.24335	4.3
305.15704	19.5
305.21536	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05036	10.7
58.06602	13.2
59.67450	0.5
60.05623	1.6
67.05508	0.6
68.05039	2.9
69.07049	1.6
70.06594	18.8
70.30117	1.3
71.67667	0.5
72.08160	3.4
74.02401	0.8
74.06097	1.3
79.05498	0.8
81.07044	0.9
82.06577	1.4
84.03472	0.6
84.04512	4.2
84.08142	4.2
85.02880	0.6
85.07679	5.1
86.06069	14.4
86.09719	1.0
88.03976	1.0
91.05489	0.6
93.07023	0.9
96.08137	0.7
97.07667	0.7
97.70466	0.5
98.06057	0.7
98.09673	2.2
98.22771	0.6
99.90528	0.6
100.03978	4.1
100.07622	1.3
102.05543	8.0
107.04940	4.9
107.08565	0.6
107.13607	0.6
108.08101	1.5
111.09202	1.0
111.11679	1.5
112.08737	0.8
113.05973	0.7
113.07095	0.6
114.05528	53.7
114.09183	0.8
116.07076	2.7
124.07603	6.2
126.09109	1.1
128.07076	2.9
129.05600	1.2
129.06580	4.6
129.10245	1.0
130.05008	1.6
139.08649	1.5
140.06963	0.6
141.06612	0.9
141.10240	11.5
142.08659	6.4
142.12134	0.6
144.10155	3.5
145.09709	2.3
151.08633	1.2
153.09097	0.9
157.06064	0.7
157.09749	5.0
158.09297	0.8
159.11325	1.1
168.06532	1.2
168.11334	2.9
169.09694	1.0
175.11932	3.0
185.09212	100.0
186.07607	4.8
186.09506	2.4
196.10771	4.1
203.10249	3.2
214.11888	1.9
215.10297	1.5
240.13429	4.6
258.14505	1.9
268.12912	2.3
268.19128	1.1
286.13968	60.9
286.20187	4.3
287.14209	3.3
293.77011	0.5
304.15549	14.2
304.21185	44.4
305.21664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05036	10.7
58.06602	13.2
59.67450	0.5
60.05623	1.6
67.05508	0.6
68.05039	2.9
69.07049	1.6
70.06594	18.8
70.30117	1.3
71.67667	0.5
72.08160	3.4
74.02401	0.8
74.06097	1.3
79.05498	0.8
81.07044	0.9
82.06577	1.4
84.03472	0.6
84.04512	4.2
84.08142	4.2
85.02880	0.6
85.07679	5.1
86.06069	14.4
86.09719	1.0
88.03976	1.0
91.05489	0.6
93.07023	0.9
96.08137	0.7
97.07667	0.7
97.70466	0.5
98.06057	0.7
98.09673	2.2
98.22771	0.6
99.90528	0.6
100.03978	4.1
100.07622	1.3
102.05543	8.0
107.04940	4.9
107.08565	0.6
107.13607	0.6
108.08101	1.5
111.09202	1.0
111.11679	1.5
112.08737	0.8
113.05973	0.7
113.07095	0.6
114.05528	53.7
114.09183	0.8
116.07076	2.7
124.07603	6.2
126.09109	1.1
128.07076	2.9
129.05600	1.2
129.06580	4.6
129.10245	1.0
130.05008	1.6
139.08649	1.5
140.06963	0.6
141.06612	0.9
141.10240	11.5
142.08659	6.4
142.12134	0.6
144.10155	3.5
145.09709	2.3
151.08633	1.2
153.09097	0.9
157.06064	0.7
157.09749	5.0
158.09297	0.8
159.11325	1.1
168.06532	1.2
168.11334	2.9
169.09694	1.0
175.11932	3.0
185.09212	100.0
186.07607	4.8
186.09506	2.4
196.10771	4.1
203.10249	3.2
214.11888	1.9
215.10297	1.5
240.13429	4.6
258.14505	1.9
268.12912	2.3
268.19128	1.1
286.13968	60.9
286.20187	4.3
287.14209	3.3
293.77011	0.5
304.15549	14.2
304.21185	44.4
305.21664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1656
Annotation	Val Trp
Peak:m/z	Relative Intensity
55.05510	14.3
58.06598	1.6
69.07057	2.4
69.18647	4.0
69.19061	2.8
72.08152	100.0
90.59203	1.1
101.30618	1.2
107.04946	12.6
111.11725	2.8
113.06020	2.2
118.06555	5.1
126.52094	1.1
127.08669	3.7
130.06535	4.7
132.08095	7.4
135.93639	1.4
137.02386	2.0
142.06517	2.2
144.08069	8.7
146.05994	27.0
158.02248	1.3
159.09140	13.7
164.19490	1.4
167.64058	1.3
170.06006	4.9
188.07065	60.5
191.17978	1.1
205.09717	52.1
206.10031	2.5
268.19232	1.7
287.13940	5.3
304.16599	13.0
304.21039	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	304.212
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
55.05508	0.4
56.05040	2.0
56.96560	1.5
57.03430	1.3
58.06600	18.6
59.06934	0.7
60.05605	0.3
61.02924	1.5
66.09980	0.4
67.05490	1.0
68.04988	0.4
69.03418	1.2
69.07062	1.1
70.06584	3.4
70.44670	0.7
71.04964	0.8
72.07780	0.7
72.08150	6.7
74.06077	0.9
79.05481	1.1
81.07062	1.8
82.06578	0.5
83.04969	0.8
84.04510	0.8
84.08150	3.0
85.02892	1.1
85.08471	0.6
86.06044	0.6
86.09702	5.4
88.07597	0.5
91.05476	1.2
93.07050	1.3
94.93024	2.7
95.04951	0.6
95.08610	1.0
96.08125	0.7
97.02864	0.5
97.06528	0.8
98.09651	2.0
98.97592	1.8
99.04457	0.6
99.08093	0.5
100.07569	0.4
101.00873	0.5
102.05561	0.4
102.09184	0.5
103.00674	0.3
105.07011	1.0
107.04944	1.5
107.08614	1.0
108.08098	1.4
109.06512	0.9
110.09705	0.5
110.97556	0.5
111.04430	1.4
111.08080	0.3
114.05511	1.4
116.07069	1.0
116.98583	0.6
119.01917	0.9
119.08562	1.1
123.08009	0.6
126.09161	2.0
127.07533	0.4
128.10722	0.8
129.05476	1.3
129.10216	0.7
133.10107	0.9
135.08037	0.7
135.11658	0.3
136.73477	0.4
139.08658	0.4
141.06532	0.5
141.10222	0.4
142.08598	0.4
142.12270	1.3
143.01900	0.8
143.08205	0.6
143.11801	1.2
144.10207	8.7
145.03447	0.4
153.09122	0.8
157.13319	1.9
161.02966	1.5
163.11185	0.5
173.02907	0.9
175.03465	0.5
184.13359	0.4
185.02943	0.6
185.09216	2.9
185.12814	0.6
187.10847	0.5
187.14423	1.6
189.00629	0.4
192.55807	0.4
202.98756	0.4
203.03952	0.4
205.04492	1.0
214.05150	0.5
215.13840	0.5
216.23790	0.4
226.17992	0.7
230.98058	0.5
250.17995	1.4
262.92020	0.4
263.00681	0.4
263.06192	0.3
268.19058	3.9
286.14063	1.6
286.16772	0.3
286.17804	0.4
286.20132	10.0
304.08191	1.7
304.21170	100.0
304.92972	0.4
305.06534	0.5
305.09692	0.4
305.21515	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	304.2119
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
55.05512	1.4
56.05051	1.2
57.03435	0.5
57.07072	0.3
58.06601	9.0
67.05511	1.7
69.03423	0.8
69.07065	1.9
69.94675	0.2
70.00832	0.2
70.06594	3.3
71.04974	0.2
71.07361	0.3
72.08151	2.7
73.02938	0.3
74.06063	0.4
79.05500	1.0
81.03429	0.4
81.07066	1.9
82.06584	0.5
83.04991	0.4
83.08632	0.3
84.08138	1.5
85.06530	0.4
88.07626	5.2
89.16792	0.3
91.05469	0.7
93.07034	1.1
93.17798	0.3
94.06560	0.3
95.04951	0.7
95.08601	1.1
96.08115	1.5
97.02892	0.3
97.06522	0.4
97.10191	0.5
98.06065	0.5
100.07625	1.2
102.09110	0.3
104.99225	0.4
105.07009	0.7
107.04957	1.3
107.08573	0.7
108.08112	1.0
108.08789	0.3
109.10175	0.7
110.06065	0.6
110.09673	1.1
111.04453	0.4
111.11710	0.4
112.07636	0.3
113.06007	0.6
119.08574	0.4
120.08035	0.3
121.06561	0.3
121.10148	0.6
122.09654	0.7
124.07580	0.8
125.05972	0.3
130.08661	1.7
131.08568	0.4
133.10159	0.6
135.08038	0.4
137.06001	0.3
138.09091	0.3
139.11249	0.2
143.07031	0.3
144.10249	0.3
158.11728	0.6
159.12025	0.4
160.12285	0.4
168.13954	0.4
182.15411	0.8
184.13402	0.5
186.14867	0.5
191.14204	0.2
198.14923	0.6
199.43779	0.3
200.16440	0.3
210.14952	0.4
216.15851	0.4
220.16977	0.5
222.18504	0.8
226.17917	1.7
238.17981	0.6
240.19656	0.7
242.17421	0.3
250.18016	4.8
262.77481	0.3
268.19064	9.0
269.19370	0.4
286.20114	17.9
287.20410	0.9
288.86588	0.3
304.21173	100.0
305.15683	0.6
305.21503	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	304.2121
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
51.50896	0.2
55.01864	0.3
55.05518	0.4
56.05035	0.7
58.06604	12.4
67.05495	0.6
68.35631	0.2
69.03436	0.4
69.07076	0.4
69.61446	0.9
70.06590	1.2
72.08157	2.2
72.57931	0.3
79.05485	0.4
81.07058	2.0
82.06582	0.4
84.08155	2.2
86.09702	0.4
88.07618	0.3
91.05492	0.4
93.06991	0.3
95.04984	0.3
95.08596	0.4
96.08131	1.1
98.06072	0.4
98.09714	0.7
100.07575	0.4
104.98158	0.3
107.04936	0.4
107.08601	0.5
108.08114	4.1
110.09664	1.3
118.08665	0.3
119.08611	0.3
120.08090	0.3
122.09645	0.4
124.11174	0.3
126.09158	6.1
127.09535	0.2
128.10698	0.8
130.18027	0.2
133.10130	0.4
135.67810	0.2
144.10202	24.5
145.10628	1.2
146.10646	0.4
157.13361	0.3
159.11218	0.2
175.33197	0.3
175.39302	0.2
175.82167	0.3
177.49344	0.3
182.15408	0.4
182.42404	0.2
184.13319	0.3
187.10762	0.3
190.58192	0.3
226.18095	0.2
240.19629	0.3
250.18051	1.6
259.04691	0.3
268.19040	3.8
286.20151	9.0
287.20456	0.5
304.21188	100.0
305.21524	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	304.212
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
50.97235	0.2
55.05506	0.3
56.05042	1.4
56.33175	0.2
57.03422	0.4
58.06601	22.1
63.96810	0.3
67.05499	1.0
69.03416	0.4
69.07077	0.4
69.96667	0.7
70.06591	2.0
71.05007	0.6
72.08159	3.1
74.06076	1.2
79.05502	1.5
81.07055	1.1
82.06586	0.6
83.04985	0.4
84.04508	0.3
84.08144	1.6
84.48523	0.2
85.07527	0.2
86.06048	0.3
86.09711	7.5
88.07618	0.6
91.05475	1.5
93.07036	1.4
93.07534	0.3
95.04958	0.4
95.08585	0.6
96.08106	0.3
98.09618	0.6
100.07637	0.6
101.07158	0.3
105.07028	1.1
107.04935	0.7
107.08617	1.4
107.09288	0.2
108.08122	0.7
109.06518	0.8
110.09663	0.7
111.04443	0.4
111.08102	0.4
113.05978	0.4
117.07034	0.4
119.08569	0.9
120.06611	0.5
122.09676	0.3
123.08121	0.3
125.06046	0.3
125.09616	0.5
126.09143	1.1
126.83318	0.2
127.08643	0.4
129.10201	0.3
131.08578	0.4
133.10107	0.9
135.08060	1.2
142.12170	0.3
144.10190	3.2
148.44757	0.2
153.09113	0.7
157.13362	2.6
161.09604	0.5
179.10564	0.3
184.13336	0.5
185.12859	1.0
187.14407	2.3
201.12511	0.3
215.13928	0.9
224.16409	0.4
226.17992	0.5
250.18027	1.5
268.19055	3.5
286.17719	0.4
286.20135	10.6
287.20770	0.3
304.21173	100.0
305.21512	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	304.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25099	0.2
55.05515	1.0
56.02436	0.2
56.05044	1.1
57.03438	0.4
58.02973	0.3
58.06603	6.9
67.05502	0.9
68.16711	0.2
69.03432	0.6
69.07069	1.1
70.06598	0.8
70.35547	0.2
70.35886	0.3
71.07377	0.3
72.08157	2.1
74.58852	0.2
78.24397	0.2
79.05486	0.4
80.05025	0.3
81.03410	0.3
81.07058	1.1
82.06564	0.7
83.08612	0.9
84.04501	0.2
84.08133	1.2
85.02892	0.3
91.05466	0.7
93.07047	0.6
94.06561	0.6
95.04953	0.3
95.08602	0.7
96.08131	2.5
97.06523	0.2
97.10175	0.4
98.09685	0.4
98.22777	0.3
100.07612	0.4
105.07033	0.4
107.04948	0.6
107.08595	0.5
108.08118	2.8
109.06504	0.4
109.10149	0.4
110.09692	0.8
111.46357	0.2
113.20911	0.2
121.08879	0.8
122.09705	1.0
124.07536	0.3
124.11257	0.4
126.09152	1.9
133.10194	0.6
134.09773	0.2
135.08069	0.3
136.11320	0.2
138.09091	0.3
140.10701	0.3
144.10204	7.9
145.10455	0.3
152.10767	0.4
182.15387	1.6
184.13313	1.0
200.16519	0.4
210.14902	1.0
212.16403	0.3
215.47960	0.2
220.16953	0.7
222.18532	0.5
224.16452	0.4
226.18048	1.2
228.15956	0.3
237.14880	0.3
238.18082	1.2
240.15891	0.3
240.19704	1.1
242.17523	0.3
250.18025	7.3
256.99564	0.2
268.19080	17.6
269.19296	0.8
286.20123	27.4
287.20486	1.4
304.21176	100.0
305.21539	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	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66437	0.6
55.05502	1.7
56.05029	2.7
58.06601	7.6
67.05515	3.2
69.07064	1.9
69.17712	2.8
69.18111	0.9
70.06595	3.9
71.04984	1.1
71.07359	0.7
72.04501	0.6
72.08154	3.0
74.06075	16.4
78.34975	0.5
79.05489	1.4
81.07059	4.4
83.08601	0.6
84.08144	5.1
86.06074	1.0
88.07610	1.3
91.05467	1.8
93.07056	3.5
95.08611	2.9
96.08130	0.6
97.06516	0.6
97.10103	0.6
100.07669	0.8
105.06963	0.5
107.04947	3.6
107.08606	1.9
108.08108	0.8
109.10172	1.1
111.11698	1.6
113.05993	1.4
121.10051	0.8
132.08034	0.7
133.10114	1.1
135.08029	0.7
135.11685	1.7
146.06073	0.9
149.13220	1.3
156.80098	0.5
159.11687	0.8
168.13805	1.4
177.12695	1.1
186.14886	4.6
188.07045	1.6
195.13760	1.1
198.14865	0.6
200.16444	2.2
205.09779	1.6
208.16924	0.8
224.16519	0.7
226.17987	8.0
242.17468	4.5
244.19089	14.0
250.17952	1.3
268.19092	4.7
286.20132	8.3
286.23044	1.1
288.62994	0.6
304.21167	100.0
305.15558	0.9
305.21503	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
54.93139	1.3
55.05513	13.1
56.05024	5.5
57.07070	3.5
58.06601	6.5
65.03947	2.0
67.05510	18.9
69.07073	7.8
69.19465	8.4
70.06593	15.1
71.08635	2.9
74.06069	3.7
77.03907	1.6
79.05494	39.7
80.05011	1.7
81.07053	20.4
83.08630	1.6
84.08138	1.9
88.07630	10.2
91.05473	33.5
93.07051	15.9
94.06568	4.1
95.04971	12.2
95.08607	9.7
96.08128	1.6
103.05441	10.3
104.99265	8.7
105.04509	5.9
105.06353	2.9
105.07030	39.7
106.06599	3.3
107.08585	7.2
108.08124	3.5
109.10130	3.1
113.06003	5.2
115.05463	2.0
116.06241	1.5
117.07033	8.0
119.08607	12.3
120.08099	6.0
121.10164	3.2
122.08141	4.5
122.09655	1.5
125.09610	1.4
128.06235	2.3
129.07028	6.5
130.07756	1.6
131.08557	8.2
132.08089	3.7
133.09021	1.4
133.10150	5.6
134.09622	4.6
137.05962	1.5
142.07773	1.5
143.08554	4.3
144.08118	1.8
145.10126	8.5
146.09676	3.9
147.11659	1.9
148.11110	1.9
152.07069	7.0
157.10112	2.0
158.09608	1.6
159.11697	3.3
160.11267	3.3
172.11252	2.1
173.13231	1.8
173.81563	1.2
174.12822	1.6
185.13249	1.5
230.19116	1.5
244.20605	1.7
256.26352	10.3
262.98157	1.6
286.25269	100.0
287.25650	5.0
304.25861	55.6
304.29044	11.5
305.21255	2.4
305.26443	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	304.2636
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.17417	0.6
55.05512	1.5
56.04773	0.7
56.05037	2.1
57.03432	2.6
57.07084	3.1
58.06601	5.2
60.79323	0.5
64.38860	0.6
67.05502	1.7
68.33265	0.6
69.07081	1.0
69.10368	4.9
70.06590	9.0
71.08638	1.0
72.08151	1.6
80.94884	0.7
81.07047	2.5
83.08595	0.8
84.08142	9.9
87.04464	5.2
88.07635	9.3
91.05478	20.1
95.08614	2.6
97.10153	1.1
98.09718	0.7
98.22658	1.0
102.09189	4.6
102.84718	0.7
104.99281	4.5
105.07037	1.9
107.04931	1.6
109.10122	1.0
112.11279	1.3
113.06019	1.4
117.06998	1.7
126.41599	0.7
131.08569	1.6
145.10025	0.7
200.32159	0.6
207.97809	0.6
242.24780	16.5
267.24814	0.7
286.25259	25.9
287.25726	1.5
292.36893	0.7
304.25946	100.0
304.28922	13.4
305.26477	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	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
56.05037	26.1
57.06815	1.7
57.07077	22.5
58.06601	15.9
60.04517	2.8
62.84018	1.0
67.05503	3.3
68.05030	1.8
69.07101	1.3
70.06599	6.9
70.06930	1.2
71.08633	18.2
74.06079	24.2
74.77300	1.1
77.37962	0.9
77.58140	1.0
79.05504	2.1
81.07056	2.8
85.10193	7.5
86.06077	3.4
88.07628	2.9
91.05482	6.2
93.07047	1.5
95.04992	1.3
95.08611	1.2
104.99297	4.1
105.07049	4.2
107.08597	1.2
109.10173	1.0
113.06013	3.3
118.08657	7.9
119.08604	2.2
122.08141	38.8
131.08603	1.3
137.05980	2.6
145.10164	1.4
200.80907	1.1
256.26456	3.3
262.98239	1.5
284.23093	1.1
284.74518	1.1
286.25262	10.5
304.28552	100.0
305.21051	1.5
305.28824	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	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	12.3
57.07077	8.3
58.06338	0.5
58.06603	7.2
60.04527	3.3
68.05026	0.6
69.07059	0.6
69.79597	0.8
71.08631	4.6
74.06081	10.4
80.94874	0.5
83.08576	0.4
83.10152	0.4
85.10187	1.7
86.06062	1.7
88.07629	40.7
104.07093	0.8
104.99251	2.8
113.06017	1.0
118.08652	6.2
122.08138	7.3
127.25592	0.3
132.59616	0.4
157.73784	0.3
164.91988	0.5
174.27565	0.4
184.20680	0.4
242.24753	0.6
256.26352	35.3
257.26678	2.1
262.98172	0.4
268.26227	0.5
286.27441	2.2
304.28448	100.0
305.28796	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	305.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.1
58.06609	26.8
60.04530	3.4
67.05512	3.4
70.02314	9.1
70.06596	99.2
72.08162	6.2
79.05486	3.0
84.08139	11.6
86.09708	22.8
87.10074	6.0
92.29746	2.9
98.97585	5.6
120.08029	2.7
125.07925	3.9
129.10193	3.2
132.86292	2.8
142.23552	2.8
144.10187	9.6
144.12177	4.1
145.10521	5.7
159.11327	3.7
175.07187	3.9
177.05542	3.9
204.03284	3.3
222.04364	3.2
237.02686	3.6
240.05437	3.5
269.19345	7.1
286.20206	5.9
287.20419	13.7
304.21173	48.3
305.09402	11.4
305.12466	100.0
305.21512	96.0
305.51233	2.7
306.12009	12.2
306.15744	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	305.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
67.05506	0.8
69.07063	1.2
79.05475	0.8
81.07069	2.1
82.23299	0.4
83.08602	0.6
86.48691	0.5
91.05455	0.7
93.07039	1.1
95.04961	0.9
95.08584	2.0
97.10180	0.5
105.07017	1.2
107.08591	1.0
109.10160	0.7
116.39410	0.4
119.08553	0.9
121.06509	0.6
121.10147	0.5
123.11674	0.9
133.10101	0.6
135.11653	0.5
136.34604	0.4
143.02182	0.4
145.10187	0.4
149.13332	0.7
219.31862	0.4
225.22256	0.4
231.09840	1.0
261.14618	1.6
297.85175	0.5
305.13589	100.0
306.13934	4.8
306.24173	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05525	0.2
55.70938	0.3
57.24720	0.2
62.28391	0.3
67.05500	1.4
69.07089	0.3
69.53149	0.7
70.06576	0.3
76.35828	0.3
77.03923	0.5
79.05493	0.5
79.39130	0.3
81.07040	1.3
86.09695	0.9
91.05489	3.3
93.05767	0.4
93.07050	2.6
93.16973	0.3
94.06577	0.9
95.04966	1.9
95.08597	0.4
96.08131	0.9
97.06487	0.4
98.22707	0.3
104.05337	0.4
105.04510	0.8
107.04919	0.3
108.08141	2.0
108.36096	0.3
109.10175	0.6
112.21499	0.3
115.03933	0.6
121.10129	0.4
122.06032	4.1
123.06303	0.3
124.07585	8.4
125.09699	0.3
126.05502	1.1
127.03908	0.8
136.07568	100.0
137.07903	1.9
138.09093	0.8
140.07056	1.2
150.05606	0.9
152.07062	20.2
153.07385	0.3
156.10233	0.3
164.07056	78.6
165.07407	2.3
166.08626	0.8
170.08125	6.0
173.11693	0.5
182.08122	18.9
183.08545	0.4
184.09656	0.5
200.10725	0.4
208.20633	0.3
214.61493	0.3
245.12729	1.2
287.13858	7.9
287.16910	0.5
287.19119	0.3
288.14264	0.5
305.15036	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03951	0.9
55.01892	0.3
57.03434	0.2
58.91965	0.2
61.01126	0.2
65.03940	0.5
67.05518	1.3
69.70762	0.2
69.72768	0.9
71.04964	0.3
77.03954	0.7
79.05479	0.5
81.03412	0.2
81.07056	1.4
83.04975	0.3
84.08166	0.2
85.02882	0.3
86.09699	1.0
91.05482	2.8
93.05799	0.5
93.07046	2.5
94.06570	1.1
95.04969	1.8
95.08560	0.2
96.04523	0.3
96.08118	0.8
97.02891	0.4
97.06544	0.4
99.04456	0.5
105.04509	0.7
107.08637	0.3
108.04458	0.5
108.08087	1.4
109.10139	0.7
115.03883	0.6
119.08605	0.3
122.06019	3.9
124.07589	9.3
125.02360	0.3
126.05509	1.1
127.03909	1.0
128.10712	0.3
136.07570	100.0
137.02344	0.4
137.07932	2.4
138.09145	0.9
140.07071	1.2
145.10042	0.2
150.05708	1.0
152.07060	19.7
153.07397	0.4
164.07057	81.2
165.07379	1.9
166.08624	0.7
170.08130	4.7
173.11708	0.9
182.08124	17.1
183.08444	0.5
184.09579	0.5
196.63216	0.3
200.10689	0.4
217.09705	0.3
245.12827	1.5
259.14444	0.2
287.10712	0.3
287.13919	6.2
288.14127	0.3
305.14972	2.8
317.16467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
60.41086	0.4
62.96985	0.4
65.03944	0.8
65.05479	0.4
67.05514	1.5
69.07076	1.0
69.62801	1.7
69.63141	0.4
70.06602	0.8
77.03941	0.7
79.05508	1.2
81.03423	0.5
81.07062	1.4
85.02914	0.4
85.06547	0.4
86.09717	0.5
91.05482	3.5
93.07042	2.5
94.06527	0.7
95.04991	1.4
95.08611	0.5
96.08118	1.6
97.06533	0.8
100.11298	0.4
100.89965	0.4
104.58691	0.4
105.04515	1.1
105.07073	0.5
107.08621	0.6
108.04510	0.5
108.08105	1.6
109.02831	0.5
111.80482	0.4
120.08042	0.4
122.06025	5.1
124.07595	11.5
126.05559	0.9
127.03925	0.6
131.08618	0.5
136.07578	100.0
137.02336	3.6
137.07933	2.0
138.09119	1.3
140.07063	1.4
148.00768	0.4
150.05499	0.6
152.07068	19.8
153.01862	2.6
162.05627	0.5
164.07065	78.8
165.07425	2.7
166.08589	1.0
167.25186	0.4
170.08130	6.0
182.08130	17.4
184.09712	0.6
259.14352	0.5
287.13855	6.2
305.07840	0.7
305.14966	2.4
305.18213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.2
58.06590	0.2
60.04526	0.3
60.05633	0.3
68.05029	0.4
69.03413	0.2
70.06592	100.0
70.56368	0.2
71.06924	1.0
72.08157	2.2
76.29440	0.2
84.08141	1.1
86.09708	0.8
97.36686	0.2
98.06039	0.3
98.97562	0.3
104.05338	0.3
110.07186	0.3
110.09701	0.1
110.97594	0.3
116.98650	0.3
119.01922	0.3
128.98619	0.4
129.10220	0.2
132.08437	0.5
133.02893	0.4
134.06050	0.2
137.05948	0.3
144.10225	0.2
146.99634	0.3
155.11768	0.2
163.03952	0.2
173.12874	0.4
175.11971	0.3
175.32851	0.2
176.27324	0.1
177.00914	0.2
190.08665	0.5
192.01910	0.3
217.98972	0.2
218.08289	0.2
219.01974	0.5
235.10788	0.2
243.02095	0.3
261.03055	1.8
261.15948	0.3
282.96542	0.2
289.15488	0.2
300.97375	0.3
305.21411	0.5
306.00497	0.2
306.11856	9.4
306.15744	1.0
306.18719	0.5
306.21921	0.7
307.12296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04652	0.5
55.05511	0.7
56.05032	0.8
58.06596	0.6
67.05507	11.8
68.05035	0.7
69.07064	0.8
70.06593	100.0
71.04994	1.1
71.05619	0.6
71.06934	1.0
72.08154	2.8
74.02452	1.8
80.12071	0.5
82.06609	0.8
83.04996	0.9
84.08146	3.8
85.02927	0.5
86.09715	0.7
94.06565	2.4
95.04978	7.0
96.08123	0.6
97.06527	0.7
98.06050	2.9
98.58247	0.5
100.07643	1.0
103.18925	0.5
110.06048	5.7
112.07607	34.2
113.06014	7.6
114.10287	1.0
117.03396	1.2
122.06059	2.4
123.06813	3.9
126.05492	2.5
130.08629	2.8
134.04485	6.0
137.05988	0.6
138.05539	2.2
140.07063	8.7
141.05492	0.9
145.02844	4.0
149.41978	0.5
150.05515	0.8
152.00624	0.5
154.08621	3.6
158.08145	1.1
166.95146	0.5
168.06496	2.9
172.09740	3.0
177.05482	6.1
178.05112	0.8
182.08160	4.7
182.53845	0.5
183.89926	0.5
183.91632	0.5
186.07623	17.5
187.07904	0.5
188.07054	0.7
188.10707	3.9
190.10835	1.1
198.07655	1.5
200.09196	4.2
210.07617	26.5
211.08093	0.9
216.10210	2.6
222.41206	0.5
228.08667	7.9
232.09683	11.2
238.07124	1.4
246.09718	28.6
247.10039	1.0
274.09271	1.6
287.20120	0.6
288.10770	50.3
289.10989	2.3
305.21506	3.2
306.11533	16.5
306.21570	2.7
307.12469	1.0
307.14209	0.6
307.17636	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72575	0.3
58.02942	0.3
62.72400	0.3
67.05469	0.5
69.07069	1.7
71.21548	0.4
75.11420	0.3
79.05490	0.6
81.07053	0.6
87.71201	0.3
93.07033	0.4
94.04172	1.9
95.08646	0.3
100.07623	0.3
107.08561	0.5
109.10166	0.7
112.70522	0.3
114.09130	0.4
116.04950	0.3
122.03647	4.7
123.03980	0.3
126.09152	0.5
133.10144	1.1
135.11720	0.9
137.05975	100.0
138.06346	2.2
151.11192	0.5
153.12743	1.2
163.90820	0.3
166.84814	0.3
170.15419	2.1
175.63078	0.3
182.15384	2.2
195.25301	0.4
277.58319	0.3
306.20636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76242	2.0
55.05501	5.8
56.05031	2.3
56.69068	2.2
61.16444	2.3
65.39185	1.7
67.05510	17.7
69.07063	2.8
70.06593	14.8
72.49728	1.9
79.05482	8.9
80.94852	4.0
81.07068	11.3
91.05482	2.8
93.07056	8.8
95.08617	9.0
96.08116	3.1
102.98128	2.0
105.07032	3.5
107.08598	4.7
109.10181	2.1
137.09569	2.2
164.92078	8.0
173.66521	2.3
191.31508	2.4
261.03131	7.3
287.66653	2.8
288.26865	47.1
289.27267	3.0
306.27930	100.0
307.28250	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52211	0.5
53.03925	0.6
55.01863	1.2
55.05512	7.6
57.07072	1.6
58.06598	0.7
61.42782	0.5
67.05502	10.5
69.07066	7.8
69.09460	0.6
69.35211	2.5
73.06548	0.7
79.05485	2.4
80.94825	1.0
81.07054	8.2
83.08612	2.2
85.05284	2.9
86.06057	1.6
91.05470	1.0
93.07041	1.6
93.73431	0.5
95.04924	0.6
95.08607	5.5
96.08134	0.8
97.10191	1.0
98.06051	13.5
105.07030	0.9
107.08583	1.5
109.10153	1.7
112.07617	2.5
121.10164	0.8
122.03658	0.8
123.11685	0.6
124.26933	0.6
128.69186	0.6
137.05945	4.7
138.09094	0.6
140.10692	0.6
142.63823	0.5
154.12209	0.9
183.83398	0.6
196.64883	0.5
204.06122	0.6
208.17023	1.1
219.02043	0.6
222.18507	1.0
261.03143	2.2
306.27905	100.0
307.28238	6.1
325.77057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01874	0.9
55.05512	7.4
57.07084	0.9
65.03925	0.4
67.05505	9.8
69.07069	8.1
69.45962	0.7
71.04987	0.2
71.08617	0.3
72.04504	0.7
72.08173	0.2
75.37788	0.1
79.05493	2.2
80.05038	0.2
81.07056	7.2
82.06560	0.4
82.07343	0.2
82.33207	0.2
83.08620	2.5
84.08089	0.2
85.05281	2.4
86.06078	1.0
88.78761	0.2
91.05480	1.2
93.07053	1.5
95.04938	0.2
95.08019	0.3
95.08608	4.7
96.08132	0.2
97.06589	0.2
97.10162	0.8
98.06053	14.6
98.09734	0.2
98.23453	0.3
98.98490	0.2
99.06862	0.3
105.07021	0.6
107.08587	0.8
109.10168	1.5
110.09683	0.5
112.07581	1.8
119.08565	0.6
121.10162	0.5
123.11749	0.3
124.11222	0.4
125.08441	0.2
126.09135	0.6
131.08487	0.2
133.10117	0.2
134.09546	0.2
135.11685	0.4
136.93961	0.2
137.05992	1.2
138.09134	0.4
139.24420	0.2
140.10687	0.7
142.12326	0.2
152.10736	0.5
154.12244	0.7
166.12245	0.4
168.13844	0.5
180.13818	0.3
182.15369	0.6
194.15367	0.5
196.17027	0.6
208.17035	0.9
210.18532	0.3
222.18550	0.7
224.20036	0.3
236.20087	0.5
250.21628	0.3
261.03009	0.4
264.23117	0.3
306.27896	100.0
307.28241	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	306.9017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
60.05639	0.8
69.03427	1.0
70.06596	2.0
71.04992	0.6
72.08138	0.5
77.59127	0.4
79.64698	0.4
81.03437	0.9
85.02900	1.4
94.58360	0.4
94.93014	11.7
97.02882	1.4
99.04441	1.2
106.19955	0.4
109.02858	1.1
112.89581	0.7
118.08660	1.1
127.03923	4.8
129.26274	0.4
130.09778	0.5
133.40178	0.4
145.04996	0.9
150.91917	1.5
161.94949	0.5
165.96672	0.5
175.11830	0.4
186.06100	1.0
187.06157	0.5
189.13438	1.2
202.89091	100.0
203.89424	1.0
208.97281	2.0
216.90631	3.4
218.92244	3.1
232.90129	0.6
232.92238	0.9
244.90192	4.3
246.88107	4.1
288.89093	1.5
306.90125	6.5
307.15936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53852	0.6
58.99853	1.0
69.03441	1.1
69.89245	0.6
70.10883	0.7
70.11220	1.6
70.99872	1.1
77.00905	0.9
82.30537	0.7
82.99810	3.0
84.08138	1.6
85.02886	1.0
89.00888	0.6
91.02467	0.9
94.93041	3.0
94.93583	0.6
97.01373	1.8
97.02867	0.9
101.00883	38.1
102.00989	1.2
104.10748	3.3
112.89547	1.3
113.00875	3.0
113.03508	1.0
115.02428	13.2
117.04000	1.9
119.01921	100.0
120.01977	4.7
121.01624	0.8
121.02406	0.7
126.98822	1.2
127.03929	1.8
129.03983	4.6
131.01920	9.3
133.03477	17.8
134.03644	0.9
135.05023	1.9
137.01900	1.0
137.02954	21.3
137.52046	0.7
142.03568	0.9
143.01904	9.0
144.80305	0.7
144.99745	3.3
145.03477	2.1
147.01381	1.2
147.05034	5.1
148.05151	0.8
149.02969	2.5
151.04520	1.6
155.01968	1.4
157.03450	2.7
159.01440	4.0
161.02965	19.2
162.03149	0.7
163.04507	1.0
164.93597	1.1
168.99817	14.3
171.01395	1.3
172.99419	1.0
173.02950	4.9
175.04544	1.1
177.02449	12.7
177.04036	0.8
178.02563	0.7
185.02979	1.5
187.00882	33.9
188.01062	1.5
189.02473	2.6
191.04007	4.5
193.03825	0.7
196.99313	9.1
199.00893	1.4
201.02505	3.9
202.89114	3.0
203.04047	1.1
205.01938	13.9
205.03746	1.3
206.02097	0.7
207.03563	0.8
215.00371	43.0
216.00600	2.0
217.01984	2.8
219.01495	0.7
219.03523	14.0
229.01918	23.8
229.04189	1.2
230.02184	1.6
232.92311	2.7
232.99527	0.8
233.01471	4.5
237.04533	1.7
247.02998	81.7
248.03239	6.1
248.58549	0.7
261.03073	2.6
265.04068	16.1
265.07336	0.9
265.07895	0.8
266.04205	1.3
270.04538	1.8
283.05069	1.6
289.04065	14.1
307.04974	10.9
307.07956	19.9
307.11755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46565	0.5
70.06589	2.2
72.08154	1.0
76.02232	1.0
84.04507	0.8
84.08135	1.2
85.02911	0.8
86.09702	0.5
90.94814	0.6
97.02887	0.9
98.98478	0.6
100.92708	0.5
101.00870	1.4
109.02914	0.5
112.70123	0.5
116.98605	0.6
119.01921	6.1
127.03937	2.4
134.99782	0.5
137.02937	0.9
155.01031	0.6
158.99872	1.0
162.02171	0.7
174.03941	1.0
175.11859	1.0
177.00966	10.0
178.01027	1.1
179.04915	0.7
182.99821	0.9
183.01248	1.2
201.00941	1.8
214.79750	0.5
215.93297	0.5
217.04126	2.0
217.08774	2.2
219.02002	17.6
220.02205	1.9
225.00839	2.4
234.99779	0.6
242.95920	0.5
243.02022	9.5
244.02231	1.0
261.03067	100.0
262.03210	9.0
264.58136	0.6
272.42041	0.5
284.04681	4.9
306.22098	0.6
307.13004	0.5
307.16354	0.8
307.19849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01865	4.3
57.03433	6.9
61.02930	4.5
67.05492	2.1
69.03429	37.9
69.07061	2.2
69.62732	4.9
70.06590	1.6
71.04997	6.7
73.02916	5.1
77.84563	1.4
79.05490	1.7
81.03413	28.4
81.03899	2.0
81.07052	4.4
83.15628	1.2
85.02908	72.8
86.03249	1.9
91.05463	2.6
93.03445	1.3
93.07045	2.1
97.02900	35.1
97.06544	1.6
98.06054	1.4
98.23413	1.6
98.98487	2.5
99.04454	42.8
103.03945	67.5
105.07005	2.1
107.08581	2.0
109.02876	21.6
109.06507	2.3
109.10186	1.9
115.03984	1.4
119.08615	2.1
120.08115	1.4
121.02894	2.4
122.06052	1.4
123.06811	1.5
124.07585	5.6
124.63361	1.3
126.09132	3.0
127.03918	100.0
128.04228	1.7
130.41100	1.4
136.07584	31.4
138.09142	30.0
138.10159	2.1
141.27377	1.2
145.02927	1.7
145.04968	27.5
145.07617	1.4
147.09167	5.0
152.07103	8.8
159.09225	1.3
161.02373	1.8
163.03912	2.0
163.06021	6.2
164.07066	61.8
170.08089	3.0
177.05437	1.8
177.30994	1.4
182.08133	14.4
187.06023	16.0
189.01808	10.5
191.08136	16.2
205.07085	11.9
207.02914	4.5
220.82005	1.4
243.11499	1.6
263.13931	2.5
271.08142	3.5
289.09164	1.6
289.12073	1.7
289.15353	3.6
307.06033	31.8
307.12857	26.3
307.15631	1.3
307.18564	1.5
308.06760	3.6
308.18896	1.2
308.22372	1.2
327.75793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01872	2.3
55.05527	1.0
57.03435	5.8
57.07069	2.7
61.02924	4.8
67.05509	1.2
69.03431	33.3
69.07061	1.8
69.78900	3.3
70.06595	11.2
71.04996	7.0
71.08651	1.6
72.08160	1.5
73.02921	5.9
81.03418	29.0
81.07068	2.9
83.15659	0.9
84.08156	2.4
85.02906	86.7
85.43951	0.8
86.03226	1.1
86.09681	1.3
87.04469	1.7
88.07630	7.5
89.92532	0.9
93.07048	1.8
95.08595	1.7
97.02891	26.3
98.22746	1.2
98.98470	1.0
99.04455	46.4
101.02406	1.2
103.03945	81.9
104.93037	1.0
105.07024	1.6
107.04944	1.2
109.02878	26.2
109.10190	1.5
110.03281	1.3
114.09164	5.1
123.11732	1.1
127.03915	100.0
128.04263	2.3
132.10202	18.1
133.10536	1.6
137.05998	1.0
139.03946	1.0
145.04950	31.0
147.08064	1.2
163.05992	7.5
176.12845	3.2
177.05450	0.9
187.06021	14.8
194.13904	3.5
200.20122	2.7
201.20366	1.3
205.07109	6.9
210.20937	1.2
218.21112	2.0
261.03076	1.3
262.23959	1.3
267.70291	1.1
271.08105	2.2
289.09207	1.1
299.01505	1.0
306.26398	62.0
307.26724	24.1
314.62857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58337	0.9
53.00303	1.1
53.03947	7.6
55.01868	4.1
55.93506	0.9
56.05028	1.3
57.03437	8.2
58.51831	0.8
58.99588	4.2
58.99834	0.7
60.52406	0.8
61.01142	1.0
61.02912	1.9
69.03427	17.5
70.06585	0.9
71.01341	2.3
71.04665	0.8
71.04993	6.9
72.93803	1.5
73.02902	2.2
76.02228	21.2
76.03985	1.1
79.05456	1.2
81.03416	17.3
83.04987	1.3
84.04020	0.9
84.04502	12.9
84.08134	4.1
85.02902	32.5
86.98997	0.9
87.00806	0.8
90.94825	1.8
91.05450	0.8
95.04937	1.4
96.35769	0.8
97.02889	34.6
98.98474	1.8
99.04459	18.4
101.00889	3.9
101.02349	1.0
102.84351	0.8
103.03915	1.2
107.04897	0.8
109.02878	21.5
111.04415	1.4
115.02374	1.0
115.03926	2.2
116.01668	4.8
117.05497	2.4
119.01911	11.3
123.04437	2.3
124.36481	0.8
127.03911	100.0
128.04263	1.5
130.05026	3.5
131.01906	1.6
131.95091	1.0
132.08411	5.9
132.95834	1.6
133.03439	1.9
137.02922	2.6
137.05948	0.9
142.03235	3.2
143.01913	1.1
144.01108	2.3
145.03758	1.4
145.04950	17.3
149.96135	2.5
150.96889	1.9
159.01358	0.9
160.04340	0.9
161.02933	2.2
161.96021	0.9
162.02155	7.8
163.06004	1.7
164.98047	0.8
168.99756	1.7
169.05069	1.1
170.03056	0.6
171.85207	0.8
173.02989	1.7
173.04471	1.3
177.00929	1.9
179.04848	11.8
181.04901	1.3
187.00870	3.1
192.97523	0.9
193.04886	1.9
201.06108	1.6
202.89114	2.4
215.00339	3.4
219.01840	4.0
219.03815	1.3
220.96999	0.8
223.05791	0.8
229.01945	2.3
229.07162	0.8
233.05911	2.6
241.07042	1.5
242.95331	1.4
243.01958	2.7
247.02982	5.2
253.07097	1.2
261.03061	20.6
262.03204	1.9
271.07919	1.1
284.04715	0.9
289.04007	1.0
307.05075	1.2
307.10178	1.4
307.16232	1.7
308.08954	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1765
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
60.05642	5.8
70.06596	1.6
72.08151	11.7
73.58607	0.8
78.43948	0.9
89.03902	3.6
97.07639	2.4
98.98457	2.9
108.95456	1.0
114.10290	17.3
115.08697	1.5
117.03383	15.9
123.54909	1.0
128.10715	2.4
130.06514	2.9
131.12930	7.2
135.04362	0.9
145.02841	61.4
146.03227	1.6
149.05945	5.0
150.08878	0.9
155.01071	1.3
157.07626	2.5
157.10947	1.9
158.05989	3.7
163.03922	1.4
175.08684	1.0
177.05467	100.0
178.05804	2.4
192.66634	1.0
212.50624	0.9
223.18443	1.0
228.60643	0.9
247.14369	2.4
248.12880	2.5
261.03036	1.4
261.08591	1.4
290.14954	5.8
307.17627	82.0
308.18372	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	307.1767
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
55.02989	0.4
55.05514	0.4
60.05651	2.3
63.02365	0.3
67.05498	0.9
69.03442	0.4
69.21820	1.8
70.06582	0.9
72.07787	0.5
72.08155	6.3
77.03877	0.3
79.05469	0.3
80.14503	0.3
80.21727	0.3
81.03440	0.3
85.02901	1.0
85.06525	0.3
86.09708	0.5
87.23917	0.3
88.55421	0.3
89.03912	2.0
89.10791	0.4
93.07030	0.3
97.02876	0.4
97.07672	1.5
97.53546	0.3
98.06055	0.5
98.22648	0.5
99.04453	1.0
103.03944	0.7
109.10200	0.6
114.10298	13.9
115.08688	3.5
117.03387	12.8
119.04917	0.3
126.97033	0.3
127.03923	1.4
131.12929	3.2
134.03676	0.5
135.04439	0.4
145.02852	56.3
146.03171	1.2
149.05995	4.5
157.10841	0.9
163.03868	0.7
177.05475	100.0
178.05797	2.4
186.05556	0.6
189.01875	0.9
207.02847	0.4
232.12038	0.3
247.14407	3.3
248.12820	4.2
248.15091	0.6
265.15402	0.7
289.21628	0.3
290.15012	7.2
305.86237	0.3
307.06223	1.8
307.17654	75.7
308.17999	3.5
323.27695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03938	4.4
55.01875	10.7
55.05514	49.2
56.17015	3.2
56.44607	2.9
57.03442	22.3
57.03681	4.1
57.07082	15.9
57.14436	3.3
59.05002	81.7
67.05502	39.3
69.07072	11.9
69.47717	13.5
70.06592	4.3
71.05006	5.5
73.06544	7.3
74.06881	4.0
76.02278	3.2
79.05500	40.9
81.06627	5.6
81.07066	66.8
83.04988	100.0
83.08629	7.9
85.06549	4.7
91.05475	34.8
93.03395	3.6
93.07050	31.8
95.04974	12.4
95.08631	25.9
97.06560	3.7
97.10179	6.7
98.22710	3.5
98.98470	5.6
99.04459	6.0
105.07037	32.4
107.04959	13.9
107.08608	22.6
109.06520	27.0
109.10188	15.6
111.04450	96.5
111.08180	3.0
115.11201	10.3
117.07014	12.2
119.08575	21.7
121.06516	8.6
121.10139	12.8
123.08068	7.0
123.11751	3.7
125.05978	3.6
127.07499	3.0
129.07014	4.8
131.08565	19.8
133.10135	16.1
135.08055	14.7
135.11703	10.6
137.05969	8.5
137.09641	3.5
138.06258	4.9
139.07347	3.6
141.06995	3.7
143.08582	7.9
145.06532	6.2
145.10120	11.1
147.08035	14.1
147.11673	8.5
149.09599	4.4
149.13306	6.6
151.11150	4.9
155.01077	3.5
155.08423	3.7
157.10152	3.5
159.08083	11.1
159.11693	9.3
161.09601	5.9
161.13188	3.3
163.07507	4.7
163.11194	14.0
164.92073	5.1
171.11694	4.4
173.13188	3.9
173.15361	5.6
175.11220	4.4
177.12781	14.1
178.13567	4.5
179.14537	3.4
183.11577	4.5
187.14723	5.3
189.12822	4.6
193.12218	3.5
199.11238	3.8
199.61316	3.6
205.15880	10.0
216.30637	3.0
233.15346	18.9
243.01991	4.9
243.17490	5.8
247.20552	4.0
257.19028	3.6
261.03006	22.3
261.18475	25.1
271.17032	12.7
275.20126	32.6
284.04669	3.5
289.18030	46.8
289.21207	6.7
289.27206	3.5
307.19296	5.6
307.22723	13.8
307.28220	9.4
308.19498	4.5
308.23618	15.0
308.29468	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.1
55.05504	26.2
57.03431	21.4
66.81144	4.2
67.05497	33.7
69.03445	5.2
69.07059	17.9
69.13605	21.4
69.14009	7.9
70.06599	5.6
79.05479	33.5
81.03416	5.6
81.07053	46.8
83.08620	15.5
91.05476	28.3
93.07053	30.2
94.37634	4.2
95.04967	39.9
95.08603	22.1
97.06549	5.8
97.10175	15.2
98.98463	7.9
105.07016	34.0
107.04974	7.1
107.08588	20.4
109.06526	15.2
109.10125	23.2
117.06982	14.3
119.08565	32.0
121.06516	8.7
121.10130	21.5
123.08066	6.8
125.09644	11.7
128.06194	7.4
129.06984	9.7
131.08556	22.6
133.10120	25.2
135.08040	7.8
139.35413	4.2
141.07022	6.2
142.07721	6.5
143.08556	18.7
143.43846	5.0
145.10115	14.3
147.08076	10.1
147.11621	7.6
153.06911	4.5
155.00980	7.8
155.08612	11.2
156.09273	8.0
157.10110	28.7
157.98825	4.1
159.08022	35.2
159.11707	15.4
161.09601	7.4
164.92006	6.2
165.06955	8.4
167.08560	8.7
169.10110	17.3
170.10843	4.8
171.11700	12.5
173.13258	8.6
179.08554	10.6
180.09352	6.4
181.10175	11.5
183.11656	12.9
185.09576	5.9
185.13286	8.2
192.09346	8.2
193.10103	13.9
194.10942	5.6
194.15817	5.3
195.11726	16.1
197.13292	15.5
198.13977	6.2
199.14844	15.4
203.08568	7.3
206.10794	9.8
207.11713	14.4
208.12450	12.1
209.13283	13.6
211.11098	6.0
211.14807	10.1
213.12749	6.2
215.14302	9.0
220.12555	7.2
221.13211	9.5
223.14795	19.6
231.11525	6.6
233.13252	10.5
233.15340	10.8
237.12801	10.9
239.17798	5.1
249.16306	6.3
251.14325	12.5
253.15977	4.8
261.03162	26.9
263.17899	7.4
271.16904	17.6
274.16998	5.6
279.21060	19.2
284.04941	5.1
289.17770	37.2
307.17712	5.9
307.20679	100.0
307.28195	14.8
308.20920	4.7
308.26294	7.0
308.29358	25.4
323.41144	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	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03956	4.3
54.18039	3.8
55.01869	5.7
55.05510	12.5
56.53757	3.1
57.03427	6.1
59.04989	3.5
67.05505	29.6
69.07064	18.4
70.06585	5.2
71.44831	2.9
79.05489	29.1
81.03390	3.6
81.07056	39.8
83.04961	4.2
91.05475	37.3
92.15495	3.2
93.07050	27.5
95.04967	47.3
95.08613	15.7
97.06526	20.9
97.90563	3.2
98.98446	5.1
105.07031	76.2
107.04962	4.0
107.08593	15.6
109.06498	10.2
109.10125	6.7
115.05447	10.4
116.06245	4.5
117.07048	21.3
119.08577	57.5
121.06503	4.9
121.10133	13.1
123.08057	4.3
128.06221	23.1
129.07019	27.2
130.07800	6.5
131.08565	35.1
133.06537	3.3
133.10130	85.9
141.06923	16.7
142.07767	25.4
143.08572	59.3
144.09332	10.5
145.06473	5.6
145.10136	30.9
147.08022	10.7
147.11678	11.5
147.59531	3.3
149.09612	5.9
153.07018	10.1
154.07751	10.0
155.08545	16.5
156.09357	21.4
157.10155	34.1
158.10860	16.3
159.08095	4.3
159.11700	27.4
161.09602	9.7
165.07007	10.2
167.08545	28.9
168.09343	8.0
169.10123	54.3
170.10881	6.9
171.11684	25.3
173.13269	23.3
177.69281	3.2
179.08592	15.8
180.09286	10.4
181.10117	28.6
182.10898	24.0
183.11714	20.1
184.12549	8.0
185.09619	5.9
185.13283	7.9
187.11209	5.1
191.08528	4.6
192.09366	6.4
193.10121	23.2
194.10907	16.6
195.11691	19.5
196.12453	12.4
197.13249	44.7
198.14087	3.7
199.14813	6.8
204.09300	4.6
205.10152	7.8
206.10916	19.2
207.11668	28.4
208.12482	15.3
209.13208	25.0
211.14819	13.6
215.14488	4.0
216.09412	4.4
217.10083	5.9
218.10904	7.5
219.11688	13.4
220.12502	12.5
221.13289	28.8
222.14020	9.0
223.11290	4.2
223.14917	18.5
229.09895	4.1
231.11679	8.3
232.12425	7.8
233.13245	17.9
234.14099	13.7
235.14862	14.2
236.15616	5.0
237.16364	13.7
244.12459	10.7
245.13139	7.9
246.14044	8.0
247.14825	11.6
248.15613	11.6
249.16370	8.4
250.16507	4.7
251.14279	11.9
251.17926	4.3
259.14816	19.7
261.03165	18.4
261.16254	3.8
263.17923	20.2
264.17651	4.9
266.16302	3.7
274.17130	14.5
279.20920	5.8
289.19485	12.3
307.20642	100.0
307.28253	8.0
308.20850	6.4
308.23770	55.9
308.29388	10.7
315.36896	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40243	0.7
53.03957	1.0
55.01879	3.6
55.05262	0.9
55.05513	13.1
56.05829	2.0
56.21397	0.6
57.03428	1.4
57.07069	1.7
67.05505	25.6
68.05836	2.3
69.03415	1.0
69.07068	15.7
70.06597	1.0
70.07392	1.5
71.04986	1.2
71.21162	1.0
72.12088	0.7
74.67071	0.7
79.05496	12.9
80.05824	0.7
81.03407	1.9
81.07057	31.0
82.07376	2.3
83.04970	2.3
83.08613	5.1
84.08927	0.9
85.05284	2.1
85.06538	1.3
91.05479	9.8
92.80515	0.6
93.07040	15.4
94.07345	0.8
95.04965	10.2
95.08611	16.6
96.08934	1.7
97.06523	3.9
97.10167	1.7
98.06046	11.5
98.98514	1.1
99.06407	2.9
105.07027	11.2
107.04968	2.2
107.08589	7.9
109.06519	5.2
109.10146	7.5
110.10494	0.8
111.08093	0.8
112.07620	0.9
117.07016	4.4
119.08588	12.3
120.08936	0.7
121.06515	1.7
121.10152	6.7
123.08068	5.2
123.11711	2.3
125.09621	0.7
126.09128	0.8
129.07014	1.5
131.07706	1.0
131.08563	5.5
133.06512	0.9
133.10136	8.3
135.08075	2.3
135.11696	3.6
137.09607	3.4
143.08504	1.1
145.10109	5.4
147.08058	1.1
147.11655	5.6
149.09592	3.4
149.13203	1.2
151.11165	2.3
155.01025	0.7
157.10175	1.3
159.11610	3.5
161.13235	2.3
163.11179	2.3
163.14859	0.7
165.12747	1.7
169.10150	0.9
171.11710	1.3
173.13287	3.1
175.11163	0.8
177.12750	1.4
183.11746	1.2
184.29823	0.7
193.12196	1.0
197.13326	1.3
201.12772	0.9
209.17213	0.8
219.17523	1.6
223.18811	0.7
229.19496	1.0
239.17990	1.0
247.20576	2.0
257.19034	3.3
261.03116	3.5
275.17026	1.3
275.20047	26.9
276.20450	1.9
289.21567	4.8
290.28424	5.1
306.27939	3.5
307.22995	13.2
307.28232	100.0
308.23111	1.3
308.29190	4.7
321.08820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.55132	1.6
53.03948	5.7
55.01867	10.5
55.05254	2.7
55.05514	34.6
57.03432	5.2
57.07056	4.7
59.05006	2.0
65.03932	4.7
67.05505	76.5
68.05830	2.9
69.03432	3.2
69.07071	33.0
70.06574	3.7
71.04992	5.7
71.46848	2.4
74.21397	1.9
79.05495	42.6
81.03429	10.4
81.07054	96.2
82.07430	1.8
82.87819	1.7
83.04971	17.1
83.08625	13.0
85.06551	5.6
91.05479	40.5
93.07040	45.5
93.07606	3.4
93.92506	1.9
95.04966	41.6
95.08600	46.2
97.06525	18.4
97.10183	4.8
98.97625	1.6
98.98410	2.3
99.08119	2.3
105.04573	2.8
105.07025	54.2
107.04960	8.8
107.08591	32.1
109.06519	16.2
109.10160	31.2
111.08114	5.0
117.07023	12.5
119.08585	49.7
121.06520	9.5
121.10136	20.7
123.08068	18.1
123.11719	8.9
125.09615	3.1
129.07002	4.6
131.08553	19.9
133.10124	39.5
135.08051	9.9
135.11678	13.2
137.09608	14.2
137.13269	2.4
141.06996	2.3
143.08569	4.3
145.10127	19.6
147.08060	2.8
147.11694	26.6
149.09639	14.5
149.13274	6.1
151.11148	13.3
155.08530	3.2
157.10164	4.2
159.11678	15.8
161.09605	4.4
161.13200	5.5
163.11183	11.0
163.14819	2.1
164.92125	2.3
165.12758	6.8
169.10124	3.8
171.11707	4.9
173.13251	11.7
175.11140	4.6
177.12700	3.7
183.11749	3.8
183.13814	3.9
187.11130	2.3
187.14757	3.5
191.14305	2.1
193.12204	2.3
197.13309	2.9
201.12733	4.9
205.15790	1.8
207.13757	3.5
219.13776	2.5
219.17366	2.0
229.19505	5.0
233.15335	2.5
239.17915	7.7
247.20633	12.5
257.18994	17.3
261.03094	6.9
262.96454	1.8
263.20187	2.8
275.20056	100.0
276.20367	5.4
279.23190	2.4
288.26187	1.8
289.21625	14.6
290.28433	20.3
307.19196	3.3
307.22687	46.2
308.29477	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	307.2271
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.07975	2.2
55.01858	5.6
55.05514	18.2
57.07074	2.8
59.04998	2.5
67.05503	31.4
69.07071	25.4
69.31638	7.8
69.32058	4.7
71.04980	4.2
72.53592	2.1
79.05497	18.9
81.06622	4.3
81.07060	38.2
83.04964	5.9
83.08627	5.8
91.05489	15.9
93.07049	30.0
95.04984	7.2
95.08621	24.9
97.06534	3.3
97.10165	2.6
98.22651	3.2
98.98483	2.7
105.07030	26.0
107.04957	8.9
107.08582	19.1
109.06519	12.9
109.10168	12.4
117.07027	6.1
119.08591	10.7
121.06493	10.8
121.10143	7.1
123.08087	6.8
123.11681	3.5
129.07054	2.5
131.08571	16.3
133.06499	3.9
133.10144	16.3
135.08078	5.4
135.11703	6.1
137.09601	5.3
143.08549	3.8
145.10138	10.4
147.08023	2.8
147.11708	10.0
148.99352	2.9
149.09631	5.9
149.13240	3.1
151.11176	6.4
153.12639	2.0
155.01073	3.9
157.10197	3.9
159.11664	9.3
161.09602	3.3
161.13251	2.3
163.11172	7.3
173.13269	5.7
177.12784	2.3
203.40303	2.1
219.13860	3.7
229.19498	3.1
247.20613	2.7
257.18985	9.1
261.03116	8.4
275.20078	100.0
276.20221	3.3
289.21689	3.9
307.22754	48.0
307.26117	4.1
308.29498	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	307.2268
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
53.03933	21.6
55.01875	37.8
55.05510	29.9
67.05506	51.7
69.07069	51.2
69.26435	7.4
69.26839	16.3
71.04990	5.8
72.66444	3.2
79.05486	47.9
81.03418	32.6
81.06571	4.1
81.07056	81.7
83.04971	12.1
83.08612	8.7
85.06539	9.4
91.05479	42.9
93.07036	55.2
95.04983	14.3
95.08604	46.9
97.06529	77.5
97.10168	9.3
99.08082	3.7
105.07031	74.9
107.04955	37.7
107.08585	32.8
109.06517	8.1
109.10146	12.4
111.08047	7.0
117.07037	11.8
118.67249	3.2
119.08583	38.3
121.06517	6.3
121.10147	11.7
123.08066	12.3
123.11677	4.2
125.09679	17.2
129.07050	3.7
131.08563	26.4
133.10132	43.3
135.08073	11.0
135.11652	19.2
137.09645	6.1
143.08606	4.6
145.06494	6.8
145.10098	20.0
147.11668	21.4
149.09641	25.5
149.13261	14.5
151.11209	6.8
159.11671	23.1
161.13240	6.1
163.11232	6.1
169.10124	5.0
177.12778	26.9
179.14334	20.5
187.11218	11.9
203.12755	8.5
205.12225	6.4
206.19635	3.7
219.43761	3.6
239.18135	4.3
247.20531	5.7
257.18979	11.9
275.20053	100.0
276.20407	8.1
307.22705	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.48740	0.3
55.05509	1.0
57.07063	0.6
59.04983	0.3
60.53727	0.3
67.05503	3.6
69.07060	1.4
69.76515	0.7
69.76848	0.3
70.06580	1.3
71.08626	1.1
79.05497	1.7
80.94846	1.3
81.07048	4.4
83.08629	0.4
84.08098	0.3
91.05482	0.8
93.07020	1.4
94.04182	1.6
95.08604	2.7
98.97609	0.3
99.08086	0.5
105.06994	0.3
107.08574	0.8
109.06506	1.0
109.10161	1.0
119.08572	0.8
121.10148	0.4
122.03639	5.4
123.03980	0.3
133.10062	0.3
135.04341	0.3
135.11694	0.6
137.05966	100.0
137.13240	0.5
138.06303	1.8
149.13272	0.3
164.92043	1.1
165.12698	1.4
172.16975	1.1
184.16983	2.5
262.03186	0.4
263.02911	0.4
290.28397	5.4
291.23102	4.0
301.72980	0.3
308.18781	0.3
308.22333	0.6
308.25793	2.2
308.29446	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	308.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41206	0.3
54.53084	0.3
55.05498	0.4
56.05043	1.4
58.06601	100.0
59.06929	1.1
67.05506	0.5
69.62623	1.0
73.05322	0.6
73.90649	0.3
79.05527	0.5
79.68662	0.4
81.07049	0.4
88.07632	1.5
90.86991	0.3
95.04963	0.4
98.97593	0.3
98.98474	0.4
118.08620	1.9
129.07382	0.4
164.92081	0.5
171.12041	0.3
172.79044	0.3
262.03113	0.5
290.18295	0.4
308.25836	17.6
309.26248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05509	18.1
56.05023	2.2
57.03425	4.3
57.07079	2.4
58.06602	8.3
58.06851	1.5
63.07014	1.1
65.03945	3.5
67.05502	72.0
69.03409	2.2
69.07066	17.9
69.73432	4.8
70.06234	2.2
70.06593	31.1
70.32593	1.5
71.08646	1.6
72.08154	1.7
73.04752	1.6
74.06089	2.4
77.03925	1.2
79.05489	29.2
81.03432	1.7
81.07053	72.4
82.06619	1.7
82.07436	1.3
82.57976	1.3
83.08623	7.7
84.08142	8.8
85.06499	1.3
91.05470	32.6
93.07042	38.6
93.07604	2.5
95.04940	6.2
95.08604	48.6
96.08143	2.5
97.06548	1.9
97.10179	4.1
98.09657	1.4
98.97617	1.5
105.07007	15.4
107.08595	18.2
108.08094	1.6
109.06487	2.4
109.10148	20.2
110.09696	1.7
111.08073	1.4
117.07015	7.1
119.08571	14.9
121.10139	15.9
123.04503	1.3
123.08089	2.9
123.11713	11.8
124.11211	1.5
129.07275	2.1
131.08578	12.8
133.10132	13.5
135.11713	8.7
137.13258	3.1
140.14316	1.9
143.08583	2.6
145.10124	4.8
147.11729	7.0
149.13263	4.7
151.11250	1.9
151.14752	1.5
157.10136	1.6
159.11613	2.0
161.13252	4.5
163.14853	3.8
166.44414	1.4
171.11877	2.0
173.13278	1.5
175.14865	3.7
177.16411	1.6
189.16374	3.8
191.17914	2.3
194.18904	1.3
199.14861	4.1
217.15913	6.2
217.19516	1.3
230.94835	1.3
238.95471	1.3
239.84923	1.3
247.20413	1.7
259.20514	2.9
262.03333	1.5
272.23630	7.5
273.18515	3.0
273.25861	4.7
285.10043	1.6
290.24939	7.1
290.28381	86.4
291.19659	3.3
291.28705	4.5
308.19122	4.8
308.25845	40.8
308.29489	100.0
309.16977	2.1
309.20496	11.2
309.26517	3.1
309.29868	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	308.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
53.43884	0.9
55.05515	14.5
56.05023	1.0
57.03435	1.5
58.06593	3.9
58.39444	0.8
65.03940	2.0
67.05505	60.2
68.05824	1.1
69.07069	10.8
70.06590	18.2
76.74548	1.1
79.05492	17.0
81.07056	38.6
83.08623	4.6
84.08153	2.3
91.05469	7.4
93.07044	18.1
95.04945	1.0
95.08020	1.7
95.08609	26.0
96.08149	2.3
96.78358	0.8
97.10165	1.7
105.07001	5.5
107.08598	9.6
109.10161	13.3
119.08594	4.4
121.10152	6.0
123.11698	3.5
124.11244	1.5
133.10141	4.2
135.11720	5.0
140.14293	0.9
147.11705	3.5
148.49753	0.9
149.13269	3.4
150.12700	0.9
161.13245	1.3
163.14838	1.1
222.69934	1.0
272.00067	1.0
273.25693	1.2
290.28418	100.0
291.28732	6.6
295.70679	1.1
308.29465	69.9
309.29761	2.7
327.42517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90410	1.1
55.05527	6.2
56.05036	1.5
58.06597	1.9
59.05003	1.4
60.21350	1.1
66.04152	1.3
67.05505	17.0
69.07066	7.5
70.06596	7.4
70.77995	2.3
72.08114	1.3
74.06089	1.8
79.05499	6.9
80.94837	3.0
81.07052	10.5
91.05473	2.8
93.07039	4.9
95.08614	7.4
96.08126	1.8
98.09684	2.7
98.97578	1.8
104.10741	1.7
107.08632	2.8
109.10155	3.1
121.10157	1.7
135.11670	1.4
139.03941	2.1
150.71411	1.3
164.92021	1.4
262.03055	2.5
263.02728	1.8
290.28378	17.3
308.29462	100.0
309.29797	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	308.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.4
57.07084	4.1
58.06589	3.5
62.07104	3.6
67.05507	65.4
69.07075	10.8
69.53719	13.4
70.06583	20.9
79.05483	21.7
80.94872	11.4
81.07063	47.5
82.94534	3.9
83.08635	7.7
83.71014	3.3
91.05481	9.6
93.07037	20.3
95.05012	3.7
95.08613	34.6
105.07024	7.0
107.08615	13.4
109.10164	12.6
119.08568	3.6
121.10160	6.5
123.11659	5.4
135.11743	4.2
137.06000	31.3
147.50204	3.8
164.92073	11.9
165.12715	4.9
262.03198	10.9
263.02866	4.3
290.28403	95.4
291.19766	3.8
291.23282	12.0
291.28723	6.4
308.18790	6.8
308.25827	9.5
308.29391	100.0
309.29654	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	308.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
56.05060	1.1
58.06587	2.0
59.05010	8.8
60.05335	1.3
65.03905	1.0
67.05508	11.1
69.07062	5.1
70.06585	6.9
70.33841	2.0
74.06071	1.4
79.05488	6.1
80.94847	2.1
81.07056	10.7
83.08633	2.1
84.08156	1.1
87.23196	1.0
91.05435	2.1
93.07048	6.3
93.59154	0.8
95.08604	7.4
95.58092	0.9
98.09701	3.0
105.07066	1.5
107.08583	2.4
109.10150	1.5
110.09663	1.7
121.10168	2.2
131.08592	0.8
180.03120	0.9
260.00641	0.9
290.28415	17.9
308.29468	100.0
309.29715	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.69706	1.5
53.03934	2.6
55.01871	15.0
55.05254	2.8
55.05510	42.8
57.03426	6.0
57.07061	3.2
59.04990	2.6
60.38413	1.7
65.03942	1.8
66.41399	1.6
67.05160	2.5
67.05501	38.1
69.03411	5.3
69.07059	15.8
69.13305	1.5
70.95170	2.2
71.04983	4.8
71.08620	3.4
78.51973	1.5
79.05487	36.8
81.03418	9.1
81.07053	100.0
83.04516	2.6
83.04977	23.2
83.08616	26.9
83.68793	1.9
85.02884	7.2
91.05473	17.1
93.07047	29.5
95.04983	16.6
95.08617	15.4
97.06527	7.2
97.10168	50.8
99.04447	5.9
99.08072	2.3
105.04510	2.4
105.07018	12.1
107.04971	7.9
107.08595	27.4
109.06520	9.6
109.10152	10.9
111.04428	31.9
111.08074	15.9
117.06985	8.1
119.08575	22.1
121.06514	8.7
121.10158	13.4
123.08062	45.8
125.09631	41.8
129.06982	3.2
131.08575	10.3
133.10101	4.6
135.08054	8.0
135.11662	7.7
137.09628	4.3
139.11166	5.3
143.08525	4.4
145.10129	14.3
147.08055	11.3
147.11691	3.8
149.09618	4.4
149.13229	2.9
153.09073	9.5
153.12740	9.6
157.10114	3.7
161.09583	4.1
163.11180	21.8
164.16104	1.7
165.09081	5.3
165.12744	2.5
171.10187	4.2
173.09613	5.7
181.12204	17.1
189.11209	49.0
191.10640	16.6
193.12117	3.0
207.13606	1.7
209.11761	2.5
211.01541	1.6
223.13237	13.1
227.12761	12.6
249.14772	3.5
255.17307	2.7
273.18518	19.3
288.21988	1.8
291.19525	84.5
291.22620	3.2
292.19946	3.5
309.20563	21.0
309.24228	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	5.8
54.45510	1.4
55.01871	7.6
55.05256	3.5
55.05512	54.5
57.03435	11.6
59.04982	1.9
59.89011	1.6
65.03926	1.8
66.58467	1.7
67.05156	2.7
67.05503	39.8
69.03432	7.3
69.07081	15.7
70.51362	1.7
70.51666	1.9
71.04992	7.2
77.03926	3.6
79.05494	84.6
81.03419	15.4
81.07057	51.8
83.04971	7.7
83.08611	23.3
85.06553	8.1
91.05482	36.5
93.07045	100.0
95.04961	24.6
95.08611	27.7
97.06512	11.9
97.10169	37.1
97.10642	1.2
98.10514	1.6
99.08087	2.4
105.04536	4.2
105.07037	21.7
107.04932	14.3
107.08591	22.9
109.06529	16.6
109.10159	7.2
111.04472	2.5
111.08074	5.5
113.06006	24.3
117.07008	9.6
119.04951	2.2
119.08597	16.1
121.06506	5.9
121.10152	36.2
123.08074	27.4
123.11681	4.9
125.09644	42.2
125.10516	3.6
127.07639	1.7
129.07008	3.8
131.08582	11.4
133.06528	3.1
133.10126	13.4
135.08064	12.5
135.11731	8.5
137.09599	5.2
138.41809	1.6
143.08575	5.7
143.10663	2.1
145.06487	2.6
145.10110	9.1
147.08057	4.8
147.11662	5.4
149.09645	5.7
149.13263	1.8
153.09154	2.8
153.12730	2.0
157.10173	3.9
159.11676	7.1
161.09599	4.5
161.13347	1.8
163.11177	3.4
165.09090	3.8
167.10837	1.9
169.10098	1.8
169.12273	2.3
171.10248	2.9
171.11664	3.3
175.11243	2.4
177.12704	3.8
187.11180	3.6
189.11217	27.1
189.12801	3.1
193.12216	3.2
195.13812	3.8
199.14795	2.2
201.12747	1.7
205.12231	3.5
211.13354	2.2
215.94518	1.5
217.15883	6.6
221.15390	3.3
223.13274	12.3
227.17957	2.8
235.16986	3.2
241.14326	2.1
249.14937	3.2
255.17404	3.9
263.03116	2.1
273.18521	20.8
291.19531	53.2
291.24838	2.3
309.17099	3.0
309.20511	23.5
309.26080	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.87516	5.4
53.03946	21.4
53.93363	5.9
55.05516	10.4
55.78412	5.2
59.04985	5.8
63.26486	5.6
64.86166	4.9
67.05517	42.2
67.20058	4.9
69.07063	13.1
69.73475	4.9
70.03762	5.2
71.04999	12.0
79.05480	31.9
80.94837	8.2
81.03423	55.6
81.07055	49.5
83.08591	5.9
83.22974	5.7
85.06574	9.5
91.05489	23.6
93.07044	34.1
95.04977	25.6
95.08624	38.8
97.06534	9.0
98.98467	9.1
100.11265	7.9
105.07030	20.0
107.04954	23.9
107.08606	17.7
107.58328	5.8
109.06512	23.0
109.10165	8.8
117.07014	16.5
119.08634	9.5
121.06538	10.8
121.10088	7.4
123.08089	18.9
131.08592	19.8
133.10184	8.4
135.08061	19.7
135.11737	20.6
141.07037	7.5
145.06471	13.5
145.10095	8.0
147.11728	5.9
149.09634	6.6
149.13243	7.7
159.11687	16.2
169.10085	7.4
177.12724	13.4
187.11194	12.8
212.93443	6.9
217.15948	9.7
224.97156	6.1
241.14424	9.6
243.83032	5.5
263.02847	8.5
273.18536	21.5
291.19501	100.0
309.26071	21.2
310.21555	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	309.2061
Annotation	Albocycline
Peak:m/z	Relative Intensity
56.14403	6.8
57.03429	28.9
58.06602	100.0
67.05506	37.3
70.95092	10.6
71.69177	5.6
79.05499	17.2
80.94862	10.4
81.07047	10.2
82.94556	8.6
85.06541	33.7
91.05479	12.8
93.07034	17.2
95.04969	53.4
95.08617	11.2
98.98456	11.9
105.07052	9.1
107.08612	9.8
109.06540	27.5
113.06009	92.5
119.08598	9.3
121.44743	6.3
125.22603	5.0
128.10722	21.8
133.66830	6.5
135.08044	28.8
145.10072	8.2
155.01054	9.6
164.91896	5.9
217.15906	18.5
229.88397	6.6
263.03000	7.0
273.18539	13.4
274.19348	7.5
291.19540	48.4
309.20523	6.7
310.27393	51.2
331.59592	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01882	6.1
55.05515	4.4
57.03438	29.3
57.07067	1.0
67.05157	1.7
67.05503	22.8
67.16705	1.0
69.03416	1.3
69.07055	3.1
70.72913	1.2
71.04993	3.4
79.05491	10.9
81.07065	9.9
83.08632	1.6
85.06542	31.4
91.05477	9.4
93.07050	8.4
95.04965	33.2
95.08619	5.1
97.06541	1.6
105.07034	6.6
107.04938	2.1
107.08597	7.4
109.05759	1.7
109.06519	34.3
109.10159	1.3
109.92524	0.8
113.06006	100.0
114.06314	1.1
115.05424	0.8
117.06986	5.0
119.08572	3.3
121.06495	1.4
121.10155	1.7
123.08110	1.2
124.04121	0.9
129.07008	2.5
130.77821	0.8
131.08549	6.6
133.10127	3.4
135.08055	28.2
135.11668	3.3
136.08400	1.3
137.05972	8.6
138.06302	12.9
139.06496	14.6
140.06783	8.1
141.06891	1.1
143.08568	2.6
145.10107	4.5
147.08018	2.1
147.11690	1.0
149.09596	1.9
156.13635	0.8
157.10136	2.6
159.11714	1.9
161.09650	2.8
171.11740	1.4
173.13237	1.4
175.11198	1.4
183.11656	1.2
185.13248	1.2
195.13760	0.9
199.14793	1.5
201.12701	0.9
217.15831	9.7
219.13782	1.2
237.16278	1.0
245.18977	1.0
255.17456	1.6
273.18466	14.1
274.18927	0.8
291.19547	60.7
292.19751	4.3
309.20764	1.0
309.24280	1.0
309.29831	2.1
310.25308	2.0
310.30917	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.30982	1.0
53.03945	1.6
55.01870	10.5
55.05512	15.2
57.03427	4.6
57.07088	1.1
65.03946	1.9
67.05155	2.0
67.05502	25.1
69.03430	1.9
69.07087	5.5
71.04977	3.9
79.05494	26.0
81.03408	3.5
81.07057	56.5
83.04976	17.5
83.08625	9.0
85.02909	7.0
85.06560	2.6
87.69906	1.0
91.05486	13.3
93.07037	23.0
95.04967	13.7
95.08608	9.5
97.06538	5.5
97.10157	7.2
99.04469	2.3
99.08097	2.0
103.05434	2.7
104.04433	1.2
105.07015	10.0
107.04960	5.3
107.08575	13.6
109.06509	14.5
109.10181	6.0
111.04443	33.3
111.08087	8.4
115.05450	1.3
117.07024	8.8
118.71458	1.0
119.04914	1.3
119.08583	21.0
121.06512	8.2
121.10141	9.5
123.08059	7.4
125.09622	5.2
129.07016	4.4
131.08566	10.2
133.06563	1.3
133.10052	2.6
135.08018	8.5
135.11684	9.4
135.71266	1.1
137.09625	1.8
143.08585	3.4
145.10117	15.3
147.08055	11.1
147.11670	3.9
149.09619	5.0
153.12738	7.6
157.10120	2.9
159.08066	2.2
159.11700	4.1
161.09599	4.2
161.13206	1.3
163.11160	17.0
165.09131	3.6
171.11726	2.3
173.09639	2.3
175.11232	1.6
181.09930	1.2
181.12219	15.8
185.13222	2.0
189.11238	4.1
191.10680	13.3
209.11716	3.8
217.15910	1.7
223.13242	5.7
227.12738	8.9
227.17850	2.0
245.19164	1.5
249.14894	4.4
255.17400	2.9
273.18460	25.2
291.19537	100.0
292.19870	3.8
310.30923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03944	17.0
53.47228	1.3
55.01875	9.4
55.05507	6.6
57.03437	11.1
57.07077	1.3
65.03944	2.0
67.05505	42.8
69.03419	3.4
69.07053	4.9
70.00306	3.4
71.04990	12.5
79.05493	23.7
81.03421	53.1
81.03900	3.0
81.07057	49.8
83.04981	7.4
83.08600	4.1
84.79015	1.1
85.06541	9.7
91.05472	18.0
93.06448	1.6
93.07045	29.5
95.01316	1.6
95.04417	1.8
95.04970	22.3
95.08607	26.4
97.06508	4.6
99.08069	2.5
105.07025	13.8
107.04957	19.3
107.08583	12.8
109.06516	36.8
109.10147	2.7
111.08085	4.1
113.06005	24.2
115.05447	2.3
117.07011	13.4
119.04975	1.5
119.08553	7.2
121.06522	8.8
121.10146	4.9
123.04418	2.5
123.08067	22.1
129.06993	3.0
131.08566	14.6
133.10115	4.7
135.08047	24.2
135.11685	14.4
136.58607	1.1
141.06989	4.6
143.08577	4.4
145.06508	12.7
145.10136	5.9
147.11668	1.4
149.09601	3.4
149.13231	5.7
155.00972	1.6
157.10104	4.2
159.08064	3.5
159.11707	13.7
161.09618	4.5
163.11223	3.4
169.10094	7.5
173.13298	2.1
175.11301	1.4
177.12764	9.4
179.14380	1.8
183.90469	1.2
185.09654	1.5
187.11133	14.3
195.13773	7.5
199.14746	1.9
205.12260	4.2
217.15866	13.5
221.15350	4.1
223.13246	4.5
237.16379	1.5
241.14345	9.6
245.19011	1.6
255.17464	1.5
267.35315	1.2
273.18481	17.7
291.19543	100.0
292.19858	5.2
309.20428	10.6
309.23486	1.5
309.29691	1.5
310.09039	1.3
310.25189	1.9
310.31015	8.5
331.11493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01872	4.9
55.05516	7.4
55.70267	1.4
56.96564	2.9
57.03438	31.7
57.07081	2.1
58.89264	1.2
65.03942	1.7
66.91956	1.5
67.05505	32.5
69.03426	2.2
69.07076	7.2
69.21338	7.6
71.04982	4.2
79.05497	19.5
81.03391	1.9
81.07059	24.8
83.04996	3.2
83.08618	4.2
84.08163	1.9
85.06546	30.3
91.05474	14.6
92.80587	1.3
93.07045	18.1
95.04971	47.7
95.08605	12.8
95.54705	1.4
97.06539	4.7
97.10161	3.1
98.22630	3.1
98.98454	1.4
105.07037	11.2
107.04948	3.9
107.08614	11.5
109.06524	43.7
109.10157	4.7
111.04430	3.4
111.08089	1.8
113.06007	100.0
117.07030	5.1
119.08583	9.0
121.06532	2.6
121.10157	6.8
123.08046	3.9
123.11697	2.7
129.06996	4.4
131.08559	10.0
133.10135	8.6
135.08063	30.6
135.11708	5.5
137.09605	2.2
138.04945	1.4
143.08589	4.8
145.10135	6.9
147.04440	1.3
147.08118	1.6
147.11688	2.7
149.09647	4.1
149.13277	2.7
157.10123	4.0
159.11690	4.6
161.09645	5.6
163.11171	3.2
165.09109	2.1
171.11662	1.7
173.13232	1.9
175.11142	1.8
175.14799	1.6
177.12741	3.0
185.13237	2.0
188.99290	1.3
189.11258	2.2
189.12894	1.4
199.14839	4.3
201.12819	1.6
217.15881	15.4
219.13832	1.7
237.16664	1.5
245.64569	1.3
245.88260	1.2
255.17401	3.1
263.03156	1.7
263.20099	2.0
273.18436	19.5
286.10370	2.0
291.16193	2.8
291.19537	51.5
292.19897	3.0
309.16763	6.8
309.20428	5.4
309.26202	1.4
310.16855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.4
55.01865	2.0
55.05510	15.3
56.75920	0.9
57.03431	2.6
57.07071	3.4
57.38296	0.9
60.69751	0.8
65.03923	1.0
67.05504	36.8
67.05865	2.0
69.07068	13.6
69.53005	3.8
70.53678	0.9
71.04994	1.3
71.08630	45.2
72.08971	1.2
79.05495	32.3
80.41853	1.2
80.94837	2.8
81.03408	7.2
81.07054	40.2
81.53527	0.9
83.04988	11.5
83.08619	8.4
85.06551	2.7
90.20701	1.0
91.05478	20.6
93.07043	52.2
94.07375	1.7
95.04962	8.6
95.08604	29.5
96.08958	1.1
96.99844	1.0
97.06526	7.9
97.10165	2.4
99.08090	39.3
100.08421	1.1
105.04524	1.2
105.07019	14.4
107.04948	5.5
107.08594	24.4
107.96696	1.1
109.06518	2.7
109.10155	10.5
111.08072	2.3
113.09637	1.6
117.07053	2.1
119.08559	10.2
121.06538	1.2
121.10148	24.4
123.08077	2.0
123.11713	2.5
127.11216	1.5
129.06967	2.6
131.08559	3.5
133.10136	9.6
134.74458	0.9
135.11685	32.7
137.09587	3.4
139.07524	1.3
139.11139	1.7
141.09096	2.5
141.12744	1.2
143.08542	1.5
145.10121	3.5
147.11720	5.0
149.13228	9.5
150.48729	1.1
151.11183	16.1
153.12747	2.8
157.10022	1.1
157.56561	1.0
159.11682	3.7
161.13272	9.3
163.11208	6.1
163.14772	1.7
164.92039	1.6
167.10643	2.8
171.11725	1.2
175.14897	1.0
177.12726	3.6
179.14305	100.0
180.14629	3.7
189.12766	2.0
194.31433	1.0
195.13863	3.0
199.14793	1.2
221.15395	3.2
235.16891	3.6
241.19565	2.5
249.52277	1.0
259.20609	4.9
277.21631	48.8
278.21942	3.7
302.90649	1.2
309.24246	4.2
310.27756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.7
55.01884	7.9
55.05521	21.2
57.03432	3.1
57.07073	6.5
59.14302	2.9
67.05503	46.2
69.07070	29.4
71.04989	6.7
71.08614	4.3
79.05494	29.2
81.03419	52.0
81.07055	44.3
83.04980	12.9
83.08628	10.4
91.05483	20.8
93.07037	26.7
94.86127	3.1
95.04969	32.6
95.08597	20.3
97.06548	3.4
97.10170	9.8
98.83249	3.2
99.08063	6.4
105.07021	20.0
107.08599	18.7
109.06522	12.4
109.10145	16.2
111.08091	3.2
119.08580	11.9
121.10167	10.2
123.08141	4.6
123.11682	5.5
125.09640	11.4
131.08572	4.3
133.10135	18.2
135.08038	4.8
135.11673	9.4
145.10112	3.8
147.11688	15.6
149.13242	6.1
151.11165	32.1
153.09102	6.1
157.10052	3.7
161.13261	8.5
163.14810	4.4
165.12749	9.4
175.14839	3.1
179.14313	10.1
189.12816	3.4
192.27592	3.3
203.12782	9.6
207.13708	5.1
231.21133	9.9
241.19608	7.4
249.22171	3.3
259.20615	8.1
277.21628	100.0
278.22098	4.7
286.11752	4.0
293.49075	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	310.2012
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.75928	0.2
55.05501	0.2
56.05036	1.0
58.06598	100.0
58.54507	0.2
59.06944	0.9
70.27634	0.3
72.06678	0.2
73.05302	0.6
76.35336	0.2
79.05497	0.3
84.08164	0.3
85.06488	0.3
88.07626	1.8
91.05507	0.2
98.97543	0.2
100.11263	0.3
106.35957	0.2
118.08644	2.2
128.10727	0.3
131.06773	0.2
165.46820	0.2
212.61665	0.2
310.20081	25.7
311.20316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
55.09962	0.4
58.06613	0.5
59.10535	0.4
66.99585	0.4
69.07074	0.6
70.06593	1.4
72.08105	0.6
74.70820	0.4
79.05491	1.7
79.34497	0.4
81.07046	0.8
82.06584	1.7
84.08131	0.8
89.91077	0.4
91.05459	1.0
93.07043	1.4
93.35692	0.4
94.06525	0.6
95.07317	0.6
95.08640	0.4
97.06516	3.5
103.05474	0.7
108.08096	2.2
110.09679	22.9
111.10020	0.6
111.62682	0.4
121.06473	0.5
122.09684	1.0
126.09161	0.9
128.10716	100.0
129.11081	1.9
131.04951	1.2
140.10690	0.9
149.05952	0.9
156.65030	0.4
182.11783	0.7
192.49533	0.5
258.22198	0.4
278.08978	0.5
292.19019	0.5
292.22638	0.7
310.20111	39.3
310.23770	11.7
311.05325	3.2
311.20444	2.4
311.23792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2741
Annotation	Dicyclomine
Peak:m/z	Relative Intensity
56.05032	1.1
57.07071	0.1
58.06600	100.0
59.06929	0.6
67.05498	0.2
70.06598	0.1
70.36892	0.2
73.05293	0.8
88.07632	1.4
96.08173	0.3
97.06528	0.2
110.09718	0.1
118.08646	1.4
121.10114	0.1
128.10721	0.7
292.22723	0.1
292.26468	0.2
310.27386	23.4
311.27875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05303	0.1
55.05517	1.3
56.05033	1.3
58.06606	0.5
61.01910	0.2
67.05504	0.8
68.05030	1.3
69.07070	0.7
70.06596	1.6
71.05013	0.5
71.13661	0.2
72.08170	0.2
79.05491	0.9
81.07052	2.2
82.06585	2.5
83.08616	0.6
84.08153	1.5
85.06525	0.2
91.05498	0.5
93.07043	1.5
94.06575	0.6
95.07351	1.9
95.08603	0.3
107.08582	0.2
108.08128	3.5
108.23859	0.2
110.09686	30.7
111.10023	0.4
126.12765	0.4
128.10724	100.0
129.11060	1.9
140.82814	0.2
194.49590	0.2
195.03009	0.2
199.09598	0.2
221.75151	0.2
292.26331	1.5
293.26743	0.2
310.27408	62.4
311.27765	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	310.2742
Annotation	Dicyclomine
Peak:m/z	Relative Intensity
50.02363	0.2
55.05503	0.7
56.05034	0.9
57.07059	0.2
58.06597	0.5
67.05485	0.4
68.05039	0.3
69.07068	0.7
70.06596	1.2
70.23359	0.4
71.04981	0.3
72.08187	0.2
79.05513	0.9
81.07066	1.1
82.06583	1.6
83.08591	0.2
84.08143	1.1
91.05488	0.3
93.07031	0.9
94.06591	0.4
95.04947	0.2
95.07352	0.9
97.06531	3.0
98.22761	0.2
108.08134	1.7
110.09676	18.3
111.10011	0.6
116.98589	0.2
128.10713	100.0
129.11079	1.9
162.37375	0.2
162.75298	0.2
292.26355	0.4
310.27380	43.1
311.27676	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	310.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01868	0.5
55.05260	0.8
55.05511	9.6
56.05033	1.0
56.96578	0.5
57.03436	2.1
57.07063	0.6
58.02970	0.9
58.06600	4.7
67.05504	17.6
68.05014	0.4
68.05830	0.6
69.07068	6.6
70.06579	1.8
71.04987	0.9
71.08620	0.7
72.08154	5.7
79.05486	6.5
80.94852	0.6
81.03427	5.3
81.07055	16.2
82.06580	1.3
82.07360	0.6
83.04975	1.3
83.08624	6.6
84.08140	25.7
85.06546	2.6
88.07603	0.5
91.05495	2.4
93.07040	9.2
95.04968	1.1
95.08600	5.0
96.08135	0.9
97.06528	4.0
97.10171	1.8
99.08107	1.5
99.29710	0.4
100.59025	0.5
105.07040	1.1
106.67918	0.4
107.08599	5.8
108.08119	1.2
109.06488	1.1
109.10150	1.1
110.09681	9.9
110.10436	0.6
111.08063	0.9
114.09173	3.6
117.07003	0.7
119.08617	1.1
121.06488	1.4
121.10146	2.7
126.12771	1.1
128.10713	33.9
129.11089	0.7
129.12068	0.5
135.11722	0.6
149.13266	4.9
154.95880	0.4
261.22299	1.0
292.26370	8.2
293.20874	0.7
310.27393	100.0
311.27679	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	310.3107
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05501	14.1
56.69271	2.9
57.07071	8.8
67.05505	19.4
67.05824	3.0
69.07064	12.3
70.06581	12.3
72.04539	2.8
79.05483	5.0
80.94847	10.8
81.07056	26.2
82.94562	5.6
83.08595	4.9
85.53938	2.9
93.07056	5.8
95.08595	19.0
102.61602	3.7
107.08590	5.5
107.96677	3.7
109.10146	10.0
111.04448	4.1
113.36905	2.9
121.10149	3.2
125.05953	5.2
135.11674	4.8
137.46660	2.9
164.92056	9.6
177.09137	4.2
209.11775	24.1
234.51234	3.4
237.11235	15.8
255.12294	4.4
292.29996	100.0
293.30457	3.9
310.31006	74.0
311.31409	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98779	1.0
55.74730	0.9
65.17091	0.9
70.37043	2.7
110.09689	3.3
126.09180	4.9
128.10698	12.2
129.11082	3.4
156.70052	0.9
161.02216	1.1
165.27725	1.0
173.02089	9.9
191.08449	1.0
209.95204	1.0
310.20200	6.0
311.05249	100.0
311.14624	3.4
311.20456	3.3
312.05728	3.5
312.21600	1.7
324.07495	1.0
329.06363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
58.01215	0.3
67.05494	0.4
69.07062	0.5
69.64012	0.9
69.64403	0.8
77.49266	0.3
79.05507	0.5
81.07044	0.9
83.17159	0.4
95.08609	0.6
121.10133	0.4
125.10950	0.4
176.04723	0.5
202.31476	0.4
204.00647	0.4
261.61191	0.4
311.18265	100.0
312.18680	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.23701	2.3
55.01868	27.4
55.05511	46.7
57.03422	8.3
57.07066	5.9
60.48370	2.6
62.48581	2.5
63.35319	2.5
67.05501	62.2
69.03412	6.8
69.06750	3.8
69.07063	33.8
69.54467	4.6
69.54867	9.1
70.06578	3.4
71.04992	13.1
71.08630	5.8
74.81930	2.4
79.05489	70.9
80.13907	2.4
81.03413	7.6
81.07052	92.7
83.04980	34.8
83.08621	30.4
85.06536	6.3
87.04475	3.6
91.05473	51.6
91.27135	2.6
93.07048	56.4
95.04966	18.8
95.08604	45.8
95.09191	2.0
96.08124	3.3
97.06518	33.7
97.10164	31.2
98.23589	3.2
99.04446	11.4
99.08078	10.8
105.07024	50.7
107.04945	4.8
107.08590	93.3
109.06499	13.1
109.10129	22.9
111.04446	5.6
111.08052	8.4
111.26936	2.7
113.05987	11.3
114.09116	4.3
116.10739	8.7
117.07016	12.7
117.30831	2.6
119.08579	31.0
121.06474	5.6
121.10151	21.6
123.01955	3.1
123.08070	8.4
125.05974	6.9
125.09631	64.2
127.07533	5.9
129.07028	4.2
130.08632	3.2
131.08527	16.7
133.10127	26.1
135.08023	8.3
135.11710	15.2
137.09564	4.2
139.11183	7.5
141.06969	2.4
143.08521	3.3
145.10097	20.3
147.08043	5.5
147.11676	19.0
149.09601	15.3
149.13269	3.9
151.11171	4.7
153.08987	3.1
153.12704	14.5
155.08574	3.0
157.10123	5.5
159.11705	9.9
161.13248	5.6
163.11211	12.5
167.10695	5.1
169.10095	3.5
169.12231	3.6
171.11752	4.2
173.13223	7.4
175.11185	3.5
175.14934	2.7
177.12704	7.6
178.08463	2.5
181.12196	8.1
183.11580	3.6
183.37831	2.4
185.13246	3.7
187.11180	5.6
187.14848	3.6
189.11232	27.9
189.12743	4.1
193.12260	3.0
195.13721	4.3
196.16907	4.3
197.13196	3.4
205.12206	5.8
211.13226	5.1
214.17999	54.7
221.15315	3.2
223.13348	9.4
229.19456	5.3
235.16966	5.0
239.18027	3.4
247.20523	7.0
257.19043	10.2
269.13675	3.7
275.20059	100.0
276.20380	7.0
293.21088	61.6
311.18182	4.8
311.22177	7.4
312.25186	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03954	4.0
55.01873	49.3
55.05511	48.0
57.03432	6.9
57.07081	2.9
57.99996	2.6
60.64873	2.5
61.20477	2.1
61.37860	2.7
62.89480	2.2
67.05505	43.0
69.03423	3.3
69.07072	23.2
70.69390	3.1
71.04993	17.6
79.05039	4.1
79.05495	60.4
80.05837	2.7
81.03387	3.8
81.07062	61.1
83.04980	44.4
83.08625	32.7
85.06561	3.8
91.05484	33.1
93.07048	41.4
95.04966	19.1
95.08598	29.8
97.06535	56.5
97.10172	36.1
99.08110	4.1
105.07030	27.1
106.53910	2.3
107.04946	6.7
107.08595	94.7
109.06520	9.6
109.10149	12.3
111.04449	7.1
111.08090	9.5
113.06024	16.7
117.07022	11.9
119.08588	16.9
121.06506	7.1
121.10140	15.1
123.08037	5.9
123.11724	3.0
125.05994	9.1
125.09634	87.6
129.06967	3.7
129.59741	3.0
131.08560	13.9
133.10165	14.7
135.08060	7.3
135.11646	12.3
137.09531	3.4
139.11179	11.4
143.08559	3.5
145.10135	14.2
147.11656	12.5
149.09599	11.0
149.13216	4.5
153.12743	14.0
159.11682	10.9
161.13271	6.6
163.11154	12.5
167.09424	2.7
167.10716	9.8
169.10124	3.2
171.10184	4.0
173.13281	2.7
177.12730	11.9
181.12207	8.4
181.13771	2.6
187.11174	6.3
189.11221	30.3
189.12807	3.7
191.10518	2.5
195.13795	4.0
196.63347	2.4
205.12212	13.6
211.13147	3.8
213.14780	8.1
216.27928	2.8
219.17332	2.7
223.13268	15.1
229.19466	4.5
233.15315	2.8
241.14391	5.3
251.16475	3.7
257.18997	7.4
275.20078	99.7
276.20355	7.2
293.21094	100.0
294.21304	5.0
311.21976	6.9
312.24908	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.70120	2.4
53.03938	3.4
55.01867	5.4
55.05519	19.9
57.03434	4.6
57.07058	2.6
58.99421	2.7
65.03939	2.8
67.05501	35.5
69.07063	24.0
69.20512	15.4
71.05006	2.7
79.05492	19.5
81.07056	54.4
81.53071	2.9
83.05002	2.9
83.08624	14.4
85.06536	6.2
91.05470	22.9
93.07040	28.1
95.04971	9.8
95.08612	29.4
97.06536	7.9
97.10155	8.1
98.98476	10.7
99.08128	3.6
105.07037	23.6
107.04939	4.2
107.08598	25.1
109.06503	5.4
109.10143	19.1
111.08132	3.7
111.11732	4.3
114.09180	3.9
117.06990	6.4
119.08590	23.1
121.06522	3.3
121.10138	19.4
123.08097	6.2
123.11720	5.8
125.09642	4.9
128.10730	5.9
131.08571	9.5
133.10150	16.1
135.08087	3.6
135.11684	10.2
137.09615	5.2
137.13312	2.8
143.08534	4.0
145.10114	12.9
147.08017	3.0
147.11685	10.3
149.09631	10.9
149.13245	3.4
153.12813	4.5
157.10158	3.0
159.11684	8.1
161.13280	3.8
163.11195	6.3
169.10109	4.6
171.11617	4.2
173.09459	2.7
173.13330	5.7
176.98894	3.0
183.11597	3.7
233.19055	2.7
235.16872	4.9
239.17966	6.3
257.18948	7.6
265.21487	3.0
269.09561	3.2
275.20065	56.3
276.20456	4.3
277.64041	2.7
287.86432	2.9
293.21103	8.7
294.24356	3.4
311.10901	5.1
311.14633	100.0
311.17905	11.8
311.29343	3.4
312.15051	3.9
312.18170	3.7
312.25333	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.21791	1.2
53.03940	2.3
54.27227	1.2
55.01870	6.9
55.05513	24.8
57.03440	3.2
57.07071	3.0
58.42529	1.1
65.03923	2.4
67.05503	56.7
68.05801	1.7
68.69564	1.2
69.03420	3.9
69.07069	26.8
69.59187	4.2
70.06617	1.2
71.04996	3.7
72.08179	1.4
75.46485	1.3
77.03921	1.3
79.05490	37.1
81.03439	1.8
81.07056	71.9
82.07400	1.5
83.04977	8.0
83.08614	15.4
85.06550	4.6
91.05482	33.3
93.07045	39.0
94.07381	1.7
95.04967	10.6
95.08602	46.1
97.06522	7.0
97.10176	10.2
99.08082	2.6
105.04515	1.4
105.07027	39.1
105.07739	2.2
107.04965	6.0
107.08585	30.3
109.06529	10.2
109.10154	24.8
111.04449	1.3
111.08080	5.4
111.11706	2.9
113.05917	1.2
115.05522	1.3
117.07010	12.0
119.08583	31.6
121.06506	3.6
121.10135	18.3
123.08064	9.9
123.11699	7.7
125.09644	7.4
129.07013	4.2
131.08565	15.4
133.06470	1.8
133.10129	32.8
135.08066	5.6
135.11711	10.0
137.09608	6.3
137.13274	1.8
139.11163	2.0
143.08586	3.3
145.10124	16.9
147.08034	2.0
147.11671	16.2
149.09622	11.6
149.13243	6.3
151.11177	2.9
153.12750	1.4
155.10643	2.2
157.10138	4.9
159.11676	12.3
161.09663	2.2
161.13269	6.6
163.11189	9.6
165.12747	3.1
167.10674	1.4
169.10135	2.0
171.11696	4.3
173.11743	5.4
173.13280	9.5
175.11237	3.0
177.12743	5.5
183.11707	3.4
185.13206	1.8
187.11234	1.5
187.14886	1.8
189.11205	3.7
191.14346	2.2
193.12303	1.9
195.13818	5.1
197.13278	3.4
199.14931	1.7
201.12711	1.7
210.72147	1.2
213.16351	1.9
215.14323	1.3
215.18053	1.4
229.19586	4.1
231.17491	1.3
233.19099	1.7
235.16994	3.0
237.18472	1.6
239.18019	6.3
247.20659	4.3
249.18562	2.0
257.18991	12.4
265.21646	1.9
275.20059	100.0
276.20435	7.3
293.21039	18.2
294.24219	3.1
311.14597	8.4
311.18384	4.4
311.29355	1.4
312.18451	2.1
312.25296	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03954	1.7
53.84148	1.5
55.01619	3.6
55.01873	49.0
55.05514	24.4
57.03439	7.2
57.07077	14.4
58.06597	2.4
64.56345	1.9
67.05499	28.2
69.03439	3.6
69.07076	27.9
69.48939	3.3
69.49292	5.6
71.04987	14.1
71.08643	2.7
79.05496	28.4
81.03467	2.0
81.07052	32.5
83.04986	46.4
83.08616	11.3
84.05370	1.7
84.08135	5.5
85.02883	2.1
85.06532	4.1
91.05481	13.4
93.01894	1.7
93.07049	29.9
95.04971	10.5
95.08602	23.2
97.06530	73.6
97.10184	12.7
99.08100	5.8
105.07033	13.7
105.82614	1.6
107.04986	3.8
107.08598	35.7
109.06522	5.4
109.10130	11.1
110.09702	2.3
111.04429	9.6
111.08097	8.2
113.06007	23.2
113.09646	2.3
114.83022	1.7
117.07019	6.0
119.08599	9.7
121.06518	4.3
121.10134	11.3
123.08037	2.9
123.11742	3.0
125.05989	10.5
125.09642	50.0
127.07569	3.0
128.10701	8.0
131.08574	8.3
132.17307	1.5
133.10106	6.5
135.11700	11.9
137.09613	3.6
139.07655	1.5
139.11157	15.9
145.10133	10.1
147.11714	4.2
149.09645	9.3
149.13315	2.7
151.11116	2.4
153.05479	4.9
153.12721	10.3
157.10197	1.9
159.11702	9.7
161.09631	2.3
161.13194	3.1
163.11174	16.4
165.86368	1.6
167.10678	16.0
169.12209	3.5
173.13264	4.0
175.11325	1.8
177.12744	8.1
181.12189	5.0
183.11684	1.7
187.11191	3.3
189.11197	13.3
189.12700	1.9
195.13884	3.0
201.12773	2.4
205.12180	4.0
209.11726	24.0
213.14798	2.5
220.20181	1.6
229.19551	2.2
237.11266	23.1
237.14954	4.7
238.11586	2.4
241.14375	3.5
247.20647	2.6
251.16475	5.4
255.12276	7.6
257.19028	4.7
264.97842	1.7
275.20065	51.0
276.20490	1.9
293.21106	100.0
294.21518	4.5
311.22250	4.2
311.25540	2.9
311.31293	9.4
312.28955	23.4
315.67313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03930	4.9
55.01878	28.4
55.05513	32.2
57.03431	7.1
57.07075	34.1
67.05508	63.1
69.03419	3.6
69.07073	32.0
70.04073	6.3
71.04989	12.0
71.08623	3.9
72.08178	2.4
73.02892	2.4
76.25435	2.6
79.05498	43.8
81.03413	3.7
81.07058	100.0
82.07386	3.0
83.04984	23.1
83.08619	18.5
84.08137	7.6
84.14890	2.9
85.06545	6.2
91.05473	38.0
93.07040	41.7
95.04971	18.3
95.08611	45.3
97.06532	41.4
97.10160	13.5
99.08126	5.2
105.07026	40.4
107.04950	10.8
107.08595	33.8
109.06516	32.0
109.10133	14.2
110.09688	3.5
111.04446	7.5
111.08063	9.1
113.06023	14.4
114.27867	2.8
117.07018	8.3
119.07836	3.4
119.08596	28.0
121.06516	7.7
121.10138	18.2
122.04577	2.5
123.08056	11.3
123.11706	7.3
125.05998	6.3
125.09631	34.3
128.10719	11.7
129.07010	3.9
131.08545	14.8
133.10112	19.2
134.10541	3.3
135.08026	6.4
135.11700	10.1
137.09602	6.1
139.11201	7.2
143.08563	3.4
145.10101	15.3
147.11694	23.7
149.09599	17.4
149.13257	7.3
151.03862	7.7
151.11140	4.6
153.05487	7.5
153.12737	11.6
157.10121	3.5
159.11685	11.3
161.09615	5.0
161.13248	5.4
163.11163	16.3
165.12753	4.9
167.10632	5.3
169.10100	4.1
173.09669	5.0
173.13226	5.1
173.38367	2.9
175.11201	4.5
177.12758	8.7
179.39674	2.7
181.04849	6.4
181.12234	9.2
182.77724	2.5
187.11179	5.8
189.11198	9.4
191.10641	9.4
195.13824	6.8
197.13309	3.2
199.06062	12.8
203.48265	2.7
205.12198	5.5
207.13626	2.7
209.11746	47.3
219.10080	3.7
219.17447	4.6
223.13228	3.8
229.19640	4.4
237.11217	36.6
239.18147	5.6
241.14380	4.6
247.20476	5.1
255.12248	15.8
257.19012	11.6
265.17990	17.9
275.20081	93.4
276.20416	5.8
293.17795	5.3
293.21106	68.8
294.27722	3.9
311.15146	4.6
311.18607	6.3
311.25632	3.7
311.31244	7.3
312.29004	37.8
312.32388	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03933	1.9
55.01873	14.5
55.05511	57.6
57.03441	3.9
57.07072	5.4
58.06554	1.2
65.03924	1.7
67.05505	35.5
68.05827	1.1
69.03426	3.2
69.07067	19.8
71.04984	7.1
71.08607	1.9
77.03934	1.9
79.05492	37.2
81.03009	1.1
81.03403	6.1
81.07056	34.7
83.04987	23.6
83.08619	38.2
85.02910	8.2
85.06532	1.8
91.05482	20.4
93.07043	36.9
95.04967	89.3
95.08609	20.6
97.06533	9.0
97.10167	24.7
97.10747	2.3
98.23421	3.4
99.04453	7.8
99.08118	2.6
101.50956	1.2
105.07024	21.2
107.04963	10.2
107.08593	48.6
109.06541	8.9
109.10160	11.4
111.04446	44.3
111.08086	14.0
113.61961	1.4
117.06993	7.7
119.08594	14.8
121.06501	5.4
121.10149	22.5
123.08049	6.1
123.11689	3.2
125.05970	2.7
125.09631	31.1
128.10744	2.1
129.07011	4.1
131.08575	15.0
133.10133	13.1
135.08073	7.0
135.11697	13.1
137.09610	2.0
137.41350	1.3
139.11191	3.2
141.07033	1.5
141.82758	1.1
143.08591	2.8
143.10663	2.1
145.10118	23.2
147.08058	5.4
147.11691	9.9
149.09616	41.9
149.10828	2.1
149.13295	1.4
151.11212	1.7
153.09134	4.1
153.12730	6.2
157.10143	2.8
159.11702	8.4
161.09718	1.4
161.13211	2.8
163.11180	36.0
164.11662	1.3
165.12817	1.7
169.10143	1.8
171.10182	3.0
172.01462	1.3
173.09686	1.8
173.11739	1.7
173.13165	2.3
175.11148	1.5
177.12819	2.8
181.12241	12.1
187.11182	4.1
189.11223	31.2
189.12816	2.2
191.10658	8.2
193.12230	2.0
197.13350	1.3
205.12209	8.8
209.11684	10.5
211.13315	3.5
223.13287	97.3
224.13605	5.2
227.12772	2.2
229.14345	2.2
229.19572	2.6
237.11197	9.2
237.14836	2.7
239.17958	4.1
247.20566	2.0
255.12312	2.7
257.19016	11.7
275.20059	87.3
276.20380	5.2
293.21085	100.0
294.21445	5.6
311.22055	19.0
311.25266	1.9
311.31250	4.3
312.28915	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03948	2.6
55.01874	30.0
55.05257	3.6
55.05510	49.5
57.03421	4.4
59.04987	2.0
67.05164	2.8
67.05503	43.3
69.03429	4.8
69.07066	22.9
69.77834	6.7
71.04988	12.9
78.96035	1.9
79.05040	3.2
79.05489	59.4
81.03408	6.3
81.07054	77.3
82.07375	2.9
83.04974	37.5
83.08176	3.3
83.08621	32.2
85.02893	2.3
85.06542	4.2
87.04461	3.0
91.04945	2.4
91.05479	31.5
93.07043	40.8
95.04969	16.7
95.08604	34.4
97.06524	41.4
97.10163	39.7
99.04444	2.2
99.08073	4.0
105.07018	29.8
107.04948	5.6
107.08591	100.0
109.06518	8.3
109.10166	17.0
111.04436	4.3
111.08065	8.7
113.05997	12.4
117.07016	10.3
119.08588	18.9
121.06511	4.8
121.10139	14.7
123.08027	4.7
123.11690	5.5
125.05978	6.9
125.09633	80.0
131.08572	14.7
133.10150	16.5
135.08049	7.7
135.11707	13.4
139.11172	6.5
143.08701	2.4
145.10121	15.5
147.11685	11.1
149.09619	11.0
149.13213	2.6
153.09081	3.4
153.12755	18.8
157.10121	3.3
159.07986	2.2
159.11653	9.9
161.09499	2.7
161.13228	5.0
163.02058	2.3
163.11171	15.6
167.10680	8.7
169.10086	3.8
171.10245	3.6
171.11665	3.8
173.11786	4.1
173.13248	4.0
177.12756	8.9
181.12209	10.6
187.11180	4.1
187.13351	2.0
189.09593	1.5
189.11206	41.0
191.03920	2.3
191.10753	2.4
193.12260	4.2
195.13719	3.4
205.12268	7.7
211.13269	8.7
213.14816	6.7
219.17578	2.2
223.13277	19.2
229.19487	3.7
235.16849	2.0
239.18047	4.1
241.14331	5.1
251.16486	4.4
257.19019	8.7
275.20062	92.0
276.20425	4.1
293.21078	76.6
294.21341	4.4
307.44803	2.3
311.22119	8.0
312.25055	6.5
321.22861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01876	8.6
55.05510	35.6
57.07056	2.2
59.04998	1.6
67.05504	16.8
69.03423	4.1
69.07069	7.8
69.74899	2.7
69.75241	1.5
71.04963	1.1
71.08611	1.8
75.33758	1.0
79.05496	17.3
81.03416	3.9
81.07058	19.6
83.04979	11.5
83.08614	23.5
84.08952	1.2
85.02898	2.0
85.70691	1.1
87.04503	1.1
89.83911	1.2
91.05485	5.7
93.07050	11.6
95.04968	23.8
95.08609	6.0
97.06541	4.3
97.10171	30.4
99.04427	2.8
99.08092	2.5
105.07024	6.4
107.04942	4.2
107.08590	16.1
109.06511	4.4
109.10169	5.6
111.04446	16.6
111.08083	5.1
116.05083	1.1
117.07014	3.2
117.35004	1.2
119.08575	4.2
121.06528	2.7
121.10153	4.9
122.52252	1.3
123.08067	1.8
125.09625	29.4
131.08575	3.5
133.10139	3.5
135.08081	2.0
135.11696	5.9
139.11128	1.8
145.10133	6.1
147.08049	1.8
147.11639	2.4
149.09621	7.4
151.51157	1.3
153.09081	15.5
153.12701	2.4
159.11728	1.8
163.11186	10.3
165.12788	4.0
167.10674	3.2
171.10165	7.9
173.09645	1.5
175.11092	2.0
181.12256	3.9
187.11171	2.5
189.11215	30.7
189.12823	2.2
190.11400	1.4
191.10658	4.3
193.12268	2.3
195.13875	1.3
209.11879	1.6
211.13260	1.6
223.13297	14.4
227.12828	2.1
242.26477	1.2
247.20616	3.6
257.19025	1.8
259.73987	1.3
275.20090	13.8
292.19699	1.4
293.21097	100.0
294.21451	7.5
311.22122	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.31625	0.4
55.01866	0.6
55.05512	47.4
56.05827	0.7
57.03440	19.9
57.03726	1.0
57.07077	21.8
67.05499	8.2
69.07067	51.2
69.31751	2.5
70.07401	0.6
71.04967	0.5
71.08271	1.0
71.08631	13.4
73.06537	0.6
79.05482	4.7
81.07053	10.7
83.04968	1.5
83.08620	41.7
84.08953	0.8
85.10184	5.2
90.23585	0.5
91.05482	1.0
93.07040	4.8
95.08609	7.6
96.86299	0.5
97.06542	4.4
97.10170	31.8
98.10497	0.5
99.08090	0.5
107.08587	3.9
109.10138	3.1
111.08083	2.0
111.11705	9.6
121.10150	6.2
123.11707	1.3
125.09626	2.0
125.13266	2.4
135.11684	4.1
137.13254	1.5
139.11151	1.0
139.14835	0.8
149.13303	2.2
153.12753	0.9
163.14815	0.5
177.16353	0.7
219.21124	1.8
237.11319	0.6
237.22069	1.1
273.38058	0.5
293.30261	1.5
294.31625	0.8
311.25790	100.0
312.26193	5.9
312.32306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.92025	0.5
53.03933	0.9
55.01871	1.1
55.05512	46.3
56.05837	0.7
56.17720	0.5
57.03438	18.9
57.07076	24.5
59.04987	0.6
65.47300	0.6
66.07500	0.6
66.47940	0.5
67.05502	6.7
69.07068	52.0
69.26711	1.3
69.27110	2.0
71.08632	15.0
73.02927	0.5
73.06554	1.0
79.05492	4.4
81.07054	9.7
81.93962	0.6
83.04979	1.4
83.08620	43.3
84.08961	1.0
85.06508	0.9
85.10171	5.0
91.05467	0.7
93.07033	5.3
95.04944	0.5
95.08611	6.3
97.06526	4.8
97.10169	30.2
98.10502	0.6
99.42861	0.6
106.64939	0.5
107.08603	4.4
109.10159	2.4
111.08092	1.8
111.11715	8.7
119.56023	0.6
119.80093	0.6
121.10150	4.4
123.11699	1.7
125.09637	1.0
125.13253	2.5
132.94318	0.6
135.11691	5.1
137.13228	1.5
139.11172	1.1
139.14803	0.6
149.13258	2.2
150.51035	0.5
188.89197	0.6
192.27284	0.5
219.21046	1.6
237.22060	1.1
311.25784	100.0
312.26175	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	312.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52092	2.4
56.05040	4.0
56.96568	3.9
59.04996	3.4
69.07072	38.0
70.06597	100.0
72.08151	8.1
73.06559	16.0
75.40957	2.9
83.97639	2.4
84.04579	2.2
84.08136	6.5
85.02905	7.8
86.09715	4.6
87.08091	2.3
91.05477	4.0
95.05087	2.4
97.06516	11.0
98.97600	3.3
110.07161	17.8
115.07578	80.1
116.07087	8.6
116.98583	2.3
120.08097	3.2
133.08623	26.1
136.07623	3.0
138.02315	2.3
163.04002	2.5
169.13353	20.5
197.09305	3.8
197.12878	10.9
199.06892	3.3
213.12318	14.4
215.14041	2.7
234.99606	2.6
252.16046	2.5
270.91559	3.1
312.05081	12.5
312.12601	48.9
312.21643	10.1
313.09091	4.0
330.13306	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	312.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01867	3.9
55.05513	1.9
56.05051	1.0
56.65445	1.1
57.03428	6.2
57.45265	0.9
58.06591	1.8
59.04988	1.6
61.02932	11.7
62.42132	1.0
67.05490	1.7
69.03436	17.7
69.07069	18.8
70.06590	10.3
71.04985	2.7
72.08163	2.1
73.02924	5.4
73.06558	2.6
81.03416	8.8
82.06590	1.2
84.08136	3.3
85.02910	100.0
86.03213	1.3
86.09695	3.1
87.04476	2.8
87.08112	21.9
88.37212	1.0
91.03963	6.4
93.07055	2.2
96.08123	1.9
97.02898	25.9
97.06541	1.8
98.06091	1.1
99.04453	4.7
101.02397	1.2
105.09119	1.7
109.02879	5.3
110.07153	3.3
110.09663	2.1
114.09187	4.2
115.07569	14.2
123.39325	1.2
124.07488	1.3
127.03923	23.7
128.10707	4.9
133.08632	9.1
136.07600	1.1
145.04964	49.6
163.06029	14.1
181.04808	1.3
185.04027	1.0
186.42007	1.0
223.07538	2.8
233.05940	1.4
249.05495	1.6
251.06963	2.9
294.17599	1.5
294.20639	4.8
295.05981	1.3
312.18030	17.7
312.21719	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.03435	1.0
57.07074	2.6
57.23529	0.5
67.05509	7.8
68.05008	0.8
69.03417	1.9
69.07072	7.8
69.25579	2.8
70.06580	2.3
71.04984	0.7
71.08628	0.8
72.04506	0.5
75.13306	0.5
75.80738	0.4
79.05499	4.6
81.07056	63.6
82.06562	0.7
82.07375	1.6
83.04948	0.5
83.08624	1.1
84.04505	1.7
84.08120	0.7
84.81812	0.5
85.02898	2.8
91.05484	1.0
93.07049	2.2
94.02927	2.6
94.06599	0.8
95.04989	0.7
95.08606	36.3
96.00855	0.9
96.04492	3.8
96.08969	0.8
97.02894	0.6
97.06561	0.8
98.06066	0.6
98.09657	1.0
102.01923	1.0
107.08577	0.8
109.06521	0.6
109.10156	3.4
110.02406	3.0
110.07130	0.7
111.91438	0.5
112.03957	1.7
114.01872	2.7
114.05556	0.6
114.09161	2.1
123.11772	0.6
124.03915	0.8
126.05523	0.6
128.03432	6.4
128.10701	0.8
137.13252	57.0
138.13574	1.9
140.02400	0.9
140.03432	10.3
143.61429	0.4
149.23120	0.5
154.27351	0.5
158.04477	14.3
164.14426	2.5
170.04480	1.2
170.15405	0.8
176.05554	9.3
182.08150	0.9
188.05464	2.4
192.13741	0.9
196.09695	1.0
198.14911	0.9
210.14806	0.8
220.13261	0.7
224.16437	1.9
238.14368	4.0
252.15918	3.2
256.11758	1.0
266.17453	1.9
276.20438	0.8
284.18454	2.4
294.24335	2.2
312.18048	100.0
312.25290	8.6
313.06958	0.8
313.18460	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	312.1805
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
50.32081	0.6
53.03946	0.5
55.05511	3.0
57.03434	0.9
57.07072	2.9
58.02944	0.6
58.06593	0.9
65.03930	0.6
67.05507	6.9
68.05016	1.0
68.05815	0.5
69.03426	1.4
69.06712	0.7
69.07068	10.3
70.06586	1.4
70.07391	0.7
71.08614	0.7
72.08154	1.3
78.23684	0.6
79.05466	3.0
81.07055	56.6
82.07373	1.5
83.04307	0.5
83.08617	3.3
84.00806	0.6
84.04497	2.5
85.02890	1.5
85.06542	0.6
89.12128	0.5
91.05486	0.9
93.07037	2.3
94.02924	2.5
95.04951	0.6
95.08603	35.5
96.04478	2.3
96.08096	0.6
96.08936	1.3
97.10165	0.9
98.97578	0.6
99.08125	0.9
100.08446	0.5
101.57095	0.6
102.01877	0.9
102.10433	0.6
105.07002	1.0
106.02761	0.5
106.07358	0.7
107.08589	1.8
108.08115	1.3
108.08895	0.6
109.10152	4.3
110.02348	2.7
110.10466	0.7
111.11742	1.2
111.12520	0.5
112.03982	1.1
114.01877	2.8
114.05528	0.9
116.98625	1.0
119.08614	0.8
121.10159	1.0
123.11714	1.2
124.03935	1.1
128.03445	6.2
128.10675	0.7
135.11729	1.1
137.13249	44.8
138.13606	1.1
140.03426	8.9
158.04483	10.3
164.14282	1.0
174.04008	1.1
176.05554	6.2
182.08266	0.7
183.18355	0.6
188.05531	2.1
192.13945	0.9
194.15556	0.7
196.09685	0.9
222.18413	0.7
224.16483	3.4
238.14435	2.7
240.97922	0.7
252.15912	3.9
256.11505	0.7
266.17435	1.8
284.18579	4.4
294.24210	2.2
311.29370	1.8
312.18039	100.0
312.25418	4.2
312.29568	2.6
313.18329	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	312.2167
Annotation	YM 47515
Peak:m/z	Relative Intensity
56.05033	1.4
58.06598	100.0
59.06930	0.7
69.80762	0.8
73.05302	0.7
73.65661	0.2
73.93533	0.2
79.42390	0.2
84.24930	0.2
88.07621	1.8
103.32750	0.2
104.94538	0.2
105.07017	0.2
118.08650	2.1
128.10724	0.5
137.00583	0.2
137.05989	0.4
137.08818	0.2
192.08934	0.3
220.08296	0.3
248.08055	0.2
252.10902	0.3
269.28387	0.2
280.10489	0.5
312.13232	0.6
312.21667	26.1
313.21951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85587	0.2
55.01876	0.3
55.05515	0.6
56.05022	0.8
58.06600	0.6
62.61818	0.3
67.05509	0.6
68.05022	0.4
69.03449	0.3
69.07052	1.0
69.30376	1.5
70.06603	1.2
71.04975	0.3
72.08151	0.6
73.44317	0.3
79.05483	1.4
81.07050	2.1
82.06571	2.1
83.04930	0.3
84.08151	1.4
86.09705	0.3
87.04487	0.3
91.05466	0.3
93.07039	1.2
94.06542	0.5
94.72340	0.3
95.07337	0.9
95.08590	1.3
96.08086	0.3
97.06513	2.6
98.22718	0.6
98.97590	0.6
100.11237	0.9
105.07048	0.8
108.08100	2.0
110.09677	28.3
114.87180	0.3
116.98598	0.4
122.09672	2.1
123.08096	1.1
128.10715	100.0
129.11029	2.1
140.10643	1.7
181.04996	0.6
222.55083	0.3
276.23126	0.3
294.20630	1.2
294.24265	1.4
312.21683	48.8
312.25366	22.1
313.07120	0.3
313.21997	2.7
313.25635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96135	1.4
53.06929	1.7
55.05499	2.0
56.05016	2.8
57.03420	1.7
58.06568	7.2
66.43727	1.4
67.05470	4.9
69.07031	1.5
69.22294	1.8
70.06560	5.1
71.45810	3.0
72.08131	3.7
72.75446	1.8
75.90430	1.5
79.05454	3.0
81.07014	3.2
83.91886	1.4
84.08139	12.7
88.07603	2.0
91.05437	4.3
93.06955	1.7
96.08085	3.0
98.66141	1.5
98.97559	4.2
102.75527	1.8
110.09619	5.9
112.11246	7.7
113.62465	1.5
115.05383	6.6
116.98536	2.4
117.07011	1.5
119.08443	1.6
124.61562	1.5
125.16231	1.8
128.06126	5.0
128.10716	9.1
129.06914	2.2
136.12643	1.6
141.06886	3.7
144.89026	1.8
153.06961	3.7
154.74861	1.5
155.08432	1.7
165.06897	2.8
179.08516	2.0
181.04771	2.1
198.89529	2.0
206.18913	3.1
216.90570	3.5
216.98686	1.7
234.99655	3.6
276.26666	2.1
294.22147	16.2
294.27582	5.6
312.22943	100.0
312.28400	41.1
313.23495	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	312.2323
Annotation	1-Methyl-2-[(Z)-6-undecenyl]quinolin-4-one
Peak:m/z	Relative Intensity
53.03920	0.4
55.05508	1.8
56.05035	2.8
56.05843	0.3
56.63768	0.4
57.03436	1.9
58.06600	5.3
63.65426	0.4
65.03936	0.9
67.05504	3.8
69.07063	1.7
70.04916	1.2
70.06596	2.8
70.07382	0.5
71.04999	0.7
71.07366	1.5
72.08159	2.7
77.03924	0.9
78.01158	0.4
79.05495	4.0
79.18974	0.4
81.07047	4.2
82.06596	0.9
83.08595	0.4
84.08141	11.3
85.06522	0.8
88.07636	1.0
91.05469	4.4
93.07034	2.3
95.04972	1.8
95.08582	2.6
96.08131	2.1
96.08965	0.4
97.06546	0.6
97.08934	0.6
97.10168	0.6
98.09700	1.5
98.97596	0.8
99.08072	0.7
101.03899	1.1
103.05511	0.7
105.04530	0.5
105.07021	1.4
107.08590	0.7
108.08141	0.6
109.06514	1.0
109.08870	0.4
109.10181	0.6
110.09673	2.3
110.10338	0.4
111.10536	0.4
112.11253	1.0
114.09173	0.8
115.05451	7.6
115.06226	0.6
115.33321	0.4
117.07026	1.7
119.08598	0.9
120.08878	0.5
121.10145	0.9
124.11218	0.4
125.09624	0.5
127.05428	0.7
128.06224	3.4
128.10745	1.0
129.07022	2.6
135.11734	0.5
138.62361	0.4
141.06967	3.2
142.07750	0.7
145.06567	0.4
152.06181	1.2
153.07033	2.7
154.07710	1.2
155.06035	0.5
155.08566	1.4
158.09610	0.5
165.07004	3.0
166.07718	1.4
167.08569	1.6
170.09669	0.5
178.07745	1.3
179.08543	1.7
181.04898	0.4
181.10158	0.6
182.76030	0.5
191.08723	0.4
193.10170	0.5
206.19052	2.9
276.20389	0.9
276.26822	0.4
294.22113	20.2
294.27380	0.7
295.22516	2.0
312.23193	100.0
312.28354	5.7
313.23563	6.1
317.27448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05489	1.3
57.07066	0.5
58.06564	0.5
60.21846	0.4
67.05482	1.2
69.07060	2.6
70.06568	1.4
71.04972	0.5
79.05479	1.8
80.04989	0.5
81.07059	2.1
82.06568	1.3
83.04971	1.5
83.08614	0.6
84.04503	0.4
84.08121	0.6
87.04474	0.9
89.06000	0.6
91.05460	1.0
93.07061	2.2
94.06567	2.0
95.07334	0.7
95.08582	1.8
96.08114	0.9
97.06505	1.6
100.11290	2.6
105.06992	1.6
107.07313	0.5
108.08093	1.4
110.09679	13.0
111.10033	0.6
114.09167	0.7
116.98564	0.5
120.08053	0.7
122.09666	11.2
123.08147	0.5
128.10713	31.3
129.11003	0.9
134.09654	0.9
135.10332	0.5
136.11160	0.7
140.09656	0.6
140.10698	10.8
140.66144	0.5
142.08656	0.6
144.06519	0.6
146.09622	0.8
152.10645	1.3
165.11441	0.5
168.13831	0.9
169.12236	0.6
181.05055	0.4
188.07787	0.4
196.13333	0.9
236.20020	1.1
276.23203	1.9
283.06055	0.5
294.21191	0.8
294.24274	6.6
295.24646	0.5
312.21643	16.9
312.25247	100.0
313.06979	1.8
313.21927	1.1
313.25562	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	312.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26301	0.8
55.05508	2.1
56.05024	1.3
57.03428	1.6
58.06595	4.7
61.63998	1.1
63.57155	0.8
67.05508	4.4
69.07088	1.2
70.06572	1.9
70.95995	0.9
71.04976	1.2
72.08160	2.3
79.05490	3.1
80.73203	0.8
81.07049	4.0
83.08109	0.8
83.08601	0.9
84.08142	9.4
85.06556	1.6
91.05489	0.9
93.07051	3.4
95.08622	3.3
96.08150	1.3
98.09675	2.3
98.97583	1.6
105.07025	1.1
112.11213	1.0
116.98638	1.6
118.24635	1.0
133.10153	1.2
147.11702	1.7
149.13249	0.9
170.15381	3.2
198.14839	4.4
198.89667	1.0
226.14476	2.4
234.99835	1.6
294.24277	25.0
295.24677	1.5
304.89093	0.8
312.25345	100.0
312.28802	6.3
313.25562	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	312.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.05027	1.5
57.03434	1.6
58.06607	4.5
67.05505	4.4
69.07049	1.1
70.06577	1.9
71.45786	0.8
72.08141	1.3
79.05499	2.3
81.07057	7.0
83.21925	0.7
84.08144	8.7
85.06530	1.4
86.88338	0.5
88.07632	1.1
91.05463	1.8
93.07053	4.0
95.08628	3.9
95.09130	0.6
96.08129	0.7
98.09715	1.5
98.97575	1.1
99.08115	0.8
103.76041	0.6
105.07025	1.1
107.08584	2.6
109.10146	1.4
110.09653	1.1
112.11220	0.9
116.98615	0.7
119.08597	0.8
121.10114	1.0
123.08128	0.7
131.08571	0.9
133.10118	0.7
139.05135	0.6
147.11621	0.8
149.13280	1.1
159.11729	0.8
216.90654	0.8
234.99844	1.4
246.84135	0.7
263.08499	0.7
267.21463	0.9
294.24258	24.6
295.21039	2.7
295.24487	1.1
312.25333	100.0
313.25595	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	312.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05507	5.9
56.05035	2.0
57.03176	0.7
57.03439	6.7
57.07067	0.5
58.02962	2.4
58.06602	6.5
58.50090	0.4
65.03945	0.5
67.05161	1.0
67.05505	15.7
69.07069	6.8
69.73022	1.5
70.06584	1.3
71.04973	0.6
71.08646	0.8
72.08150	2.6
74.44418	0.4
79.05491	4.2
81.07059	14.0
82.06590	0.8
83.04971	0.8
83.08622	3.8
84.08144	35.6
85.06544	1.0
85.08439	0.5
87.11130	0.4
88.07634	1.1
91.05479	1.5
93.07043	4.4
94.06570	0.4
95.08607	15.1
95.14447	0.5
96.08138	1.2
96.94894	0.4
97.06550	3.7
97.10175	1.1
98.09676	1.0
99.08076	2.7
105.07011	0.7
105.41718	0.5
107.08607	3.1
109.10165	4.5
110.09684	4.0
111.08070	0.6
112.11243	1.6
113.09648	2.1
119.08552	0.6
121.10143	2.2
123.11745	0.6
125.09578	0.9
128.10721	16.4
130.69135	0.5
133.10144	0.6
135.11694	1.3
135.66725	0.4
141.62212	0.5
149.13258	0.9
226.21327	0.5
263.23590	0.9
276.26862	7.9
277.27252	0.6
294.27933	22.7
295.28302	1.4
312.28970	100.0
313.29327	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	312.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30066	0.3
55.05524	0.4
56.05043	1.7
57.07078	1.7
58.06599	100.0
59.06936	1.1
67.05506	0.8
69.07060	0.5
70.30917	0.7
70.31264	0.4
72.08154	0.6
73.05304	1.2
81.07056	0.8
82.06602	0.4
83.04974	0.7
84.08156	1.5
84.92121	0.3
88.07625	2.4
93.07050	0.6
95.08588	0.7
96.08096	0.4
96.92202	0.5
97.06557	0.9
100.07583	0.3
109.02858	0.5
110.09660	2.0
111.04440	0.7
112.04813	0.5
116.98662	0.5
118.08671	3.4
128.10715	11.5
144.06322	1.5
153.05505	0.4
181.05052	0.5
192.11111	0.6
198.89624	0.5
209.11736	1.8
210.12057	4.9
216.90659	0.6
237.11215	1.2
238.04700	0.4
238.11528	4.8
248.66232	0.4
256.12567	1.2
267.21780	0.5
289.98221	0.3
294.17932	0.4
294.27930	1.3
312.15390	0.8
312.28946	77.3
313.29297	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	312.2898
Annotation	(plusmn)13-Azaprostanoic acid
Peak:m/z	Relative Intensity
56.05038	1.5
57.07074	1.3
58.06601	100.0
59.06930	0.7
70.72545	0.4
73.05305	1.1
83.04984	0.7
84.08163	0.4
88.07629	2.7
93.07014	0.4
110.09667	2.2
111.04444	0.5
118.08643	3.7
125.06145	0.4
128.10727	9.9
129.11069	0.6
144.06371	0.3
154.05853	0.5
209.11720	1.2
210.12009	2.1
237.11255	0.8
238.11577	2.1
239.11623	0.4
256.12689	0.6
277.05054	0.4
294.28067	0.8
312.28958	72.5
313.29303	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	312.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38537	0.2
53.03955	0.5
55.05513	5.3
56.05043	2.0
57.03454	1.0
57.07085	0.9
58.02978	0.2
58.06601	2.4
64.66764	0.2
65.03948	0.3
67.05501	4.2
67.05817	0.4
68.05032	0.4
69.07065	4.0
69.30156	0.5
69.30547	0.5
70.06591	3.7
71.04996	1.3
71.07372	0.4
71.08635	0.5
72.08146	1.3
79.05492	1.7
81.05817	0.4
81.07054	3.8
82.06577	1.5
83.04993	0.7
83.08615	2.5
84.08144	5.6
85.06535	0.3
85.08936	0.3
86.09695	1.6
87.98813	0.2
88.07631	2.6
91.05479	1.4
93.07038	2.1
94.06586	1.0
95.04988	1.0
95.07384	0.7
95.08601	3.3
96.08127	4.5
97.06557	0.9
97.08980	0.3
97.10191	0.9
98.09708	0.8
98.97633	0.3
99.08099	0.5
105.07034	0.6
107.08588	1.2
108.08107	2.6
109.08913	0.8
109.10133	1.2
110.09677	4.0
111.10518	0.4
112.11241	0.9
114.09188	1.3
115.05465	1.6
116.98618	0.3
120.97521	0.2
121.10169	0.4
122.09682	1.4
123.10466	0.8
124.11238	1.3
127.97041	0.2
128.06250	0.8
128.10699	3.5
129.07050	0.6
129.11057	0.4
131.08650	0.3
133.10179	0.5
135.11679	0.3
136.11201	0.5
138.12756	0.4
141.07034	0.8
141.12788	0.7
143.08603	0.4
152.06142	0.5
153.07019	0.5
154.12268	0.5
165.07042	1.0
166.07834	0.4
167.08589	0.6
179.08578	0.4
206.19083	1.0
208.20604	0.6
216.90738	0.4
221.40387	0.2
236.23697	2.0
246.22133	0.4
250.25299	1.0
274.25336	0.8
276.23849	0.5
276.26865	11.4
277.21625	0.5
277.27264	0.5
281.86166	0.3
294.22729	4.4
294.27896	33.3
295.22711	1.8
295.28140	1.6
307.96149	0.3
312.23419	24.0
312.28931	100.0
313.23682	2.0
313.29285	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	312.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05294	0.3
55.05511	7.0
56.05040	2.4
57.03441	4.8
57.07073	0.6
58.02954	1.6
58.06602	8.4
65.03925	0.9
67.05502	15.8
68.05852	0.8
69.07072	7.4
69.15261	3.2
70.06601	2.2
71.04994	0.7
71.08617	0.8
72.08158	3.0
77.63604	0.5
77.64980	0.5
79.05494	6.1
79.36488	0.7
81.07056	15.4
82.06570	1.5
83.04970	0.9
83.08621	4.9
84.08142	31.4
85.06547	1.0
86.06081	0.6
87.06837	0.7
88.07621	1.1
91.05484	1.7
93.07038	5.0
95.04968	1.4
95.08603	14.3
96.08143	1.8
97.06540	3.2
97.10160	1.1
98.06040	3.3
98.09698	1.2
99.08099	2.1
100.07597	0.6
104.48371	0.5
105.07028	0.8
107.08603	3.1
108.08133	1.9
109.06480	0.7
109.10163	4.7
110.09682	7.0
111.08086	0.8
112.10467	0.5
112.11250	0.9
113.09653	1.6
121.10138	1.8
122.09701	0.6
123.08112	0.6
123.11723	1.4
124.11215	0.6
125.09663	0.7
126.09154	1.5
128.10715	23.5
135.11716	2.0
137.06041	0.8
142.12242	0.6
144.06305	2.7
149.13264	1.1
150.91562	0.5
163.14746	0.6
245.22557	0.6
263.23764	1.5
268.22369	0.6
276.26828	5.5
294.27899	25.2
295.28156	1.4
312.28989	100.0
313.29315	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	312.29
Annotation	(plusmn)13-Azaprostanoic acid
Peak:m/z	Relative Intensity
54.53821	0.3
55.05522	2.5
56.05040	1.6
56.96527	0.4
57.03436	0.5
58.06604	6.2
58.07037	0.4
63.00843	0.3
63.26263	0.3
67.05222	0.4
67.05511	4.0
69.07082	2.2
70.06597	3.2
70.60719	0.6
71.04978	0.6
71.07380	0.7
72.08154	2.0
74.28829	0.3
79.05486	1.4
81.07059	5.6
83.08624	1.7
84.07664	0.6
84.08140	8.0
88.07602	1.1
91.05482	0.5
93.07034	1.4
95.08609	4.9
96.08121	0.7
96.60291	0.3
97.06561	0.4
97.10172	0.5
98.09718	1.6
98.97573	0.8
99.99620	0.4
107.08559	0.8
109.10153	2.6
110.09737	0.5
112.11240	4.4
116.98579	0.6
121.10085	0.6
123.11723	0.7
128.10696	0.4
170.15401	0.4
198.14897	0.7
234.99826	0.6
263.05716	0.4
294.24420	2.7
294.27884	24.8
295.24881	0.4
295.28137	1.8
312.25369	10.7
312.28922	100.0
313.25360	1.2
313.29282	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	312.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20773	2.4
53.59393	2.3
55.05515	2.3
56.05021	2.3
57.03414	2.3
57.07085	2.9
58.06585	7.5
58.14278	2.3
67.05496	4.4
68.32412	2.3
70.06583	6.2
70.94738	2.5
72.08142	3.0
81.07051	6.2
84.08134	9.0
95.08597	5.1
98.97588	8.4
103.41476	2.1
109.10138	2.6
109.93740	2.3
116.98624	4.4
158.16299	2.9
181.05013	2.6
192.98741	2.3
214.40619	2.6
216.90617	4.1
234.99844	5.1
261.81564	2.9
294.27924	25.8
310.61087	2.9
312.25140	30.7
312.28943	100.0
312.32492	3.6
313.19803	2.8
313.25510	2.9
313.29205	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	312.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80408	0.4
51.96667	0.3
55.05500	1.0
56.05025	1.3
57.07076	0.9
58.06603	3.8
67.05508	1.3
68.05012	0.3
69.07058	1.0
70.06590	2.1
70.31952	0.6
71.04995	0.3
71.08619	0.5
72.08147	1.5
77.90013	0.3
79.05480	1.1
81.07063	1.3
82.06573	1.2
82.07781	0.3
83.08607	0.5
84.08132	2.7
85.10213	0.4
88.07626	0.6
91.05501	0.5
92.65753	0.3
93.07038	1.4
94.06576	0.6
95.07335	1.3
95.08632	0.8
96.08120	0.5
96.92233	0.4
97.06548	2.5
98.97593	0.5
108.08122	2.2
109.06420	0.4
109.10125	0.6
110.09679	28.4
111.10015	0.4
114.13300	0.3
116.98621	0.5
128.10716	100.0
129.11070	2.1
133.31210	0.3
144.06332	2.7
168.38748	0.3
175.00616	0.3
198.89508	0.5
216.90631	0.5
216.98642	0.7
221.76543	0.4
234.99843	0.4
267.21750	0.4
268.22406	0.7
276.26837	1.1
294.22083	1.7
294.27875	3.2
312.23495	8.1
312.28943	70.0
313.23557	0.6
313.29343	4.3
321.92908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11336	0.2
55.05511	3.2
56.05040	1.4
57.03442	2.1
57.07056	0.4
58.06339	0.5
58.06601	4.9
60.27153	0.3
67.05173	0.2
67.05506	4.0
69.07065	2.9
69.93596	0.7
70.06592	1.9
71.05009	1.4
71.07374	0.5
72.08163	2.0
76.09971	0.2
77.66251	0.2
79.05489	1.2
81.07049	5.8
82.06561	0.3
83.04981	1.0
83.08628	1.8
84.08143	9.0
85.06541	0.9
88.07602	0.6
93.07050	3.2
95.08607	4.4
96.08139	0.4
97.06519	1.9
97.10133	0.6
98.09679	0.9
98.97546	0.4
100.07642	0.6
107.08585	3.0
109.10147	2.7
110.09678	0.4
111.04450	0.5
112.11244	1.9
116.98607	0.4
121.10134	1.4
123.11691	0.8
137.13225	0.3
149.13248	6.5
150.13588	0.5
151.25093	0.3
167.14288	1.8
184.16951	4.4
198.89528	0.3
216.90584	0.3
226.21661	0.4
234.99823	0.3
250.21652	0.6
266.21121	5.2
294.20700	10.3
294.27890	26.5
295.20877	0.7
295.28229	1.6
312.21481	2.3
312.28943	100.0
313.25726	0.3
313.29260	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	313.1547
Annotation	Phe Phe
Peak:m/z	Relative Intensity
54.31467	0.1
57.03430	0.6
58.06593	0.4
58.62845	0.1
67.05502	0.4
69.07066	0.4
69.53072	0.6
70.06602	0.7
71.45668	0.1
72.08147	0.6
77.03896	0.1
79.05470	0.5
81.07047	0.6
82.06590	0.2
84.08135	0.2
86.09712	0.3
91.05469	1.0
93.07048	2.4
95.04974	0.5
95.08603	0.5
97.06510	0.6
98.09686	1.0
98.23492	0.2
103.05463	5.0
105.04498	0.2
105.07010	0.4
107.04952	0.2
109.06496	0.2
110.09669	1.1
111.10076	0.2
118.06467	0.1
119.08590	0.4
120.08101	100.0
121.07628	0.2
121.08441	2.4
121.09228	0.2
128.10716	6.6
129.11067	1.8
131.04945	0.3
131.08549	0.2
133.10062	0.2
134.71968	0.1
137.05969	0.1
142.12282	0.4
166.08621	5.4
167.45908	0.1
200.72997	0.1
267.14923	0.8
295.20737	0.2
296.22226	0.5
313.07263	0.7
313.15515	3.2
313.19092	0.2
313.22119	3.3
313.25598	0.2
314.19983	0.4
314.23236	10.4
333.11856	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	313.2375
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03945	3.0
54.13344	1.9
55.01871	23.2
55.05510	49.3
56.96563	8.0
57.03434	7.1
57.07071	8.2
65.03958	2.7
67.05502	89.7
67.05865	4.3
69.03434	3.0
69.07066	36.5
69.48295	8.0
69.48660	4.2
71.04996	6.4
71.08639	26.4
72.08157	4.5
72.32484	2.6
79.05495	44.7
81.03421	5.7
81.07057	100.0
82.12003	2.4
83.04974	15.5
83.08620	36.0
84.08136	2.8
85.06538	8.3
85.10181	5.7
91.05476	37.8
93.07047	62.2
95.04970	11.0
95.08607	48.9
97.06529	20.3
97.10149	11.9
98.23436	4.7
98.97587	7.9
99.08085	26.0
105.07028	29.6
107.04985	2.8
107.08592	37.6
108.08919	2.5
109.06511	9.5
109.10147	31.4
111.08084	29.5
113.09650	5.9
116.98595	5.4
117.07029	11.6
119.08559	19.1
121.06503	2.8
121.10145	25.2
123.08076	5.7
123.11703	15.1
125.09618	7.1
129.07031	4.0
131.08577	11.4
133.10127	22.9
134.99667	2.8
135.08005	4.0
135.11671	22.3
137.09642	7.3
139.11174	14.3
141.43990	2.2
143.08583	3.2
145.10120	9.9
147.11690	25.3
149.09628	5.1
149.13252	42.2
151.11148	15.1
153.12724	2.8
155.10674	3.9
157.10136	4.8
159.11699	15.7
161.13275	9.8
163.11230	8.3
165.12738	20.7
167.14334	5.9
171.11705	3.0
173.11763	13.2
173.13145	4.7
175.11230	4.4
175.14833	3.5
177.12715	8.5
179.14346	11.0
185.13243	4.2
189.11330	4.0
191.00804	2.3
195.13805	46.9
199.14845	3.0
213.14796	11.5
231.21169	4.3
241.11038	7.5
241.19467	6.4
249.22139	9.4
253.08372	16.4
253.11139	14.7
259.12262	4.8
259.20639	13.3
271.09595	2.4
271.12222	17.1
276.70340	2.4
277.21622	86.6
278.21933	5.6
295.22644	33.8
296.22964	2.6
300.75677	2.7
313.07086	3.4
313.10590	5.8
313.25574	29.1
313.96848	2.6
314.13541	2.7
314.26755	7.9
336.90253	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	313.2377
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.85453	1.8
53.03953	1.8
55.01868	6.0
55.05512	18.9
57.03423	6.1
57.07074	8.6
58.06600	9.0
67.05503	36.9
69.03423	2.1
69.07070	16.0
69.73054	5.1
69.73471	3.2
70.06596	3.8
71.04984	14.5
71.08264	3.3
71.08629	41.4
71.38463	2.0
72.08148	2.6
79.05496	15.3
81.07057	29.4
83.04973	11.3
83.08615	9.5
84.08156	19.0
85.06561	5.8
85.10204	2.2
91.05499	9.5
93.07040	19.9
95.04969	4.9
95.08601	20.8
97.06515	9.8
97.10168	9.4
98.97602	4.3
99.08096	31.9
105.07033	8.1
107.08575	14.9
108.41641	1.6
109.10169	12.5
111.08079	4.6
112.17580	1.7
116.98592	1.9
117.07015	2.7
119.08569	7.4
121.10147	8.8
123.11703	4.4
125.09619	3.3
127.11195	7.6
128.10689	8.3
129.24358	1.9
131.80481	2.0
133.10138	7.4
135.11671	11.2
136.41560	1.7
137.09547	2.3
141.11630	3.6
141.12737	51.0
143.08586	3.3
145.10136	4.5
145.33725	2.0
147.11681	4.3
149.13307	4.0
151.11206	11.6
153.12723	4.9
159.11667	1.9
161.13266	5.9
163.11194	10.5
165.12828	2.5
169.12225	15.6
171.11613	1.8
175.09677	1.9
175.14798	2.8
179.14351	6.5
181.12390	2.1
185.13399	1.9
189.11238	2.2
199.14911	1.8
221.15404	3.6
231.20912	2.3
241.19537	2.0
249.22137	1.8
259.20645	4.8
277.18564	2.6
277.21625	53.8
278.21884	4.2
278.28439	2.9
295.22678	100.0
296.22888	6.2
296.29471	12.0
298.10831	2.4
313.17694	2.1
313.29227	9.4
314.13846	3.5
314.30508	47.7
329.71219	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24905	0.5
55.05508	6.8
57.03151	0.7
57.03436	18.9
57.07074	56.8
58.07394	1.2
59.04997	0.8
60.03883	0.4
60.08149	0.5
67.05499	10.9
69.06711	0.7
69.07068	9.6
70.72887	0.5
70.73228	0.8
71.05022	0.6
71.08628	36.1
81.07053	13.8
82.64546	0.4
83.08618	11.2
85.06534	0.6
85.10177	19.3
89.06024	2.9
93.07054	1.0
95.08599	19.9
96.08944	0.5
97.06495	0.6
97.10164	5.7
99.11727	1.5
103.07566	2.6
107.08582	0.8
109.10149	9.8
111.08144	0.6
111.11698	1.1
111.48257	0.5
117.09160	0.6
123.11709	3.3
125.13254	0.9
137.13251	1.5
164.75909	0.4
184.23706	0.5
219.21141	0.5
219.47011	0.6
221.22577	0.8
239.23660	3.7
257.24759	4.1
313.27344	100.0
313.36548	2.8
314.13788	0.7
314.27655	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53120	0.2
52.89027	0.2
53.03954	0.2
54.95654	0.2
55.05514	4.0
57.03438	7.1
57.07076	36.4
58.07416	0.3
59.05002	0.4
64.47787	0.2
65.03954	0.5
67.05505	7.2
69.07069	5.5
69.07449	0.4
69.41048	0.9
71.04986	0.4
71.08632	23.4
72.08980	0.3
79.05506	0.5
81.07057	7.8
83.08620	5.9
83.46082	0.2
85.06557	0.5
85.10181	11.3
85.37461	0.2
89.06028	0.7
93.07059	0.4
95.08611	11.0
96.08915	0.2
97.10172	3.0
98.22729	0.5
98.97627	0.3
99.08060	0.2
99.11761	0.5
101.05980	0.3
103.07584	0.7
109.10158	4.7
111.11709	0.6
116.64686	0.2
123.11712	1.7
125.13287	0.3
137.13245	0.6
142.37253	0.2
149.98250	0.2
221.22697	0.3
239.23685	1.3
257.24771	0.9
298.10785	0.4
313.27362	100.0
314.13913	0.7
314.24808	0.2
314.27704	5.6
314.33997	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	314.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72043	0.9
55.01849	0.9
55.05513	3.0
56.05020	1.0
56.96571	1.3
58.06600	1.9
61.02929	1.4
68.34448	0.8
69.03433	3.1
70.06596	20.7
72.08158	47.8
73.06558	52.8
79.05501	2.0
81.03424	1.6
81.07057	2.8
84.04490	2.1
84.08141	2.8
85.02906	12.3
86.09713	11.2
89.06036	22.1
96.08123	5.1
97.02890	4.6
98.97579	8.2
99.04469	0.9
104.07146	0.9
107.08703	1.0
110.07139	1.8
111.04451	1.0
114.09184	8.7
115.07533	1.2
116.07097	37.2
116.98631	6.0
117.05505	0.9
117.09131	5.6
123.04382	0.8
124.07583	2.4
125.98544	0.9
127.03929	1.5
128.10661	1.0
132.10188	5.7
134.99710	4.4
135.10172	100.0
136.10507	2.0
145.04951	2.4
147.08083	1.9
152.07083	9.8
155.08168	2.1
171.14920	14.4
172.15141	1.1
178.07047	0.9
183.07738	0.9
193.09514	2.1
195.01100	2.2
199.14391	10.4
199.15923	1.0
215.13931	2.6
290.94714	6.9
296.18546	1.3
308.95871	1.7
314.06723	2.8
314.12943	1.5
314.19608	8.7
314.23376	2.0
315.07465	1.4
315.14233	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	314.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05502	1.2
57.03461	0.4
57.07058	0.4
58.06594	0.3
62.06078	0.9
67.05486	0.8
69.07065	1.0
69.99992	0.3
70.00320	0.7
70.06583	2.4
71.08633	7.9
72.08154	1.5
73.02928	1.8
79.05482	0.9
81.07066	1.9
82.06625	0.3
83.08589	0.5
84.04468	0.3
84.08146	1.9
86.06068	4.5
91.05454	0.4
93.07034	0.8
95.08607	2.1
96.08125	3.1
97.06516	0.4
97.10130	0.3
98.06051	1.4
98.09689	3.0
98.97583	1.2
99.04446	1.1
99.08099	2.9
100.07608	0.3
100.78019	0.3
101.02375	4.4
107.08578	0.8
108.08123	1.4
109.06512	0.5
109.10107	0.4
110.09672	0.5
113.08401	0.7
114.09169	0.9
116.10729	16.1
116.98631	0.6
117.10979	0.3
119.08550	0.3
121.08883	0.3
121.10153	0.3
122.09676	1.9
124.07589	0.4
126.05524	1.7
126.09132	0.6
131.08656	0.3
136.11177	0.7
139.09894	0.3
140.10773	0.5
142.12230	0.4
143.10687	1.8
144.06534	2.4
145.04965	1.7
150.12747	0.3
152.14267	0.3
154.12263	0.3
154.15913	3.2
164.14355	0.4
166.15901	2.8
168.17467	1.1
170.11884	0.3
170.15347	0.6
178.15900	2.1
180.10301	0.4
196.16959	8.1
198.11212	2.1
205.64610	0.3
214.18013	100.0
215.18349	3.2
216.12335	1.9
282.18860	0.5
290.94803	0.4
296.18536	0.8
296.25900	0.9
314.13742	0.7
314.19580	4.5
314.23087	0.5
314.26788	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	314.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	7.9
62.98255	6.7
69.22309	5.9
71.08633	10.2
74.65597	5.6
81.07049	8.3
86.06052	15.7
98.97574	80.9
99.08092	5.9
109.06532	6.3
109.53144	5.2
111.08072	10.8
116.10732	7.9
116.98627	51.7
134.99651	21.4
137.05885	5.5
143.10620	9.7
156.94902	5.5
174.15602	5.4
182.44411	5.7
198.11230	100.0
198.14897	6.7
199.15175	8.3
216.12337	52.3
220.94330	5.9
223.53345	5.1
239.12639	6.4
250.93083	6.4
267.52051	5.9
268.94098	11.1
274.97351	9.4
290.94733	45.0
292.98328	7.3
296.25766	6.2
298.10666	11.1
299.11749	6.0
314.13846	15.2
314.19727	14.9
314.26794	16.8
315.07455	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	314.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05511	1.4
56.96566	1.3
57.03430	1.4
62.06080	2.3
66.35725	0.9
67.05499	2.0
69.07076	2.0
70.02956	1.3
70.06593	6.8
70.27721	2.3
71.04974	1.0
71.08620	3.5
72.08168	4.6
73.70481	1.1
75.99645	0.8
79.05475	2.2
81.07049	6.5
83.08613	1.1
84.08131	2.0
85.02898	1.5
85.06551	0.9
86.06069	20.8
86.09711	1.0
91.05475	2.0
93.07024	2.4
95.08580	4.1
96.08128	2.9
97.06535	1.4
98.09702	4.7
98.97580	6.8
99.08062	1.0
101.02367	2.8
103.45641	0.9
105.07029	1.4
107.08605	1.7
108.08117	3.4
109.06514	7.4
109.10169	1.2
111.08064	8.5
114.09158	1.9
116.10737	7.9
116.98630	5.9
119.08587	1.1
124.07535	1.0
133.10091	1.0
134.09668	4.1
134.14294	0.9
134.99646	3.7
137.05965	5.0
138.09126	1.1
142.08615	2.0
142.12257	1.4
143.10664	6.6
152.10735	3.3
156.13820	1.6
166.64026	1.0
170.11761	6.7
180.10179	3.4
198.11253	100.0
199.11569	2.9
216.12308	48.9
217.12682	1.2
227.85052	1.0
278.24786	1.1
290.94727	5.3
296.18555	2.9
296.25717	4.6
298.10922	1.1
314.13641	2.3
314.19699	4.1
314.26846	11.4
315.07468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.6
58.06606	2.8
61.61314	2.7
70.06573	4.2
71.59447	2.4
79.05492	2.5
80.08866	2.7
81.07058	3.4
82.06574	6.9
84.04507	3.9
84.08152	3.1
84.22686	2.3
84.77166	2.3
86.09673	5.6
89.34729	2.4
93.07042	7.9
96.08102	5.8
97.02898	14.1
98.97579	43.4
105.35202	2.3
108.08118	9.2
110.09678	79.1
112.11261	2.3
114.09167	14.4
116.98626	27.2
128.10712	5.2
133.61140	2.2
134.99664	19.1
136.06194	31.3
144.10216	6.4
150.19408	2.5
170.11755	100.0
171.12091	2.7
236.98724	2.4
251.32043	2.3
272.93704	3.4
287.23752	3.1
290.94666	30.1
296.08447	2.5
296.22141	12.8
298.10608	3.9
299.11200	3.3
308.95880	5.7
314.13757	9.9
314.19580	98.2
314.23233	27.3
315.07251	4.9
315.14081	3.2
315.19803	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.1
58.06600	78.2
67.05520	2.1
69.07063	2.0
70.06592	1.6
71.12106	1.7
72.08147	1.7
79.05501	2.7
84.08146	1.9
85.24637	1.4
88.07631	2.2
91.05457	1.5
96.08170	1.6
98.97586	20.7
110.09656	1.7
114.09167	1.5
116.98625	12.0
118.08624	4.1
128.10713	3.4
134.99678	5.1
170.34831	1.4
254.21136	8.0
274.97458	1.5
278.21106	3.4
290.94818	11.2
296.22278	2.5
296.25638	1.7
298.10632	1.7
308.95673	1.6
313.96103	1.4
314.23264	100.0
314.26758	3.7
315.07462	2.8
315.23669	5.1
333.08801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05516	1.5
56.05040	1.7
56.66228	0.3
57.03442	0.9
57.07090	0.3
58.06604	3.2
67.05502	2.4
68.05028	0.3
69.03415	0.4
69.07077	1.6
69.84663	0.5
69.84989	0.5
70.06594	3.8
71.04982	0.8
72.08147	1.3
79.05501	3.8
81.07054	3.3
82.06579	1.4
83.04965	0.7
83.08598	0.6
84.08144	5.6
84.08604	0.6
85.06535	0.7
86.06059	0.7
86.09702	2.7
87.04472	0.8
88.07631	0.6
91.05482	2.0
93.07048	4.2
94.06557	0.4
95.04980	0.6
95.07354	0.4
95.08617	1.6
96.08136	4.1
97.06519	2.4
98.09677	0.5
98.23377	0.3
98.97565	0.7
104.07073	0.3
105.07038	1.7
107.04947	0.7
107.08598	1.6
108.08107	1.3
109.06520	0.5
109.10117	0.4
110.08959	0.6
110.09685	7.9
110.10446	0.5
111.08077	0.4
111.09927	0.4
112.07589	0.4
112.11246	8.1
114.09177	0.8
117.06999	0.3
119.08595	1.6
121.10103	0.5
122.09654	0.5
123.08005	0.5
123.11736	0.3
124.11226	0.6
125.09578	0.3
128.03395	0.3
128.10719	28.7
129.11047	1.6
130.11296	0.6
131.08575	0.7
132.27538	0.3
133.10123	0.9
134.00307	0.3
135.08081	0.5
135.52773	0.3
136.11110	0.3
137.06065	0.3
138.12735	0.3
142.12221	0.3
145.10139	0.5
147.11693	1.2
149.09563	0.8
150.12775	0.4
151.11188	0.3
156.10193	3.2
168.13875	0.4
170.11758	0.5
173.12862	0.9
185.22151	0.3
193.12305	0.3
201.12302	0.6
210.14793	0.3
211.13237	0.3
234.22203	0.6
236.20049	0.5
252.23363	0.5
254.17422	0.4
254.21277	0.3
278.21115	4.1
290.94913	0.4
296.15012	0.4
296.18884	0.5
296.22186	14.2
297.22580	0.4
314.07291	0.9
314.19882	4.3
314.23230	100.0
315.14099	0.5
315.19830	0.4
315.23544	5.0
315.26941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2325
Annotation	cis-4-decenoylcarnitine
Peak:m/z	Relative Intensity
50.08105	0.2
55.05505	0.9
56.05038	1.4
57.03432	0.7
58.06601	18.8
58.50133	0.3
59.06929	0.6
67.05505	2.5
69.07068	1.0
69.80033	0.8
70.06598	2.0
70.06918	0.4
71.05000	0.6
72.08150	2.9
79.05489	1.0
81.07064	3.6
82.81939	0.3
83.04967	0.6
83.08620	0.5
84.08156	1.8
85.06519	0.3
88.07639	0.6
91.05466	0.8
93.07070	1.3
95.08614	1.8
96.08144	0.9
98.09704	0.8
98.97588	0.9
100.07617	0.4
105.06998	0.6
107.08591	1.0
109.06512	0.4
109.10133	0.6
110.09678	0.8
112.11235	1.6
116.98633	0.6
117.34770	0.3
119.08587	0.9
121.10146	0.4
121.35225	0.3
128.10742	0.7
133.10141	0.4
144.10313	0.3
158.43382	0.3
168.13843	0.4
186.76834	0.3
208.20482	0.3
212.16479	0.5
226.17972	0.6
234.22165	0.8
236.20197	0.5
252.19621	1.2
252.23190	0.7
254.21143	11.4
255.21455	0.5
270.24255	2.2
272.22073	0.3
278.21158	3.4
290.64691	0.3
290.94681	0.5
296.22098	3.5
296.25189	0.3
314.23239	100.0
315.23566	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	314.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05494	1.3
56.05031	1.4
57.03440	4.3
58.06609	0.7
61.84775	0.3
67.05512	1.8
69.07070	2.4
69.43533	1.5
70.06591	5.1
71.05005	0.9
72.08151	3.5
73.43719	0.3
79.05498	4.0
81.07054	3.3
82.06586	1.6
83.04971	0.8
83.08630	0.6
84.08144	1.3
85.02906	0.7
85.72511	0.3
86.09700	1.0
90.25367	0.3
91.05472	3.1
93.07042	5.1
95.04958	1.3
95.07331	0.5
95.08607	2.6
96.08106	0.5
97.06541	6.3
98.09695	6.7
98.97581	0.6
99.08089	1.5
102.09187	0.6
103.05452	1.3
104.05814	1.0
105.07030	1.4
107.04932	0.4
107.08581	1.3
108.08128	1.4
109.06486	0.8
110.09676	12.2
111.08089	0.7
113.09644	1.2
114.16811	0.4
115.07568	0.3
116.98624	0.8
117.07023	0.8
119.08547	2.6
120.08105	22.2
121.06505	1.1
121.08441	16.5
125.09594	0.4
128.10716	77.5
129.11047	2.0
131.08559	1.5
133.10121	1.3
135.08084	0.5
135.11670	0.9
139.07523	1.5
142.12265	3.1
145.10167	0.4
147.11682	0.7
151.11140	0.3
159.08047	0.3
161.09576	0.7
166.08662	0.7
167.09006	0.9
173.13232	0.5
181.60243	0.4
264.72964	0.3
278.21030	0.7
290.94763	0.4
296.22217	4.2
298.10577	0.4
311.80487	0.3
313.72617	0.3
314.23233	100.0
315.23538	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	314.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05424	2.5
55.05710	0.7
56.04940	1.4
56.05241	0.6
57.03363	0.6
57.06981	0.4
58.06506	1.8
65.22867	0.3
67.05404	4.7
67.05793	0.6
68.04946	0.4
69.06966	4.1
70.06490	14.2
70.06917	2.0
71.04886	1.2
71.07303	0.6
71.45924	0.4
72.08053	2.6
79.05389	2.2
79.80112	0.4
81.06948	7.8
81.07467	0.6
83.08540	0.9
83.08984	0.3
84.08037	3.7
85.06451	0.8
85.08850	0.8
86.09600	3.3
86.10162	0.7
88.07530	1.0
91.05367	1.3
93.06929	1.9
95.08599	5.6
96.08109	2.6
97.06417	1.1
97.08821	0.4
97.10104	0.7
98.09682	6.2
98.97504	0.8
99.08019	0.4
105.06926	1.4
107.08591	2.1
109.06456	0.7
109.10143	3.8
110.09669	2.3
111.10357	0.6
111.11633	0.5
112.11232	6.1
113.05869	0.3
116.98528	0.6
118.00028	0.4
119.08501	0.6
121.08337	0.3
121.10059	1.2
123.07980	0.4
123.11600	0.7
124.11121	0.8
128.10698	1.8
133.10052	0.7
135.11574	0.3
139.11110	0.4
142.05002	0.3
142.12151	1.5
147.11636	0.7
168.13831	3.9
186.14897	6.2
226.17920	0.8
236.20032	3.5
254.21136	81.1
255.21452	3.6
268.62213	0.3
272.22437	0.5
278.21063	0.5
278.24860	0.5
290.94669	1.0
296.22195	1.2
296.25909	1.3
298.10849	0.4
314.23300	100.0
314.26874	17.1
315.07773	0.6
315.23660	5.2
315.27277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16092	0.7
51.60030	0.6
55.05500	1.3
55.99969	0.6
56.05031	1.7
56.96569	1.8
57.03421	1.7
58.06599	6.6
61.11493	0.7
65.54050	0.7
67.05508	2.5
69.07049	1.1
70.06590	3.4
70.80018	0.9
71.04990	1.1
71.07359	2.6
72.08160	1.2
76.70199	0.7
79.05489	4.7
81.07056	3.7
82.06606	1.0
84.08141	10.0
84.42701	0.7
88.07613	1.4
91.05472	4.6
93.07043	9.1
95.04942	1.1
95.08597	1.5
96.08112	2.9
97.02884	2.9
97.06534	1.4
98.97575	12.4
105.07011	3.9
107.04926	1.5
107.08579	2.1
108.08102	1.4
109.06496	1.0
110.09671	9.8
111.10444	2.5
112.07607	1.2
112.11246	7.6
114.09149	2.3
116.98631	8.6
119.08610	1.5
122.09657	0.7
124.11243	1.2
128.10722	6.5
130.06230	0.7
131.08577	1.0
133.10120	1.4
134.99651	4.1
135.08078	1.4
135.32295	0.9
136.06177	7.0
136.39586	0.7
138.12767	1.0
145.10048	0.9
147.11658	1.3
170.11780	8.3
272.93777	1.9
278.21136	16.6
290.94714	7.2
296.22186	58.8
297.22556	2.8
298.10635	1.4
299.11215	1.1
308.95691	1.6
314.13632	2.8
314.19794	6.8
314.23206	100.0
315.07529	1.2
315.10938	1.3
315.14371	0.9
315.23584	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	314.2326
Annotation	cis-4-decenoylcarnitine
Peak:m/z	Relative Intensity
52.68197	0.2
55.01882	0.4
55.05507	0.8
56.05053	1.5
56.96567	0.6
57.03431	1.1
58.06335	0.4
58.06598	4.4
64.53654	0.3
67.05509	2.6
69.07076	1.4
69.46889	1.2
70.06595	2.7
71.04976	0.5
71.07365	0.5
72.08154	1.3
76.43750	0.3
79.05494	3.2
81.07052	3.5
82.06582	1.0
83.04984	0.6
83.08621	0.3
84.08144	6.9
85.06547	0.4
86.09703	1.1
88.07622	0.7
91.05482	3.3
93.07048	5.0
94.06584	0.6
95.04978	0.5
95.08596	1.5
96.08133	1.4
97.06526	1.1
97.08915	0.4
98.09690	0.7
98.97585	2.8
105.07025	2.2
107.04961	0.4
107.08584	1.8
108.08051	0.3
109.06515	0.5
110.09669	2.3
111.08141	0.4
111.10453	0.6
112.07622	1.1
112.11215	1.3
112.64572	0.2
114.09112	0.4
116.98614	2.1
117.07023	0.5
119.08581	1.6
121.10162	0.6
123.08055	0.3
124.11236	0.4
128.10713	4.6
129.07037	0.4
130.08598	2.5
131.08553	1.1
132.10205	0.7
133.10136	1.4
134.99672	0.7
135.08076	0.9
135.35922	0.2
136.11205	0.5
142.12224	0.3
145.10127	1.2
147.11656	1.4
149.09608	0.5
157.10092	0.4
159.11674	0.4
161.09607	0.3
168.13817	1.6
170.11772	0.3
171.11699	0.3
175.11111	0.4
186.14862	1.5
209.02692	0.6
234.22130	0.6
236.20055	0.5
252.23129	0.4
254.21022	0.4
272.93518	0.3
278.21152	4.9
290.94788	2.2
296.22189	20.0
297.22495	1.1
308.95752	0.3
314.23230	100.0
315.07489	0.3
315.23535	5.4
329.69931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
56.05012	1.1
56.58426	0.8
57.07076	1.0
58.06604	4.9
62.98243	1.3
64.97030	0.8
67.05511	6.7
69.07067	6.8
69.71392	1.0
69.71712	1.9
70.06591	19.4
71.30532	0.8
71.65768	0.8
71.80579	0.8
75.09704	0.9
79.05494	2.2
81.07051	10.9
83.08627	3.3
84.08163	2.8
91.05460	1.1
93.07041	2.0
95.08617	8.9
97.10177	1.8
98.09705	2.9
98.22755	1.1
98.97580	11.5
107.72796	0.8
109.10170	3.6
116.98616	7.3
121.10248	0.8
134.99677	3.9
144.78522	0.8
170.15529	1.2
171.15746	2.0
198.14977	2.8
199.15204	4.9
206.99619	1.1
227.14824	2.0
242.18208	0.8
268.55542	0.8
268.94208	1.2
274.97617	2.2
278.24799	11.5
278.27692	1.3
290.94769	5.6
292.98615	1.4
296.25879	51.2
296.29422	4.2
297.26328	2.4
298.10605	1.1
299.11526	1.0
308.95807	1.5
311.82257	0.9
314.14017	2.1
314.26978	100.0
314.30557	16.5
315.07516	1.6
315.27356	7.0
315.30823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2689
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05508	3.1
56.05023	1.5
56.73149	1.0
56.96554	2.7
58.06592	4.1
58.73957	1.2
59.04691	1.0
62.98260	1.6
64.32983	1.1
64.39402	1.0
67.05507	5.3
69.07065	2.4
69.11325	2.5
69.11723	6.9
70.06586	2.4
71.78091	1.1
72.08141	2.2
80.94862	1.0
81.07043	6.2
84.08145	8.3
86.06089	1.9
91.13094	1.1
93.07053	2.2
95.08612	4.4
97.10186	1.3
98.09714	1.7
98.22683	2.0
98.97585	15.4
100.13116	1.1
107.08579	1.3
109.06478	1.1
109.10164	2.3
111.08094	2.1
116.98619	14.0
134.99680	5.1
143.10634	1.1
165.82442	1.3
198.11235	11.3
216.12329	6.1
219.36740	1.1
250.93115	1.4
252.78610	1.4
264.23325	1.3
268.94046	2.6
274.97559	2.9
288.52252	1.2
290.94730	9.8
296.25848	26.4
296.29156	2.6
297.26144	1.7
298.10828	2.4
299.11539	1.7
300.18988	1.2
314.13898	4.5
314.26959	100.0
314.30533	18.0
315.07626	1.4
315.27310	5.1
338.09619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.9
56.05042	0.7
57.03435	5.1
57.07069	1.9
58.02971	1.0
58.06601	5.0
67.05503	7.9
69.07072	7.2
70.06587	1.5
70.07005	1.6
71.08632	1.2
72.08152	3.0
79.05492	2.1
79.45169	0.4
81.07053	8.7
82.06553	0.9
83.04992	0.8
83.08616	4.3
84.08144	30.2
85.06573	0.5
85.10177	0.6
88.07628	1.2
93.07054	3.3
95.08609	9.3
96.08157	0.8
97.06534	2.1
97.10168	2.8
98.09707	0.6
99.08102	1.9
107.08601	2.2
108.08104	0.5
109.10161	3.1
109.36307	0.5
110.09695	3.6
111.11736	0.9
112.11246	0.9
113.09649	1.5
117.64619	0.5
118.47787	0.6
121.10144	1.4
123.11684	1.1
125.09631	0.8
128.10722	14.8
135.11649	0.9
149.13298	0.9
161.30457	0.5
162.74847	0.5
191.17697	0.5
247.24216	0.8
265.25189	1.3
278.28455	6.2
293.10748	0.5
296.29489	20.7
297.29861	1.1
314.30521	100.0
315.30835	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	314.3054
Annotation	R-Palmitoyl-(2-methyl) Ethanolamide
Peak:m/z	Relative Intensity
55.05515	1.9
56.05031	0.9
57.03424	0.8
57.07078	2.5
58.06345	0.5
58.06602	6.1
59.45031	0.4
64.42564	0.4
67.05521	1.7
69.07069	1.8
69.76441	0.8
70.06590	2.5
71.04990	1.1
71.08632	1.5
72.08147	1.4
79.05487	0.8
81.05820	0.4
81.07047	2.6
82.06563	1.0
83.04980	0.4
83.08626	1.0
84.08137	2.6
85.10168	0.5
86.09716	1.0
88.07612	1.3
93.07044	1.0
94.06567	0.5
95.08607	2.5
96.08138	2.9
97.06518	1.0
97.10176	0.7
98.97575	2.3
107.08552	0.7
108.08116	1.1
109.08892	0.4
109.10182	0.7
110.09686	2.9
114.09190	0.5
116.98640	0.9
122.09663	0.7
122.22368	0.3
123.10440	0.7
124.11237	0.9
128.10701	2.8
129.11105	0.4
132.38965	0.3
135.15836	0.4
170.46638	0.3
210.22179	0.9
212.23726	0.6
238.25316	1.7
247.36044	0.4
252.26901	0.9
265.25266	0.7
275.42084	0.3
276.26880	0.6
278.28427	10.1
279.28732	0.7
290.94659	0.4
296.29477	27.0
297.29791	1.1
314.13901	0.9
314.30518	100.0
315.30872	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	314.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79893	1.2
55.05508	4.0
56.96563	3.3
57.03433	1.9
58.06597	4.0
58.64631	1.3
62.98262	2.5
67.05499	5.3
69.07063	2.9
70.06596	1.6
70.62811	2.5
70.63145	1.5
72.08139	2.2
79.05528	1.5
81.07061	4.2
84.08133	6.3
95.08612	4.8
98.97586	17.4
109.10132	2.0
112.07563	1.4
116.98622	11.8
134.99673	6.9
240.10403	1.2
250.93106	2.1
268.94037	3.7
274.97491	4.1
290.94611	9.3
292.98492	1.5
296.25854	6.5
296.29449	21.1
298.10663	3.1
299.11484	2.8
308.95584	1.8
314.10361	2.5
314.13873	5.1
314.26849	25.0
314.30518	100.0
315.07474	3.7
315.27359	2.5
315.30911	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	314.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
53.58614	0.3
55.05512	11.7
57.03452	1.7
57.07076	13.8
58.06596	5.2
58.06853	0.4
58.07422	0.8
59.05022	0.6
60.09040	0.3
60.37328	0.3
62.05822	0.4
62.06080	2.0
62.75896	0.3
67.05526	1.0
69.07066	12.2
69.13628	2.3
70.06615	0.5
70.30975	0.4
71.08633	7.3
72.08979	0.7
81.07075	1.1
83.08617	8.5
85.10186	3.4
85.98386	0.4
86.06080	0.3
95.08647	1.0
96.08964	0.7
97.10166	6.1
98.97583	0.5
109.10166	0.4
111.11707	2.3
116.98652	0.4
119.36461	0.4
125.13296	0.5
148.66605	0.3
240.23856	0.4
258.25012	0.4
258.27914	0.4
290.94507	0.4
296.33112	100.0
297.33679	6.7
298.10788	1.0
314.14056	1.8
314.28302	7.4
314.34140	59.2
315.07434	0.5
315.10910	1.1
315.18448	0.4
315.27957	0.4
315.34482	4.5
332.99121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	1.9
60.05590	4.3
70.06594	19.3
70.06946	0.8
70.32552	1.5
72.08118	0.8
83.00956	4.1
84.09567	0.7
89.73853	0.8
97.07589	1.6
98.97528	2.9
101.01951	3.0
112.03612	5.2
112.08680	1.7
116.07037	1.6
116.98617	0.9
118.04700	3.7
119.02959	1.1
125.73420	0.8
128.05533	2.0
130.04608	2.8
132.06152	1.4
137.05615	2.2
138.03973	1.3
138.06407	0.8
139.09825	0.7
140.06633	0.9
142.08269	5.6
145.08255	1.2
150.07184	0.8
152.06706	3.8
153.05057	1.8
154.08209	3.4
155.06650	24.8
156.05038	3.2
156.06827	0.9
157.10847	1.5
158.07689	1.1
160.09311	3.1
168.06181	2.9
169.08008	1.1
169.09360	13.8
170.07768	2.4
171.06133	2.6
171.10919	27.5
171.12399	1.4
172.04611	1.6
172.09338	8.5
172.10767	1.3
172.94453	1.0
173.07727	100.0
174.06242	4.4
174.07854	3.9
174.97656	1.5
175.11873	2.4
177.01030	1.4
178.01057	2.7
179.00793	0.9
179.07753	3.3
180.06204	1.9
182.06717	1.3
186.07281	1.7
186.85080	0.7
187.05673	1.4
187.10422	8.3
187.94305	0.7
189.10236	1.2
189.11966	24.9
190.05618	0.9
190.12094	1.2
190.95238	2.5
191.08748	1.6
192.07141	1.9
192.98587	0.8
196.09309	1.2
197.08856	27.0
198.07216	3.4
198.08969	1.5
204.02696	2.1
206.31346	0.7
208.95956	1.7
209.07774	2.5
210.06172	2.4
211.09261	0.9
215.09908	78.8
216.08334	8.6
216.10185	3.3
217.90271	0.8
219.02087	4.1
220.02119	9.8
221.01797	2.8
227.08795	3.6
228.07123	4.1
229.10464	1.6
231.07634	2.1
232.96033	1.6
233.10957	27.8
233.13234	1.5
233.61909	1.0
234.11366	1.0
237.07339	2.8
238.11400	1.4
250.97089	1.6
255.08249	30.3
256.06677	2.1
261.27597	0.8
272.95956	1.9
273.09305	17.3
273.11969	1.1
274.97293	1.1
279.09518	2.9
285.08417	1.2
290.96896	3.5
291.97382	1.0
292.98242	0.9
296.10797	0.8
297.10446	50.4
298.10825	3.0
305.41296	0.8
315.11676	26.7
316.11972	1.8
333.10254	6.4
334.10364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
55.05507	10.6
56.05030	9.1
56.96569	3.9
57.03438	8.1
57.07084	5.5
58.99575	8.8
61.01141	3.5
62.98263	6.2
67.05505	9.4
68.05016	6.8
69.07069	12.4
70.06601	6.4
72.04510	4.6
74.00651	3.6
79.05483	21.5
80.05020	11.1
81.07062	45.5
82.06589	12.5
82.07384	3.8
83.08629	5.3
84.08144	7.0
85.01130	60.4
86.00652	41.1
86.09711	64.9
91.05466	7.7
93.07068	7.1
94.06568	10.2
94.23478	3.2
95.04954	3.8
95.07317	4.9
95.08620	16.2
96.08105	16.4
97.01141	4.6
97.08920	8.2
98.09693	27.3
98.97586	24.0
100.02231	3.6
105.07025	15.5
107.08615	4.0
108.08113	7.0
109.08871	3.2
110.09686	13.4
113.04230	58.2
113.09618	3.2
116.98588	18.6
122.09643	24.0
128.25496	3.4
129.07057	3.6
131.02763	3.6
132.10191	12.0
134.99663	8.7
139.05771	8.1
140.10722	36.4
141.10301	3.6
142.12315	3.7
143.12607	3.3
156.08427	87.7
157.08807	3.6
159.03320	3.6
168.10234	9.7
172.07954	14.5
186.11235	26.4
196.57321	3.3
199.09035	5.3
212.16463	12.6
218.08488	5.4
233.09526	6.8
250.93188	4.3
268.94144	12.6
269.16806	12.4
274.97537	11.1
292.98386	5.5
296.29431	6.8
298.14725	6.2
314.30542	55.5
315.07483	11.9
315.11121	7.6
315.17346	100.0
315.23004	4.7
315.30807	26.9
316.17630	4.3
316.22668	4.8
316.26093	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	315.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.3
56.05025	4.1
56.96570	2.4
57.07071	7.5
58.06596	7.9
58.81684	1.2
59.57410	1.5
62.98250	4.3
70.06596	3.2
71.08622	4.5
74.06091	11.5
74.08286	1.2
74.61160	1.5
80.94859	3.2
84.08123	1.8
88.07633	31.8
90.82443	1.5
96.01691	1.4
96.92228	2.3
98.91987	1.5
98.97584	15.9
105.03393	7.0
106.08683	4.5
116.98628	10.6
120.06582	2.7
126.92313	1.5
134.99687	3.4
149.05989	13.7
156.94861	3.2
165.64763	1.7
250.93094	3.3
268.93979	7.8
270.27777	7.1
274.97623	4.6
297.29916	5.6
312.10236	1.5
314.30377	4.5
315.07465	5.1
315.19296	100.0
315.30896	55.9
315.34097	1.5
316.19714	5.6
316.28448	42.1
316.32071	16.6
322.80756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37011	0.3
53.03949	0.5
54.59891	0.4
55.05511	0.7
57.03437	0.8
58.06602	0.9
60.04525	5.4
67.05504	1.7
68.05025	1.2
69.07076	1.5
69.77100	1.2
70.06595	35.5
71.04996	4.0
71.06924	0.6
72.04536	0.6
72.08167	2.4
72.08509	0.4
73.06553	1.0
75.04859	0.4
79.05497	1.0
80.05018	2.2
80.37038	0.4
81.03429	0.4
81.05816	0.4
81.07061	1.1
82.04217	1.5
82.06584	1.6
83.04962	1.8
83.76958	0.3
84.04494	0.4
84.08141	1.9
86.09706	20.2
87.04493	0.7
87.05589	2.2
89.19239	0.3
91.05437	0.4
93.05790	4.3
93.07042	0.5
94.06570	9.1
95.04990	1.8
95.07402	0.5
95.08608	0.5
96.08150	1.3
97.06543	1.1
98.06074	1.4
98.09699	3.4
98.97591	0.9
99.04449	1.8
100.78310	0.3
102.05553	1.2
106.06562	1.0
108.08113	1.9
109.06515	0.9
110.06018	0.8
110.09728	0.4
111.04446	0.4
111.06825	7.8
112.07626	2.2
113.06021	3.2
114.09154	1.8
116.07097	24.9
119.08610	0.5
120.08110	0.5
123.04461	1.2
124.07607	1.1
124.11236	0.5
126.09132	0.5
128.07104	0.5
128.10703	1.7
129.10260	0.6
131.08591	0.4
132.10236	0.8
136.07576	3.0
137.08389	1.3
138.08090	0.5
138.09143	10.6
138.10143	0.7
141.05501	1.0
142.12292	3.7
154.08636	3.6
155.09413	8.2
157.09752	2.9
159.06592	0.8
172.09688	44.3
173.10014	0.8
173.12862	10.3
185.09181	3.0
186.14818	0.4
199.18132	1.7
201.12341	2.4
217.35118	0.3
219.13329	0.6
226.14441	1.4
227.17564	0.7
229.15501	2.8
254.21164	1.4
256.19049	0.7
272.15057	0.7
298.20084	3.6
316.17645	100.0
316.21274	22.2
317.12155	1.0
317.17963	4.7
317.21625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1759
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
51.37011	0.3
53.03949	0.5
54.59891	0.4
55.05511	0.7
57.03437	0.8
58.06602	0.9
60.04525	5.4
67.05504	1.7
68.05025	1.2
69.07076	1.5
69.77100	1.2
70.06595	35.5
71.04996	4.0
71.06924	0.6
72.04536	0.6
72.08167	2.4
72.08509	0.4
73.06553	1.0
75.04859	0.4
79.05497	1.0
80.05018	2.2
80.37038	0.4
81.03429	0.4
81.05816	0.4
81.07061	1.1
82.04217	1.5
82.06584	1.6
83.04962	1.8
83.76958	0.3
84.04494	0.4
84.08141	1.9
86.09706	20.2
87.04493	0.7
87.05589	2.2
89.19239	0.3
91.05437	0.4
93.05790	4.3
93.07042	0.5
94.06570	9.1
95.04990	1.8
95.07402	0.5
95.08608	0.5
96.08150	1.3
97.06543	1.1
98.06074	1.4
98.09699	3.4
98.97591	0.9
99.04449	1.8
100.78310	0.3
102.05553	1.2
106.06562	1.0
108.08113	1.9
109.06515	0.9
110.06018	0.8
110.09728	0.4
111.04446	0.4
111.06825	7.8
112.07626	2.2
113.06021	3.2
114.09154	1.8
116.07097	24.9
119.08610	0.5
120.08110	0.5
123.04461	1.2
124.07607	1.1
124.11236	0.5
126.09132	0.5
128.07104	0.5
128.10703	1.7
129.10260	0.6
131.08591	0.4
132.10236	0.8
136.07576	3.0
137.08389	1.3
138.08090	0.5
138.09143	10.6
138.10143	0.7
141.05501	1.0
142.12292	3.7
154.08636	3.6
155.09413	8.2
157.09752	2.9
159.06592	0.8
172.09688	44.3
173.10014	0.8
173.12862	10.3
185.09181	3.0
186.14818	0.4
199.18132	1.7
201.12341	2.4
217.35118	0.3
219.13329	0.6
226.14441	1.4
227.17564	0.7
229.15501	2.8
254.21164	1.4
256.19049	0.7
272.15057	0.7
298.20084	3.6
316.17645	100.0
316.21274	22.2
317.12155	1.0
317.17963	4.7
317.21625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05014	0.7
56.96579	0.9
57.03439	1.8
58.06599	14.3
60.04533	0.7
64.80422	0.4
67.05495	4.1
69.03440	0.5
69.07069	3.0
69.77086	1.7
70.06585	4.0
71.04991	15.4
72.08147	5.7
72.40776	0.5
72.53105	0.6
81.03436	1.2
81.07070	1.3
82.04189	0.7
82.06552	0.8
83.04992	0.7
83.08636	0.5
84.08151	1.7
86.09710	3.5
91.05489	1.7
93.05790	1.7
93.07045	2.0
94.06570	4.5
95.04974	4.9
95.08603	1.4
96.08134	1.8
97.06528	4.9
98.06094	0.5
98.09691	11.6
98.97576	4.0
99.04457	6.9
99.08069	0.7
105.07024	0.9
107.08641	0.7
108.08137	0.8
108.34389	0.5
109.06511	0.9
110.48611	0.5
111.06801	3.4
111.08035	0.8
113.06002	11.9
114.09190	2.4
116.07092	5.2
116.98637	2.5
117.07021	1.0
119.08569	1.4
121.06509	0.7
122.09671	0.6
122.23409	0.5
123.04433	4.7
124.11232	0.7
131.08566	0.6
133.10150	0.8
134.99632	0.9
136.07607	2.1
137.08334	0.8
138.09137	5.7
139.06296	0.4
141.05486	3.9
141.07103	0.5
142.12267	15.3
143.07030	1.1
154.08632	1.5
155.09448	2.1
159.06523	5.4
172.09677	12.1
173.12889	2.3
186.14958	1.1
189.12836	0.5
201.12370	0.6
234.72128	0.5
235.13141	0.5
238.17964	0.7
244.76886	0.5
253.14375	0.5
254.21198	4.0
256.19009	1.4
274.97577	2.3
280.19131	1.3
288.91885	0.6
292.94968	1.2
292.98587	1.4
298.20126	12.6
298.23505	0.7
310.95969	1.1
316.17554	40.0
316.21210	100.0
317.12277	0.8
317.17838	2.0
317.21570	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	316.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	5.6
70.06580	4.1
71.08629	14.1
81.07071	4.7
85.02901	8.0
86.03201	4.0
95.08598	23.1
98.09706	6.4
98.97575	36.3
99.08088	10.5
108.08099	4.5
116.10711	22.6
116.98612	29.5
122.09622	6.6
134.99651	13.7
143.10674	24.5
182.11813	4.6
200.12807	100.0
214.18002	44.9
218.13857	10.8
229.13358	3.9
250.01538	3.8
258.05408	3.7
274.97571	20.6
279.70126	4.3
288.92111	7.1
292.94727	13.8
292.98245	6.6
298.20132	14.1
298.23447	5.3
310.95905	11.2
316.07623	5.2
316.21420	17.9
316.24756	13.1
316.28506	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34415	0.3
55.01868	0.4
55.05508	1.2
56.42192	0.3
57.03429	1.5
58.06622	0.4
67.05508	2.0
69.07066	1.5
70.06593	0.9
71.04987	0.4
72.08143	1.3
73.12972	0.3
75.05607	0.4
76.81052	0.3
79.05496	1.3
81.07050	3.0
83.04945	0.3
83.08613	0.5
84.08141	1.0
85.40642	0.3
86.09705	100.0
86.39333	0.3
87.10051	1.3
91.05457	0.6
93.07055	1.4
95.08617	2.1
97.06506	0.5
98.09675	1.9
98.97594	1.1
99.08089	0.5
105.07016	0.5
107.08601	1.1
109.10111	0.6
109.22289	0.3
116.98594	0.4
119.08528	0.6
121.10128	0.8
123.11730	0.5
133.10075	0.5
135.11711	0.5
142.12265	0.6
143.11794	38.4
144.12247	0.7
146.11758	45.6
147.12070	0.9
171.11281	8.9
181.94798	0.4
203.40785	0.4
231.09761	0.4
259.20197	0.7
274.97482	0.5
280.22723	0.8
284.19678	0.6
292.94968	0.5
298.16653	0.4
298.23856	1.4
298.27426	2.9
316.24768	4.4
316.28467	17.3
317.29053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
52.22173	1.9
56.96556	2.5
69.07060	2.1
70.06575	2.8
70.91087	2.6
80.52850	2.2
81.07053	2.1
84.04506	2.1
84.08138	3.7
86.09700	100.0
87.04411	2.2
95.08562	2.2
98.97581	17.5
110.09668	4.3
112.11250	3.7
116.98613	13.1
128.10724	12.7
130.06541	7.1
132.08096	5.2
132.10187	5.3
132.65720	1.7
134.99661	6.3
136.53796	2.0
146.05986	3.0
157.13361	57.1
167.47311	1.8
185.12830	29.1
186.13174	2.4
188.07069	6.4
196.63654	1.9
205.09758	2.0
238.21608	4.9
244.90654	1.7
245.18578	2.4
256.22687	1.8
270.12427	2.9
274.97488	8.6
288.92166	2.1
292.94684	5.8
292.98572	7.4
298.23672	8.5
310.95807	4.6
316.24805	57.0
316.28503	2.8
317.25244	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	316.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.05031	0.5
57.03436	0.9
67.05495	2.5
69.07072	1.7
69.25589	2.0
70.06592	1.2
71.04999	0.5
71.39345	0.3
72.08161	1.4
75.05597	0.5
77.59570	0.3
79.05489	1.2
81.07059	3.7
83.08642	0.7
84.08148	0.9
86.09706	100.0
87.10036	1.3
87.76399	0.3
91.05456	0.6
93.07044	1.5
95.08598	1.8
98.09703	2.3
98.97591	1.3
99.08142	0.4
105.07024	0.6
107.08604	0.9
109.10160	0.9
116.98631	0.6
119.08581	0.5
121.10156	0.7
125.09651	0.4
126.87966	0.3
135.11710	0.4
142.12263	1.0
143.11797	41.4
144.12160	0.8
146.11757	46.9
147.12013	1.1
149.13248	0.4
171.11292	9.6
259.20166	0.6
274.97580	0.3
280.22812	0.4
284.19730	0.5
292.94910	0.3
298.23703	1.2
298.27380	2.7
299.27539	0.4
316.24686	5.1
316.28406	17.3
317.28839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2272
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.03941	2.5
55.05506	7.2
56.05023	3.8
57.03423	4.6
58.06338	1.3
58.06599	17.8
59.36524	1.1
65.03930	2.2
65.55855	1.0
67.05514	9.8
69.07062	4.5
69.23040	7.0
70.06579	7.1
72.08134	1.1
74.06071	6.9
77.03915	1.8
79.05501	11.2
81.07056	7.5
82.06560	3.0
83.08602	1.5
91.05479	18.9
93.07065	6.2
94.06548	2.2
95.04968	4.5
95.08604	4.9
96.08142	2.3
97.06534	1.5
98.23408	2.7
98.34424	1.1
98.97586	5.4
101.03928	2.2
101.06037	1.6
101.83670	1.3
103.05463	4.5
105.04520	2.0
105.07033	7.4
107.08594	1.5
108.08222	1.1
109.10121	2.0
110.09695	1.2
111.04412	1.2
115.05451	14.9
116.98656	2.0
117.07047	5.4
118.06532	1.5
119.08556	3.0
121.10168	2.1
127.05401	1.5
128.06219	35.7
129.07024	19.8
131.08595	6.2
133.10118	1.7
135.11670	1.7
141.07004	14.0
142.07814	5.5
143.07501	1.2
143.08539	6.4
145.06525	2.2
145.08914	1.8
145.10123	1.8
146.09567	1.4
152.06216	4.0
153.06949	7.7
154.07765	4.4
155.06026	5.2
155.07370	1.5
155.08556	8.1
156.08095	1.6
156.09303	1.5
157.08902	1.7
157.10081	2.3
158.09691	1.5
165.06993	7.1
166.07779	3.0
167.08554	5.5
169.06493	1.2
169.08772	1.3
169.10094	2.4
170.09601	1.6
178.07779	3.2
179.08530	2.1
180.09323	1.5
181.10124	2.4
182.09639	2.2
183.11815	1.5
191.08705	1.2
191.18005	1.4
193.10048	1.6
209.19044	1.7
255.78464	1.1
272.35770	1.2
274.97379	1.8
280.20584	26.5
280.26175	2.3
281.20856	1.4
281.24744	1.5
283.93915	1.2
298.21671	25.3
298.27423	4.5
316.22711	100.0
316.28281	5.3
317.23029	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	316.2272
Annotation	Bremazocine
Peak:m/z	Relative Intensity
55.05511	14.6
56.96272	3.4
56.96555	4.8
57.03425	6.2
58.06595	5.0
64.94346	2.9
67.05507	19.6
67.34521	3.2
68.51789	3.0
69.07068	14.7
70.03631	9.0
70.06594	20.6
72.08163	6.6
77.03925	3.6
79.05504	22.0
81.07039	21.6
83.08630	8.4
84.08134	3.5
85.02908	8.7
86.09697	4.0
87.04466	3.8
91.01832	18.6
91.05494	17.4
93.07037	20.8
95.04964	8.7
95.08606	14.1
97.10199	3.8
98.09677	5.6
98.97592	24.3
101.03902	5.2
103.05452	5.3
105.07039	11.8
108.08108	3.8
109.10181	7.9
115.05470	11.4
116.06309	3.7
116.10760	4.5
116.98634	16.5
117.07022	7.1
119.04948	9.9
119.08594	9.9
121.10152	7.9
123.11718	4.1
124.11301	3.6
128.06233	9.3
129.07021	9.8
130.07762	3.4
131.08571	7.9
133.10139	3.7
134.09587	3.2
134.99660	4.1
141.06978	4.1
142.07762	5.0
143.08560	4.3
144.08032	4.0
145.08876	5.3
145.10136	3.2
146.00471	3.3
151.00702	3.5
153.06981	4.7
155.08620	6.4
157.08873	3.8
157.10091	4.3
158.09689	10.4
159.08032	4.3
160.09718	3.5
169.06532	3.4
170.09666	4.8
171.07976	3.3
171.10329	4.2
172.11241	4.2
179.08627	3.9
274.97565	9.1
277.02795	3.4
280.26328	12.2
285.12390	7.1
292.98499	4.9
297.30112	3.3
298.21704	100.0
298.27112	21.4
299.22238	4.0
316.22827	66.5
316.28714	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	316.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44436	2.3
51.02384	2.3
55.05506	9.9
56.05034	19.1
57.03442	6.9
58.06599	4.9
65.03936	4.0
67.05495	12.7
69.07072	5.1
70.06599	21.8
72.08157	3.5
74.06081	100.0
75.02367	2.4
77.03929	2.1
79.05499	20.4
81.07059	12.2
82.06586	6.7
83.08629	2.9
84.08161	6.3
91.01875	2.2
91.05481	22.9
93.07052	8.8
94.06560	2.7
95.04977	6.6
95.08612	6.9
96.08131	7.4
98.97603	14.9
100.07623	2.7
101.03928	4.1
103.05496	4.1
105.07014	11.5
106.06526	2.1
107.08607	4.5
115.05463	25.9
116.85996	1.8
116.98639	9.7
117.07011	8.1
119.08604	5.8
120.08122	2.9
121.10190	2.7
126.77936	2.0
127.05447	3.1
128.06238	30.0
129.07028	18.2
131.08588	5.4
132.08130	4.3
134.99706	2.5
141.07001	18.5
142.07797	5.9
143.08546	6.4
144.08096	3.8
145.06480	2.4
145.10048	3.5
152.06161	3.9
152.81810	2.2
153.06999	12.9
154.07777	4.5
155.06088	2.7
155.08574	9.0
156.08121	2.5
158.09679	3.6
165.07019	15.2
166.07787	4.3
167.08630	10.5
168.08057	2.6
168.09337	3.3
170.09598	3.9
178.07782	4.0
179.08545	5.8
180.09543	2.5
181.10100	2.9
182.09601	2.8
184.11269	2.7
191.08687	2.9
193.10167	2.6
196.11217	3.9
223.14781	2.8
274.97644	4.7
280.20599	62.8
280.26395	2.7
281.21274	3.0
292.94678	3.0
292.98535	3.7
298.21655	86.9
298.27481	6.0
299.22043	6.5
316.19159	3.3
316.22763	38.7
316.25906	5.6
316.28516	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	316.2482
Annotation	Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
50.48878	0.2
55.01870	0.5
55.05515	1.4
56.05019	0.7
57.03437	7.7
58.06601	0.5
59.18900	0.2
67.05161	0.3
67.05502	4.3
68.05025	0.3
69.07069	3.7
69.69591	0.2
70.06586	1.8
71.04974	0.8
72.04503	0.7
72.08154	4.5
80.05350	0.2
81.07056	5.5
82.06544	0.2
83.04969	0.7
83.07355	0.3
83.08605	1.1
84.08131	0.8
85.06548	0.3
85.08919	0.4
86.09715	1.9
91.05468	1.3
93.07039	3.1
95.04988	0.6
95.08604	12.0
96.08150	0.2
96.08903	0.3
97.06526	2.8
97.10151	0.3
98.09689	12.5
98.97572	0.2
99.08077	1.8
102.09184	0.7
105.07044	1.4
107.04974	0.2
107.08569	1.8
109.06519	0.9
109.10147	1.0
110.09668	0.4
111.08087	0.8
113.05943	0.3
113.09628	2.0
114.12791	0.3
115.07577	0.4
117.07011	0.5
119.08573	1.7
121.06491	0.3
121.10142	1.8
123.08060	0.8
124.11231	0.5
125.09627	0.6
125.73898	0.2
128.10757	0.2
129.06976	0.3
131.08557	0.5
133.10117	1.4
135.08040	0.3
135.11673	1.1
137.09608	0.9
139.07469	0.3
139.11203	0.3
141.09119	0.9
142.12276	5.3
143.08603	0.2
143.12617	0.2
145.10129	1.0
147.11703	0.4
149.09689	0.3
149.13287	0.2
157.10112	0.4
157.13368	0.8
158.15363	0.3
159.10167	0.9
159.11684	0.6
161.13255	0.6
163.11160	1.2
175.11096	0.2
175.14897	0.2
177.12750	0.2
179.14342	0.4
184.56845	0.2
185.12810	0.4
189.16302	0.2
194.28902	0.2
199.14752	0.4
217.15868	0.5
226.18034	0.2
227.55153	0.2
235.16933	0.6
247.15129	0.2
253.18039	0.5
254.17499	5.9
255.17764	0.3
255.31259	0.2
256.19070	0.3
280.22714	0.8
298.20129	2.4
298.23752	6.7
299.24112	0.3
316.07959	0.7
316.24796	100.0
317.25146	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2482
Annotation	O-Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
51.79126	0.2
55.05502	0.8
56.05042	1.2
57.03448	1.3
58.06596	2.8
67.05503	2.8
69.07058	0.9
69.71441	0.4
69.71851	0.7
70.06590	1.7
71.04971	0.3
71.07375	0.4
72.08162	1.2
81.07059	3.7
83.08630	0.6
84.08143	6.3
85.06528	0.6
86.09695	1.3
88.07633	0.5
91.05508	0.4
93.07051	1.8
95.08603	2.7
96.08131	0.3
97.06508	0.3
98.09683	0.8
98.22750	0.5
98.97567	0.8
105.06997	0.8
107.08578	0.9
109.10132	1.2
110.09680	0.3
111.10441	0.4
112.11221	1.1
116.86618	0.2
116.98602	0.3
117.07027	0.3
119.08588	0.4
121.10150	0.6
135.11690	0.4
138.12177	0.2
144.10188	0.6
145.89505	0.2
157.13397	0.3
184.85490	0.3
185.12827	0.3
229.87553	0.3
236.23711	5.5
237.24097	0.2
238.21643	17.3
239.22073	0.5
254.24774	4.9
256.22687	5.7
262.21570	0.4
280.22742	0.9
298.23743	12.7
299.23941	0.6
316.24796	100.0
317.25137	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	316.2484
Annotation	Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
55.05509	1.0
56.05032	1.6
56.66985	0.2
57.03427	0.6
57.05809	0.3
58.06601	19.7
60.49455	0.2
60.55456	0.2
67.05500	1.3
69.03444	0.3
69.07066	0.9
69.23764	0.4
69.24180	0.9
70.06593	1.2
72.08155	3.3
81.07059	2.3
82.06594	0.2
83.08597	0.6
84.08145	0.5
85.06542	0.3
88.07623	0.7
91.05471	0.4
93.07051	0.5
95.08604	2.1
96.08120	0.5
97.06520	0.5
98.09717	0.3
98.22677	0.3
98.97581	0.7
100.07605	0.6
105.07060	0.2
107.08581	0.8
108.08112	0.6
109.10136	0.4
110.09663	0.5
115.92061	0.2
116.98619	0.5
119.08617	0.4
121.10129	0.4
131.08551	0.2
136.59816	0.2
147.11678	0.3
196.16968	0.8
214.18021	0.7
254.21095	1.3
262.21735	0.3
274.97577	0.3
280.22723	4.9
281.22995	0.2
290.87497	0.2
298.23773	4.9
299.24033	0.2
316.24808	100.0
317.25153	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	316.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41607	0.2
53.16376	0.3
55.05518	0.6
56.05043	1.4
57.03430	0.9
58.06602	2.4
67.05506	3.3
69.07075	0.7
69.75990	0.6
69.76336	0.6
70.06595	1.7
71.04965	0.4
72.08151	0.5
81.07066	3.3
82.06583	0.8
83.04965	0.5
83.08627	0.5
84.08149	4.2
85.06508	0.3
86.09704	5.0
88.07642	0.3
91.05499	0.6
93.07051	1.6
95.07352	0.6
95.08614	1.9
96.08110	0.9
97.06553	1.4
97.08917	0.5
98.23422	0.3
98.97595	2.4
107.08591	1.4
108.08134	1.0
109.10186	1.4
110.09684	8.0
112.11241	7.5
116.98621	1.9
121.10166	0.5
126.12845	0.3
128.10719	25.4
129.11086	0.8
133.10161	0.4
134.99680	0.6
144.10201	0.3
157.13380	1.6
185.12811	1.5
203.13959	0.5
204.39397	0.3
236.23701	0.8
238.21710	2.1
254.24673	0.7
256.22635	1.1
262.21603	0.4
274.52631	0.3
274.97498	1.4
280.22705	4.7
288.92126	0.5
292.94800	0.9
292.98087	0.5
298.23770	11.4
299.23898	0.4
310.95856	0.6
316.24820	100.0
317.25122	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	316.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58937	0.2
55.05505	0.4
56.05020	0.3
57.07077	7.4
58.06596	0.6
60.04537	0.6
62.06075	0.7
67.05492	0.6
68.05002	0.3
69.07082	0.4
69.66727	0.9
70.06594	12.4
71.08631	3.4
72.04504	0.7
81.07030	0.4
84.08157	0.5
85.10184	1.5
86.06056	0.4
87.07202	0.3
88.07632	16.3
95.08610	0.3
98.97578	1.1
102.09174	3.6
106.08665	11.2
112.37498	0.2
116.98608	0.8
241.99835	0.3
254.28424	0.4
272.29404	0.8
274.97519	0.6
288.92337	0.3
298.31042	6.8
299.31503	0.3
316.18826	6.3
316.22479	5.1
316.32098	100.0
317.17072	5.2
317.22742	0.5
317.32452	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
54.12514	1.6
55.01877	2.0
55.05517	6.3
56.19484	1.6
57.03430	12.1
57.07063	3.4
57.19578	1.7
60.04515	3.4
65.03935	2.2
67.05510	28.8
69.03419	4.0
69.07063	9.4
70.06605	2.6
72.08181	1.8
79.05514	7.1
81.03421	67.5
81.07061	30.3
81.07502	2.6
82.03731	2.1
83.04977	7.6
83.08619	5.2
86.62126	1.7
88.07626	3.0
91.05460	8.6
93.07051	9.3
95.04970	100.0
95.08602	18.8
97.06539	2.1
99.08096	7.5
105.07031	13.0
106.70585	1.6
107.04975	4.7
107.08575	11.3
109.06525	13.9
109.10161	17.7
113.09602	2.1
117.07027	2.7
118.64737	1.6
119.08543	10.7
121.06482	7.9
121.10123	9.7
123.04439	13.3
123.08047	15.2
123.11705	43.2
131.08569	7.5
133.06508	2.7
133.10161	7.1
134.99681	1.8
135.08067	8.1
135.11717	4.8
137.09631	4.8
137.13229	11.1
139.07529	1.9
141.05502	4.5
143.08586	2.2
145.06540	6.0
145.10143	5.1
147.08064	4.5
147.11719	6.2
149.09679	2.9
149.13368	3.4
151.07513	1.5
151.11258	1.5
155.08586	2.5
157.10141	3.1
159.08156	2.7
159.11696	3.7
161.09683	4.4
161.13254	5.1
161.72099	1.6
163.11151	2.8
165.12756	16.0
171.08073	1.8
171.11758	2.7
173.09595	2.2
173.13287	2.0
175.11154	1.6
177.12834	1.4
177.16380	4.1
179.07167	2.6
179.10597	1.8
183.11682	2.0
185.13254	1.9
187.11307	4.3
187.14891	1.9
195.17488	1.8
197.13315	3.5
199.11234	1.9
199.14822	2.5
205.15887	17.1
211.11198	2.0
215.14374	2.2
217.15826	2.6
225.16364	1.9
231.17383	2.4
243.17587	4.0
247.82828	1.7
271.20615	5.4
281.19046	5.9
299.20044	21.7
316.32068	3.0
317.18036	3.1
317.21054	61.5
317.24622	4.5
317.32370	11.8
318.24344	8.6
318.30176	4.6
335.19302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
56.05031	1.9
56.96568	3.6
58.06605	0.4
67.05487	0.6
69.07056	0.4
70.06601	3.0
70.98108	0.6
71.06123	0.4
71.44313	0.3
72.08155	20.3
73.08473	0.6
74.02435	0.4
81.62177	0.4
82.06565	0.8
83.06119	0.7
84.04511	0.8
84.08142	99.5
85.06538	0.5
85.08466	1.7
86.09704	13.7
87.05584	0.6
88.99205	0.5
90.05546	0.9
98.97579	2.1
101.10783	3.7
102.09210	0.5
105.90443	0.4
110.06017	0.5
111.09180	1.0
112.07558	0.6
116.98607	1.3
124.14746	0.4
127.08689	0.5
128.98642	1.1
129.10240	100.0
130.08635	2.3
130.10567	1.5
132.10182	1.3
133.06059	2.2
134.99634	0.5
138.05508	3.1
139.08627	0.4
141.10263	0.9
143.11777	2.9
144.10219	1.2
146.99652	1.1
147.07620	1.0
147.11284	3.9
152.14365	0.5
154.94205	0.8
156.06555	1.8
157.13368	2.8
160.06447	0.5
161.02962	0.5
165.00783	0.6
169.09697	0.9
171.11311	0.5
172.97624	0.4
175.00891	0.6
175.11826	0.5
177.00926	0.5
182.12886	0.6
183.11322	0.8
183.14871	2.2
184.09625	0.4
185.12894	1.4
186.12392	2.7
187.07236	0.4
189.12357	0.7
190.98634	0.5
196.95160	0.6
197.16447	1.1
200.13913	0.7
201.12320	3.2
203.02525	1.2
204.13533	0.5
205.00314	0.5
206.02606	0.5
206.05272	0.4
206.06892	1.9
211.14467	0.6
214.07428	0.4
218.14986	8.7
221.01755	0.7
222.01939	1.5
224.08022	1.6
228.13452	0.9
228.17076	10.3
232.96465	0.6
239.65596	0.4
242.18646	0.8
246.17979	0.9
258.99887	0.4
264.07587	0.9
269.77841	0.4
274.97491	0.8
276.07684	1.0
282.18127	0.8
292.98508	0.7
294.08713	0.5
299.17288	0.7
299.20694	0.8
300.19266	0.8
303.17590	0.4
316.23322	0.5
317.06308	1.1
317.09506	0.8
317.21884	31.0
318.22348	1.8
335.10355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01880	2.3
55.05516	1.8
56.05033	0.9
56.96553	1.2
57.03441	6.2
57.05785	0.5
58.06606	3.9
59.23665	0.5
60.04527	13.7
61.02931	4.5
67.05502	4.3
69.03430	9.6
69.07067	6.0
70.06588	7.3
70.98119	1.2
71.04987	3.3
71.29487	0.5
71.43266	0.6
72.08153	14.8
73.02917	1.9
74.06075	1.0
74.97598	0.6
77.03951	0.6
79.05496	6.4
81.03425	4.7
81.07049	6.6
82.06577	1.4
83.04996	2.0
83.08636	0.9
84.04541	0.6
84.08146	3.1
85.02904	37.9
85.06525	1.0
85.08467	0.5
85.08958	0.6
86.09705	43.0
87.04468	1.1
87.05579	6.4
87.10056	1.0
88.99160	1.2
89.07140	0.5
91.03953	1.7
91.05476	5.0
93.07050	9.0
95.04964	3.0
95.07339	0.8
95.08601	6.2
96.04482	1.9
96.08134	3.0
97.02330	0.9
97.02896	10.5
97.05276	1.6
97.05988	0.6
97.06534	3.6
98.09686	9.4
99.04455	2.8
99.08095	1.9
100.07613	1.7
102.09164	1.2
103.03954	0.5
103.05453	3.0
104.07132	0.8
105.04498	0.5
105.07137	2.5
107.04965	1.3
107.08595	1.9
108.08073	0.7
109.02885	2.8
109.06511	1.4
109.10149	0.6
110.06042	4.5
110.07154	1.0
110.09678	4.2
111.04463	0.6
111.08105	1.5
113.06018	0.9
113.08420	1.4
114.09121	0.7
116.07131	0.5
117.07016	1.4
118.08686	2.0
119.08610	2.6
120.08103	1.5
121.06505	100.0
121.10157	1.3
122.06069	0.5
122.06805	2.5
123.04288	0.5
123.08081	1.2
124.11241	0.6
125.05962	5.0
125.08385	0.8
126.09156	6.2
127.03909	7.2
127.07570	0.8
127.08678	2.6
128.10719	7.7
129.10254	1.6
131.08569	1.1
133.06494	1.0
133.10114	1.2
135.08054	1.7
135.11682	0.8
138.05464	1.5
138.09138	15.1
139.07542	12.9
140.10690	0.8
142.12306	2.3
143.07010	1.1
144.10231	1.1
145.04962	8.1
145.06512	0.9
145.10120	0.6
146.99597	0.6
147.08078	0.9
149.05957	1.4
151.07578	1.6
155.08144	2.0
156.10201	82.7
156.13815	2.0
157.06410	0.6
157.08629	0.6
157.10608	2.0
158.99649	0.8
159.07993	1.2
159.11427	1.1
161.01228	1.3
163.06137	1.0
163.07542	3.2
168.10260	1.2
173.06122	0.5
173.12857	50.9
174.11258	14.8
174.12950	0.7
175.07500	0.8
177.00722	0.5
179.02312	1.1
180.08740	2.4
180.10165	0.6
183.08002	0.6
187.07498	3.4
189.09091	0.9
201.12344	16.9
205.08609	1.8
205.11842	0.7
209.11815	0.5
219.01807	1.7
229.08572	1.2
231.17107	0.6
235.09581	0.7
238.21677	2.0
240.19589	4.8
247.09727	4.5
249.02809	1.6
256.22696	1.8
261.12579	0.7
265.10602	1.8
282.20593	1.2
300.18658	0.8
300.21692	15.5
302.12411	0.6
318.15228	4.5
318.19064	16.9
318.22699	87.1
319.15775	1.0
319.23071	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	318.1813
Annotation	Ile Trp
Peak:m/z	Relative Intensity
67.05477	0.5
69.06709	0.9
69.07067	14.0
69.92278	1.8
70.51658	0.6
83.23113	0.6
86.09702	100.0
87.10045	1.5
91.05507	0.5
116.98659	0.8
118.06545	5.1
121.02882	0.7
130.06538	2.2
132.08139	2.4
141.10223	1.8
144.08067	4.3
146.05997	19.5
147.06248	0.7
159.09166	3.4
161.67488	0.6
166.91502	0.5
170.06030	1.5
173.57472	0.5
188.07062	46.4
189.07414	2.0
205.09718	36.0
206.10052	1.3
272.17587	0.6
277.12836	0.6
300.21738	0.7
318.08612	1.6
318.18149	12.3
318.22437	1.7
318.25900	3.1
319.05933	2.7
319.09537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2027
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05513	7.9
56.05025	2.2
57.03421	1.0
58.06593	3.5
60.04526	33.6
65.19509	1.0
67.05510	1.7
69.07057	1.4
70.02956	2.9
70.06593	2.9
70.32345	2.5
71.04986	1.8
72.08155	96.9
73.08489	1.1
73.91455	0.9
74.06073	4.1
79.05515	1.3
81.07056	3.7
82.06543	1.2
84.04522	1.6
84.08152	1.6
85.02892	2.0
86.09705	73.8
87.05590	22.5
87.10017	1.1
91.05485	1.9
93.07043	2.4
94.06597	1.0
95.04940	2.2
95.08612	2.4
96.08104	2.7
97.06564	1.5
98.09685	3.6
100.07648	1.2
101.07136	2.4
110.09687	1.1
114.09178	14.7
118.08680	3.2
120.08083	1.7
128.10728	6.4
130.67221	1.0
132.10172	10.2
137.05992	1.0
138.05531	1.1
141.10277	1.0
142.12259	1.6
142.86612	1.0
144.10228	2.6
156.13823	2.6
159.11292	100.0
160.11636	2.8
173.12854	65.4
174.11273	2.7
174.13225	1.8
187.10793	42.2
187.14377	16.6
188.11133	1.4
201.12338	20.4
215.13918	5.4
219.13391	10.8
222.18636	1.2
231.17157	3.1
240.19702	2.2
242.56834	1.2
256.22656	1.2
260.86627	1.0
264.19604	1.4
282.20676	2.7
293.31638	1.0
300.21649	12.2
318.19473	2.7
318.22766	41.3
319.23117	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	318.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01861	0.4
55.05519	1.0
56.05029	0.6
57.03181	0.3
57.03439	5.1
58.06599	0.4
67.05499	1.9
69.03434	0.3
69.07065	2.3
69.13721	1.4
70.06583	0.6
71.04982	0.7
72.04507	0.4
72.07790	0.3
72.08156	4.5
72.88287	0.2
73.06551	0.3
79.05496	5.3
80.05822	0.2
81.03398	0.7
81.07052	3.7
83.04989	2.0
84.08128	0.5
85.06535	0.5
85.08898	0.3
86.09715	1.3
91.05476	2.1
92.33991	0.2
93.07040	3.3
95.04959	1.7
95.08598	3.4
96.08144	0.2
97.06525	3.7
98.09692	9.7
98.23420	0.5
99.08108	1.7
99.10027	0.2
102.09192	0.6
105.07027	2.5
107.04932	1.1
107.08589	1.0
109.06508	0.4
109.10134	0.4
111.04452	0.4
111.08075	0.3
113.06017	0.3
113.09632	0.9
117.07024	0.9
119.08572	2.5
119.16241	0.2
121.06487	0.3
121.10146	1.2
123.04445	0.2
123.08074	1.0
124.11246	0.4
125.05984	6.5
125.09538	0.2
129.05453	0.4
131.08563	0.7
133.10130	0.9
135.07993	0.4
135.11658	0.6
137.09575	0.3
142.12259	3.4
143.07033	1.4
143.11787	0.3
145.10063	0.4
147.08047	0.8
149.13237	0.6
159.11676	1.2
161.09668	0.3
163.11214	0.5
171.23013	0.2
173.13203	0.2
174.11221	0.5
177.12723	0.6
183.11711	0.2
191.14246	0.3
195.13853	0.7
201.12558	0.5
219.13805	0.5
222.18488	0.3
237.14804	0.3
238.21616	0.6
240.19557	2.6
256.22815	1.1
258.20615	0.9
282.20572	0.6
300.21677	6.2
301.22037	0.3
318.22736	100.0
319.23090	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	318.3005
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05513	14.1
57.03466	1.8
57.07073	2.2
58.06601	4.7
63.84349	0.4
65.03966	0.7
67.05505	15.7
69.07069	15.4
70.01697	0.8
70.06593	5.7
71.05007	1.1
71.08662	0.7
79.05492	3.4
81.07055	17.6
83.05048	0.5
83.08616	8.6
83.84901	0.5
85.06561	1.0
87.96192	0.5
93.07040	3.7
95.08602	19.8
97.06508	0.7
97.10165	4.6
107.08611	2.6
107.79484	0.4
109.10161	8.7
109.10860	0.5
111.11742	1.0
116.98740	0.5
121.10162	3.2
123.11760	2.1
124.07607	0.8
126.43987	0.4
135.11734	2.1
138.05566	0.5
149.13306	1.1
165.16348	1.0
247.24255	0.8
252.26849	1.8
264.26923	7.5
265.25168	1.1
282.27905	49.5
283.28400	2.6
300.28964	71.9
301.29272	3.3
318.30008	100.0
319.30325	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	319.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47005	0.6
55.12039	0.6
56.05037	5.5
57.05806	1.2
58.06604	0.9
60.05624	1.3
67.81023	0.6
69.04531	1.3
70.06576	2.3
72.08128	1.3
79.05485	1.0
83.06090	2.8
83.06541	0.6
87.72668	0.6
95.06054	2.2
98.09658	1.2
99.07995	0.7
105.04382	0.6
105.05750	1.0
106.06571	1.0
111.05556	6.4
112.08698	1.2
113.07150	3.1
118.27673	0.6
120.04436	2.9
123.05539	1.1
126.06607	3.0
127.07401	1.7
128.08224	0.7
132.04448	10.8
132.08066	1.1
134.06004	3.1
140.08163	2.6
148.03900	1.1
150.05513	6.0
151.06131	6.6
162.05466	0.7
165.06540	1.4
174.05458	1.0
176.07068	2.2
187.08640	3.4
189.06593	1.0
202.09763	3.2
203.08206	3.1
211.36694	0.7
216.11238	1.0
226.99911	0.7
230.09305	3.3
231.07623	24.4
232.08064	0.8
232.10646	1.3
233.09206	1.5
233.14014	6.5
234.12285	0.8
242.09177	1.7
246.08694	1.2
254.99419	0.8
257.10376	4.2
257.22812	0.7
259.11914	23.5
260.10083	1.7
277.12952	84.1
278.13239	2.7
284.11377	5.6
301.14081	2.1
302.12460	45.1
303.12842	1.9
318.22812	5.0
319.15121	100.0
319.22958	12.5
320.15436	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	320.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18630	1.4
55.01872	2.6
55.05519	9.6
56.96434	1.3
57.03450	5.7
58.07636	1.4
67.05508	23.2
69.07071	15.9
70.06588	1.7
70.85644	2.8
71.04996	3.3
74.82928	1.4
79.05491	11.0
81.07059	79.8
83.04993	5.3
83.08630	9.7
85.06557	4.3
91.05466	16.9
93.07043	12.7
95.04971	4.2
95.08617	15.8
97.06535	6.5
99.08099	2.1
105.07031	34.9
106.71453	1.3
107.08596	11.0
109.06522	7.3
109.10163	2.5
111.08099	2.5
119.08591	25.7
121.10153	21.2
123.08086	3.5
123.11714	37.1
125.09552	1.8
127.07493	3.6
133.10152	2.5
135.11752	2.0
137.09732	1.9
137.13237	2.3
141.09094	2.5
147.11687	72.7
148.11992	1.8
157.10208	2.8
165.12758	37.6
166.13136	1.7
175.11229	3.8
183.13849	7.4
193.12285	3.6
211.13344	2.0
228.75668	1.5
229.14383	16.0
267.15915	69.2
268.16290	2.4
285.16971	100.0
286.17172	3.6
320.18451	4.6
320.25882	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	320.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	6.7
57.07037	0.9
58.06546	4.4
65.03878	0.6
69.07065	6.6
69.23769	3.4
70.06550	1.0
72.96329	0.6
74.13442	0.6
76.69930	0.5
81.07013	1.0
83.08607	3.2
90.43696	0.5
91.05479	34.5
91.06041	1.2
92.05762	1.1
97.10166	2.9
98.22709	1.1
105.07019	4.5
111.11650	0.9
117.07018	3.9
119.08552	1.0
131.08556	6.1
145.09982	0.6
157.50311	0.6
166.95656	0.6
232.95819	0.5
246.02559	0.6
302.28415	100.0
303.28876	5.8
320.29477	42.9
321.29843	3.4
342.46722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0947
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
67.50840	4.4
70.70529	5.5
101.00902	8.4
113.00903	5.2
119.01932	4.6
119.92542	5.6
166.62947	4.3
190.01210	5.8
201.02512	10.8
219.03508	10.7
231.03534	6.0
233.05133	4.5
321.09027	100.0
322.05429	13.6
322.09448	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	321.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75861	2.0
56.96587	2.4
62.94278	2.6
68.47316	1.7
70.06588	2.7
70.73484	3.4
70.99858	2.5
73.01402	2.3
76.83298	2.3
82.99830	12.0
83.00988	2.4
84.08145	2.4
90.66917	2.0
91.02435	3.0
97.01378	5.0
98.97581	5.8
99.02956	3.0
101.00881	90.9
101.59792	1.9
102.00947	4.7
113.00880	21.3
115.02431	25.1
117.04025	3.6
119.01923	97.9
119.92516	5.7
120.02017	4.5
126.98811	3.5
127.02393	3.7
129.04013	6.0
131.01921	34.4
133.03456	42.1
136.07584	2.1
137.00761	2.2
137.02942	10.9
143.01883	24.1
144.99866	3.2
145.03453	10.8
147.01384	2.1
147.05020	3.7
149.02966	7.4
151.04538	6.2
155.01878	13.7
157.03471	3.4
159.01427	2.8
159.05064	8.0
161.02971	27.2
168.99829	24.5
171.01357	10.9
171.05063	12.6
172.01773	2.1
173.02927	24.9
175.04553	27.5
177.02351	4.3
183.01433	3.3
185.02953	3.0
187.00885	51.7
187.04556	4.2
189.02448	21.3
189.06134	2.5
191.04013	20.7
195.05209	2.6
196.99342	17.1
201.02475	6.2
201.06090	4.5
203.04048	8.8
205.01950	11.1
213.06200	3.0
215.00369	54.2
216.00632	4.0
217.01941	3.2
219.03505	7.8
219.07243	3.1
221.05089	16.0
229.01910	31.7
231.03464	5.8
231.07005	2.3
233.01419	5.4
233.05067	32.7
234.05093	2.1
245.05205	3.0
247.03009	100.0
248.03235	6.7
249.04518	5.0
261.04715	3.8
261.08218	21.3
265.04190	11.0
279.06097	3.4
279.09274	25.2
280.09604	3.4
289.04059	15.9
290.04312	2.5
321.06360	10.3
321.09738	76.2
322.10147	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	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05491	0.9
62.10495	0.5
65.03954	0.8
67.05504	10.5
69.03424	0.8
69.23149	2.6
69.23555	0.9
70.03400	0.7
70.06593	2.5
70.82854	0.6
70.94428	0.6
71.04977	2.3
72.08144	1.9
77.03943	1.0
79.05508	0.9
81.03374	0.6
81.07064	4.3
84.38289	0.5
85.02888	1.3
90.50381	0.5
91.05483	1.5
93.07064	1.4
94.06563	8.2
95.04979	1.1
98.22750	1.0
99.08105	0.9
107.04953	1.6
107.08638	0.7
108.08133	0.6
109.06509	0.8
111.04397	1.0
122.06031	30.1
123.11699	1.2
124.07615	1.2
131.08627	0.6
136.07573	66.7
137.07919	1.6
140.07066	1.7
141.12738	1.2
145.02888	1.0
164.07065	100.0
165.07399	2.5
177.05499	2.4
182.08127	76.8
183.08447	2.3
191.57124	0.6
203.03394	2.8
221.04393	1.0
230.11739	0.8
234.11160	1.4
241.14322	0.9
253.12756	0.6
303.13284	1.3
304.11731	1.4
321.07355	6.8
322.08014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05491	0.9
62.10495	0.5
65.03954	0.8
67.05504	10.5
69.03424	0.8
69.23149	2.6
69.23555	0.9
70.03400	0.7
70.06593	2.5
70.82854	0.6
70.94428	0.6
71.04977	2.3
72.08144	1.9
77.03943	1.0
79.05508	0.9
81.03374	0.6
81.07064	4.3
84.38289	0.5
85.02888	1.3
90.50381	0.5
91.05483	1.5
93.07064	1.4
94.06563	8.2
95.04979	1.1
98.22750	1.0
99.08105	0.9
107.04953	1.6
107.08638	0.7
108.08133	0.6
109.06509	0.8
111.04397	1.0
122.06031	30.1
123.11699	1.2
124.07615	1.2
131.08627	0.6
136.07573	66.7
137.07919	1.6
140.07066	1.7
141.12738	1.2
145.02888	1.0
164.07065	100.0
165.07399	2.5
177.05499	2.4
182.08127	76.8
183.08447	2.3
191.57124	0.6
203.03394	2.8
221.04393	1.0
230.11739	0.8
234.11160	1.4
241.14322	0.9
253.12756	0.6
303.13284	1.3
304.11731	1.4
321.07355	6.8
322.08014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
64.93954	0.9
67.05505	5.7
69.07062	3.3
69.63005	3.1
70.06590	3.0
72.08158	2.2
79.05487	2.2
81.07052	4.9
83.04991	1.0
84.85902	0.9
91.05465	2.9
92.04994	1.2
93.07041	2.8
94.06581	1.0
95.04974	1.9
95.08592	2.8
96.08146	1.4
97.06528	1.2
98.23374	2.0
101.31444	1.0
105.07048	1.2
107.08582	3.4
108.08057	1.3
109.06571	0.9
109.10169	2.3
119.08611	1.6
120.04440	1.0
120.08089	4.1
121.10118	2.0
122.06051	1.1
123.11739	1.3
124.07628	1.6
129.07085	1.1
131.08572	1.2
134.06036	1.1
135.08044	0.9
136.07628	1.1
138.09096	1.3
139.24968	1.0
140.07129	1.5
145.02870	2.4
145.10114	1.0
147.11691	2.0
158.09671	1.2
162.05530	3.1
163.11108	1.1
164.07060	1.6
169.08832	1.0
173.08383	1.1
174.09138	1.1
177.05475	3.9
178.66490	1.0
180.06541	1.4
184.07581	2.0
184.11203	1.7
186.09154	1.9
186.12787	1.9
187.08696	1.4
197.08379	1.7
198.09097	1.5
199.05022	1.3
199.08488	1.2
200.09410	2.8
200.10924	1.2
201.06821	0.8
201.10246	1.6
201.13918	1.4
202.12209	1.1
203.03452	1.1
212.10779	6.6
213.06601	4.3
214.07356	1.4
214.10666	1.5
214.12445	2.2
215.08162	14.9
215.11763	3.7
226.08743	1.2
227.08220	2.7
227.11819	2.7
228.08937	9.8
229.09802	6.9
229.13239	5.8
230.11731	3.0
234.11235	1.5
239.11850	1.7
240.10196	2.0
242.10513	4.0
243.11299	32.5
243.13789	2.1
255.08615	1.3
257.12845	28.6
258.11243	31.0
259.11572	1.6
285.12338	100.0
286.10583	3.6
286.13141	1.9
297.41202	0.9
303.13419	32.5
304.11682	11.5
305.18625	1.2
321.07468	3.0
321.13159	7.8
321.24362	2.9
335.20242	1.0
344.83975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60856	4.8
66.20766	4.7
80.94849	20.5
104.99274	8.0
122.06008	8.1
138.09109	6.7
143.77910	4.0
150.09248	5.0
164.07086	15.1
174.09180	4.4
201.13837	3.9
202.12216	8.0
212.10689	6.8
216.10126	4.6
229.13393	28.1
230.11763	14.2
257.12842	87.1
258.11188	62.2
259.11560	5.0
261.09076	4.6
262.98251	5.4
285.12378	11.5
286.10739	8.6
303.13327	50.7
304.11786	100.0
321.13293	7.9
321.16708	5.5
322.23615	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	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18369	0.8
55.05511	1.9
61.23397	1.0
64.41763	0.9
67.05499	1.4
69.25914	4.0
70.06586	1.7
79.05498	1.9
80.94843	2.6
81.07039	2.3
91.05500	1.9
93.07037	1.2
93.62840	1.1
95.08626	1.7
98.22659	1.9
107.08588	1.2
109.10172	1.1
133.10133	1.2
141.07088	1.0
177.05461	2.7
262.98013	1.0
286.13797	1.0
303.25174	1.7
321.16714	100.0
321.26001	4.3
322.16959	5.8
322.27353	1.2
323.04907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52746	0.4
67.05502	0.7
69.07076	0.7
70.04141	1.3
70.06593	0.8
79.05506	0.4
80.94852	0.8
81.07076	0.7
84.08174	0.4
87.69647	0.4
91.05473	0.8
92.38531	0.5
93.07049	0.5
95.08600	0.9
98.09716	0.5
105.07046	0.4
107.08625	0.4
108.49467	0.4
109.06521	2.1
114.76218	0.4
117.34192	0.4
119.08570	0.5
123.11680	0.5
126.09156	0.5
177.05470	0.5
304.26337	0.6
321.16718	100.0
322.16983	4.4
322.20596	0.7
322.27420	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	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
60.04519	0.9
67.05502	0.5
69.07050	0.7
69.27192	0.9
69.27589	0.5
70.06579	0.5
72.04513	0.4
79.05496	0.7
79.80318	0.3
81.07044	0.8
86.09704	100.0
87.10037	1.7
91.05461	0.5
93.07057	1.2
95.04953	0.4
95.08604	0.7
97.06519	0.5
103.05465	4.2
107.04963	0.9
107.08585	0.5
109.10153	0.6
111.08037	0.3
119.08596	0.4
120.08102	96.8
121.08440	2.3
128.10713	48.4
129.11055	0.8
131.04904	2.4
133.10068	0.3
145.02800	0.3
147.11688	0.4
149.06000	1.4
151.19359	0.3
156.10201	14.5
157.10539	0.5
166.08630	59.5
167.08969	1.4
177.05467	0.5
220.66066	0.3
298.21118	0.3
303.23337	0.3
321.16745	0.6
322.25623	0.5
342.01453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97863	0.4
55.05513	0.8
57.04550	1.1
60.86794	0.4
63.02378	0.4
64.12947	0.4
67.26501	0.4
70.06593	4.0
71.04964	0.4
71.44814	0.4
72.08152	14.9
74.07196	2.3
75.05605	0.4
84.08142	0.6
85.02878	0.6
86.09692	1.6
87.10014	0.7
89.03910	3.1
89.10773	1.9
91.05473	0.7
92.89947	0.3
93.07043	0.6
95.08628	0.7
97.07638	1.2
98.06071	0.6
107.04944	0.4
107.08595	0.7
111.09167	0.4
114.10272	4.4
115.08684	1.0
116.07085	0.4
117.03369	15.4
120.08095	1.2
125.09605	1.0
128.11833	19.6
129.10252	3.1
134.03621	0.9
135.04427	0.5
136.07520	0.4
141.09085	0.6
143.11794	0.6
145.02837	62.9
145.14482	2.2
146.03151	1.5
146.05974	0.9
147.04341	0.6
149.05968	5.4
155.11765	0.5
159.10159	0.5
160.07426	0.4
163.03865	0.6
171.12437	0.7
173.09247	0.5
177.05457	100.0
178.05815	3.2
190.08655	1.1
203.03357	0.5
232.11978	0.6
234.11287	2.9
247.14413	4.8
248.12801	4.9
251.13809	0.5
265.15488	3.5
272.42291	0.4
290.14951	2.5
303.13181	0.6
304.16541	5.2
305.18512	1.4
321.19189	73.8
322.18921	3.1
322.20895	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
54.75859	4.6
55.01857	7.5
55.05508	31.5
57.03427	5.4
67.05508	40.9
67.72443	4.7
69.07066	20.7
71.45364	5.6
71.45761	5.5
79.05489	42.7
81.07064	31.3
83.04967	12.9
83.08620	7.8
91.05473	28.9
93.07043	32.3
95.08585	28.1
97.06538	15.0
97.10172	12.8
105.07034	22.0
107.04977	9.6
107.08566	38.0
109.06512	12.7
109.10176	11.0
111.08101	7.2
117.06976	6.3
119.08570	21.7
121.10174	17.8
123.08052	50.7
125.09636	20.2
131.08604	11.0
133.10118	17.1
135.08076	16.5
135.11667	8.7
137.09688	6.2
141.38174	5.0
145.10155	9.6
147.11723	10.6
149.09554	23.8
153.09102	8.1
155.08337	4.9
159.11745	8.1
165.12776	6.4
179.14310	14.6
209.15205	6.2
217.14165	11.8
219.17467	31.8
225.00743	4.7
257.18912	10.8
265.17938	6.4
275.20050	28.2
276.20599	6.4
291.23138	13.5
303.23239	5.1
303.28558	6.2
313.46127	5.7
318.69571	4.9
321.18253	9.7
321.24252	100.0
322.08646	6.3
322.27499	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01878	0.7
55.05511	6.4
56.67310	0.5
56.84471	0.5
57.03432	1.8
57.07078	2.8
58.06596	1.1
67.05502	5.2
67.20947	0.5
69.07068	5.8
70.06582	0.6
70.07415	0.7
71.08636	2.3
73.06520	0.8
79.05492	5.4
80.94855	1.2
81.07055	7.6
81.27226	0.5
83.04979	1.4
83.08611	3.5
85.06539	2.1
91.05474	10.4
92.05807	2.8
93.07043	7.4
95.04952	0.8
95.08604	8.8
97.06517	1.6
97.10178	2.7
99.08084	1.1
105.07044	4.3
107.04955	0.9
107.08601	5.6
109.06519	12.7
109.10149	3.1
111.08109	1.0
117.07007	0.9
118.07347	0.5
119.08581	4.7
121.06519	0.8
121.10142	4.7
122.07290	0.8
123.08069	39.7
123.11696	0.8
124.08405	1.2
125.09680	1.0
128.20760	0.6
131.08592	2.9
133.10135	2.6
135.08055	5.1
135.11713	1.9
137.09599	2.7
137.13235	0.6
139.11162	0.7
145.10127	1.8
147.11703	2.1
149.09639	2.5
151.11186	1.1
157.10170	0.7
159.11731	1.4
161.13287	1.4
163.11223	0.6
169.10191	0.7
173.13263	1.1
177.16406	0.7
179.14310	49.3
180.14667	1.6
185.13284	0.9
187.14935	0.6
191.14255	0.8
193.15891	1.4
203.14445	0.8
205.15862	0.8
219.17416	2.7
223.61456	0.6
229.15836	0.7
239.53751	0.6
247.16988	0.8
257.19083	0.9
259.35172	0.6
265.18027	10.8
275.20044	3.6
279.19736	0.9
289.17978	1.0
303.23450	4.1
303.28732	25.4
304.29224	0.9
321.24231	100.0
321.29666	10.8
322.24512	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.58690	1.1
55.01867	5.7
55.05508	5.2
57.03436	8.5
67.05530	7.8
67.05818	1.3
69.03429	8.6
69.07065	6.8
69.27431	6.9
70.06599	6.6
71.01324	1.4
72.08174	7.8
79.05492	24.6
81.03426	1.9
81.07059	38.4
83.04988	3.2
85.02879	7.4
91.05494	12.1
93.07043	10.1
95.01329	11.4
95.04963	7.1
95.08592	2.8
97.02895	3.4
97.06535	15.7
99.04447	3.2
103.03921	1.9
105.04559	1.6
105.07025	3.4
107.04931	3.6
107.08600	4.3
109.02898	1.7
109.06514	23.3
109.10134	4.4
111.00749	1.7
111.04422	2.9
111.08098	2.6
113.02369	3.5
115.03903	2.0
117.03399	1.7
117.07049	2.7
119.04936	5.1
119.08607	8.4
121.06494	5.6
121.10158	1.4
123.04406	2.3
123.08070	1.8
125.05991	4.5
127.03912	4.1
129.06973	2.8
131.08572	3.3
133.04991	1.7
133.06490	1.8
135.08063	4.8
137.05952	5.0
137.09663	2.2
138.03712	1.2
139.03903	9.3
139.07542	2.9
141.01805	3.2
141.05458	2.4
145.02853	9.8
145.06488	1.8
147.08054	10.0
149.05992	5.3
151.03931	2.2
151.07529	2.4
153.05489	1.6
155.07056	4.4
155.10670	2.1
163.07532	11.1
165.09114	18.3
167.07077	4.0
173.11729	7.4
175.07574	3.2
177.05441	12.6
181.08577	7.9
183.10159	2.7
191.07100	2.0
193.08617	22.4
194.08984	1.4
197.04370	6.3
199.09686	13.5
201.03772	1.4
209.08101	8.8
211.09682	14.6
227.09201	11.0
234.11258	7.7
234.13188	1.3
237.07524	5.7
255.08636	100.0
256.08978	5.0
269.10278	6.0
269.17407	3.5
273.09641	6.2
287.11206	3.3
305.18661	3.0
322.08160	2.4
322.21130	5.3
322.24310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.0
56.05045	4.4
57.03442	10.9
60.05652	4.0
67.05510	64.6
68.05855	3.5
69.03455	4.9
69.07085	19.8
69.09687	8.1
69.10088	15.7
70.06585	31.0
71.04999	6.7
72.08160	36.8
79.05494	43.6
81.07063	93.7
83.04980	6.1
83.08642	12.5
84.08163	4.2
85.06577	6.5
86.09721	3.6
91.05489	33.0
92.11035	3.2
93.07048	64.8
95.04971	5.0
95.08627	22.5
97.06534	22.0
98.97584	4.9
99.08118	9.8
105.07052	12.6
107.08599	29.7
109.06516	10.9
109.10166	15.3
111.08105	8.1
112.11208	3.9
112.64357	3.4
114.09043	3.5
117.03407	6.8
117.07018	19.7
119.08576	17.8
120.08124	10.2
121.06522	6.4
121.10164	10.9
123.11719	4.4
125.09695	4.3
129.07011	3.4
129.13890	4.1
131.08597	14.6
133.10156	20.7
135.08087	6.3
135.11700	15.4
137.05984	3.9
139.03934	4.4
145.02861	48.3
147.08066	10.0
149.05968	7.4
149.13258	39.1
155.07007	4.4
155.10669	5.3
159.11681	30.9
161.13446	3.6
163.07565	4.5
165.09138	6.8
173.11784	24.0
175.11919	5.1
177.05481	62.4
177.12749	56.4
179.14352	14.1
181.08611	3.9
191.07094	5.6
193.08669	24.9
195.13806	27.4
197.04494	4.6
199.09727	6.9
204.03841	3.9
209.08073	16.3
211.09628	11.0
213.14822	6.9
227.09167	4.0
234.11267	35.9
237.07689	10.8
251.13959	7.3
251.16423	5.0
255.08517	18.0
269.10205	13.3
269.17505	100.0
269.20334	6.8
270.17877	4.1
273.09662	6.3
277.00833	4.4
305.18732	12.7
308.06067	3.2
322.08127	31.0
322.21561	31.7
322.27426	4.6
323.05493	5.6
323.08902	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.07066	0.8
67.05491	0.9
68.05022	1.5
69.07069	1.2
69.46303	2.1
69.46578	0.5
70.06586	1.8
71.04947	0.5
71.06947	0.5
72.08147	1.6
79.05499	5.7
81.05780	1.4
81.07054	2.1
84.08105	0.5
89.07900	0.5
91.05475	0.7
93.07043	1.0
94.06580	3.9
95.04962	0.9
95.08628	1.0
96.08135	34.1
97.08465	0.8
98.09708	3.0
98.97578	2.0
99.10320	0.4
101.53358	0.5
107.08584	0.8
114.09171	100.0
115.09497	1.7
116.98589	1.2
164.92084	0.6
177.05496	1.1
202.92407	0.5
217.95973	0.5
226.85728	0.5
258.26978	1.1
258.99838	1.5
259.27304	0.8
260.27518	0.7
277.00897	2.0
292.06110	0.6
304.26413	1.7
321.30997	0.6
322.11075	1.6
322.27472	37.0
322.31207	6.8
323.27795	2.1
340.46060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.96558	0.5
68.05031	0.6
69.07072	0.4
69.46837	0.6
69.47242	1.0
70.06585	0.4
79.05489	3.7
80.05068	0.3
81.05794	1.3
82.94526	0.6
91.05460	0.4
92.56898	0.3
94.06548	2.2
95.08672	0.3
96.08126	36.1
97.06520	0.7
97.08469	0.6
98.23387	0.6
98.97575	2.7
99.08065	0.3
109.34083	0.3
114.09164	100.0
115.09504	1.5
116.98618	1.7
134.99686	0.5
153.05461	0.6
163.41742	0.3
164.91997	1.3
186.80756	0.3
258.99768	2.0
277.00885	1.9
304.26282	0.4
322.27332	26.9
322.30304	1.5
323.27826	1.6
324.84015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
56.05035	1.7
58.06592	4.2
67.05501	9.0
69.07066	2.9
70.06580	5.6
71.26177	1.2
72.08164	2.2
79.05486	4.3
80.94855	1.4
81.07063	7.2
82.94555	2.2
83.08616	1.9
84.08135	5.0
88.07626	2.3
91.05508	1.4
93.07032	3.1
95.08597	4.5
96.08125	3.8
98.09686	1.3
98.97572	7.0
107.08575	2.2
109.10181	1.2
110.09702	1.4
112.11234	3.8
114.09175	4.3
116.98628	5.1
121.10120	1.2
122.09590	1.0
134.99623	1.2
164.92078	2.6
180.89513	1.6
198.98851	1.2
225.05872	0.9
258.99802	5.4
262.98169	0.9
277.00787	6.5
304.29990	23.5
305.30087	1.0
322.27615	4.7
322.31000	100.0
323.31418	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	322.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69603	0.2
55.05297	0.3
55.05514	2.9
56.05031	1.9
57.03441	1.3
57.07080	0.7
58.06600	4.0
59.04998	1.7
65.03925	0.3
67.05501	8.1
69.07062	2.3
69.50179	0.9
70.06596	1.8
71.07366	0.8
72.08152	1.5
79.05494	3.1
81.06563	0.3
81.07050	5.2
82.94546	0.5
83.08617	0.8
84.08138	8.7
85.06561	0.4
88.07621	0.6
91.05495	1.1
93.07031	3.0
95.04981	0.4
95.08601	3.8
96.08116	1.3
97.08910	0.4
97.29302	0.2
98.09691	1.0
98.22649	0.4
98.97588	1.3
105.07023	0.9
107.08608	1.5
108.81757	0.2
109.10162	1.3
110.09694	1.3
111.10480	0.3
112.11240	1.0
112.36649	0.2
115.11211	0.3
116.98612	0.8
119.08555	0.5
121.10134	0.9
124.11214	0.3
135.11687	0.5
149.13264	0.2
161.13177	0.2
164.92082	0.9
173.15402	0.3
198.56888	0.2
203.85902	0.2
250.13620	0.3
258.99753	0.8
277.00824	0.9
300.02634	0.3
304.29965	21.0
305.30341	1.5
322.31012	100.0
323.31326	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	322.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51947	0.3
55.05517	2.7
56.05029	0.8
58.06602	1.5
67.05162	0.5
67.05508	7.4
69.07071	3.4
70.06594	6.0
70.55569	0.6
71.04996	0.6
71.07365	0.5
72.08157	0.9
79.03551	0.3
79.05489	3.2
81.07063	5.6
83.08620	0.6
84.08143	2.9
85.08951	0.5
86.09695	0.9
88.07631	5.6
88.08133	0.6
90.95786	0.4
91.05478	1.0
93.07043	3.0
95.08603	3.4
96.08125	1.2
98.09689	2.7
98.97588	0.9
105.07032	0.4
107.08615	1.6
109.10162	1.6
110.09679	2.8
111.10474	0.9
112.11230	2.1
116.98610	0.6
117.81184	0.3
119.08574	0.3
121.10119	1.0
124.11245	1.4
135.11748	0.4
136.11122	0.4
136.80873	0.3
138.12840	0.3
143.60429	0.3
164.92116	0.5
179.47588	0.3
180.91113	0.3
258.99744	0.8
277.00861	1.2
304.29987	26.7
305.30322	2.1
322.31046	100.0
323.31403	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	322.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
56.05034	1.7
56.96576	1.0
57.03428	1.0
58.06605	6.0
67.05501	8.9
69.07054	3.2
69.54794	0.8
69.88715	1.9
69.89077	1.6
70.06578	2.6
72.08157	3.1
79.05489	3.3
80.94865	2.8
81.07058	7.8
82.94530	2.3
83.08615	0.9
84.08138	7.7
88.07653	1.9
91.05489	1.6
93.07035	4.2
94.12462	0.8
95.08614	3.8
96.08135	1.5
98.09722	1.5
98.22796	1.2
98.97580	8.6
102.23285	0.8
104.99262	2.1
107.08572	1.6
109.10169	2.0
112.11236	2.9
114.09230	0.9
116.98602	5.1
121.10139	1.3
132.66444	0.8
134.99667	1.5
153.05504	2.8
164.92035	5.0
180.89491	1.1
198.98938	0.9
244.68047	0.8
258.99731	6.6
277.00784	8.0
304.29938	20.5
305.30414	1.3
322.31018	100.0
323.14801	1.3
323.18347	1.7
323.31308	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1391
Annotation	p-coumaroylserotonin
Peak:m/z	Relative Intensity
58.06596	0.4
65.03940	0.6
69.89711	0.3
69.90044	0.2
80.61678	0.2
91.05482	8.4
93.74127	0.1
98.97583	1.1
107.04961	0.2
108.46770	0.2
115.05459	0.5
116.98619	0.4
117.05782	0.3
119.04945	23.9
120.05256	0.5
124.16972	0.2
132.08087	0.7
133.06520	0.2
134.99638	0.3
147.04408	100.0
148.04732	2.7
148.07666	0.2
152.45152	0.2
160.07578	12.9
161.07910	0.6
164.92084	0.5
177.10199	1.4
198.98827	0.2
203.08107	0.6
223.77077	0.2
258.99738	0.6
277.00806	0.8
306.11270	1.2
323.13901	2.4
323.18240	0.4
323.23248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.07092	0.3
58.06602	0.4
60.05906	0.3
64.03538	0.3
64.74430	0.3
67.05492	0.6
69.07064	0.8
69.24898	1.8
70.06585	0.8
72.08149	0.8
79.05498	0.6
81.07061	1.7
88.07643	0.8
91.05479	0.7
93.07041	0.8
93.64081	0.3
95.08606	1.6
97.10171	0.4
98.97581	2.2
105.07043	0.5
107.08590	1.0
109.06473	0.4
109.10181	0.7
116.98638	1.5
119.08592	0.4
120.08154	0.3
121.10148	0.6
123.11715	0.5
130.25946	0.3
131.90388	0.4
133.10188	0.3
145.02876	0.3
147.11589	0.4
178.05869	0.5
179.51747	0.3
187.18851	0.6
198.98848	0.5
231.21423	0.6
235.11563	0.4
258.99817	1.6
259.99783	0.3
277.00821	1.6
287.21985	0.4
305.17480	0.5
322.26038	0.6
323.14658	100.0
323.26288	3.3
324.14969	4.7
324.21631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57867	1.1
58.65049	1.0
77.03970	1.3
79.05499	2.5
81.05804	2.5
91.05466	1.4
93.07114	1.1
96.08140	7.9
98.97583	8.6
99.61320	1.0
106.06613	1.2
106.34539	1.2
116.98624	4.0
124.07598	29.9
130.91541	1.0
134.99719	2.5
136.07574	52.5
137.07942	2.3
138.09171	2.3
140.07059	1.5
147.04428	1.4
152.83739	1.2
164.07069	100.0
164.92133	1.4
165.07466	3.8
176.76883	1.0
180.97884	1.4
182.08138	81.8
183.08409	1.6
198.98759	1.6
258.99817	5.4
273.68231	1.0
277.00919	7.5
306.13467	1.1
323.12805	1.2
324.09302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88004	0.6
53.59515	0.6
55.01872	4.9
55.05508	4.5
57.03435	27.5
57.07074	1.8
60.72498	0.6
67.05160	1.5
67.05505	24.7
67.05868	1.4
69.03407	0.9
69.07059	2.2
69.17249	4.2
71.04984	3.1
79.05489	11.5
81.07051	13.5
83.04992	2.6
83.08624	1.9
85.06538	26.7
91.05473	9.3
93.07047	10.2
95.04966	36.2
95.08614	4.6
96.05338	0.9
97.06517	1.6
97.10168	0.8
98.97577	5.8
105.07035	6.2
107.04961	3.2
107.08598	8.1
109.06516	27.7
109.10140	2.5
111.04446	2.9
111.08063	1.9
113.06004	100.0
114.06336	0.8
116.98618	2.3
117.07018	5.4
119.08576	4.7
121.06498	2.5
121.10144	3.1
123.08056	2.9
125.09610	0.9
129.06982	3.8
131.08575	6.7
133.10132	3.0
135.08061	22.8
135.11676	3.1
137.09647	0.9
143.08563	3.2
145.10092	5.0
147.08060	2.3
147.11691	1.2
149.09599	2.3
149.13245	0.9
153.12733	1.5
155.08572	0.8
157.10133	2.9
159.08025	0.7
159.11697	2.6
161.09586	3.6
163.11206	3.0
164.92032	1.0
165.12721	3.4
171.11682	1.2
173.13330	1.1
177.12758	1.5
181.12186	1.6
183.11649	1.4
185.09731	0.7
185.13365	1.0
187.11130	0.9
187.14777	0.9
191.10580	1.2
195.13739	1.3
199.14839	1.6
201.12737	1.7
210.07611	0.7
217.15846	6.2
227.12820	1.2
227.17964	1.2
228.06581	0.7
237.16350	1.0
245.19133	1.3
249.39455	0.8
255.17450	1.8
258.99796	2.8
273.18512	12.8
274.18744	1.0
277.00778	4.4
287.20120	1.4
291.19522	39.2
292.19846	2.3
305.21170	4.4
305.29529	2.3
323.22159	0.9
324.28946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03925	1.1
55.01863	1.4
55.05509	29.9
57.03426	2.4
57.07080	5.5
59.04994	3.3
67.05157	1.5
67.05502	19.2
69.03421	4.4
69.07065	50.6
69.70354	1.4
70.06593	2.0
71.04981	2.0
71.08626	1.6
72.08125	0.8
72.70564	0.8
73.06564	2.1
79.05484	10.6
81.07055	49.4
83.04976	5.3
83.08619	8.5
85.06525	6.4
91.05470	4.0
93.07041	29.2
93.07542	0.6
95.04998	1.8
95.08602	63.1
96.08926	1.2
97.06536	9.5
97.10167	54.3
98.23322	1.3
98.97581	3.7
99.08109	4.5
105.07029	7.4
107.08595	24.8
108.43508	0.8
109.06488	3.4
109.10159	22.0
110.09666	1.2
110.10425	0.8
111.08079	12.7
111.11712	16.3
115.11180	2.8
116.98612	1.6
119.08595	6.2
121.10143	21.0
123.08067	1.7
123.11707	37.1
124.11996	0.8
125.09621	4.4
125.13260	1.1
128.10686	2.2
133.10133	5.0
134.99597	0.9
135.11690	13.0
137.09645	1.5
137.13243	5.2
139.11176	40.7
143.10675	4.6
145.10147	1.2
147.11703	5.7
149.13255	28.9
151.11169	3.4
153.12729	8.7
155.10736	1.0
157.12225	33.9
159.11662	1.0
161.13292	3.9
163.11159	1.1
163.14769	5.9
165.12712	2.9
167.14288	2.0
169.12221	1.7
171.10110	0.9
171.13843	3.5
173.13167	1.2
175.14803	2.1
177.05533	1.0
177.16394	1.1
179.14270	1.0
181.15988	1.1
189.16473	1.6
195.13799	1.2
203.12738	7.1
203.14432	1.1
203.18050	1.3
207.17511	1.0
209.15442	0.9
223.16829	1.5
235.11414	0.8
235.16887	1.5
249.18564	1.6
249.22185	1.1
258.99698	2.3
259.24170	2.1
263.23819	1.4
269.22714	1.7
277.00833	2.4
277.25159	6.7
287.23654	3.4
305.24725	30.2
306.25165	1.6
306.28394	0.8
310.81555	0.8
318.57587	0.8
323.14606	100.0
323.25729	27.3
324.15070	6.6
324.25565	2.3
341.12332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1073
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
57.03412	0.5
60.04519	0.7
60.80399	0.4
68.99779	0.5
69.03416	1.7
70.06589	2.1
72.08168	2.3
74.06068	1.2
81.07043	1.0
82.07767	0.4
84.04481	0.7
84.08130	1.4
85.02917	2.7
85.06529	1.8
86.09700	1.0
89.03902	2.2
97.02876	1.8
99.08108	0.6
100.97817	0.4
107.04968	0.7
109.02898	0.5
109.06527	0.5
117.03390	2.5
120.04447	1.1
120.08115	3.4
125.70461	0.4
127.03907	1.4
127.07568	2.5
131.08134	1.0
135.04420	3.9
136.07549	0.9
145.02859	3.3
145.04922	0.4
145.08606	1.3
146.03169	0.5
148.06175	0.9
151.04788	0.5
159.07669	1.0
162.05499	100.0
163.03900	28.5
163.05829	2.5
166.08632	1.8
166.81358	0.4
177.05466	0.8
178.05804	1.3
179.06142	0.6
181.04982	1.0
186.66264	0.4
193.09727	0.6
205.06528	0.8
207.11290	0.6
208.08318	1.7
223.07523	0.5
223.10832	0.5
233.05957	0.6
235.11377	0.5
251.07042	0.9
273.38031	0.5
279.06604	2.0
279.21817	0.4
306.19058	0.5
307.06125	1.5
323.21390	0.5
324.10544	48.5
324.14969	3.3
324.21542	0.9
325.07043	2.3
325.10916	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
54.46701	0.3
55.01429	0.4
55.05508	1.7
56.05015	0.5
57.03434	1.1
57.07077	3.1
59.29358	0.3
61.02920	1.0
67.05504	1.1
69.03427	2.0
69.07069	1.1
69.91483	1.0
70.06589	1.0
70.91696	0.3
71.04992	12.9
72.05330	0.4
72.08121	0.3
73.02922	0.4
73.06560	2.3
75.04472	1.1
79.05519	0.5
81.03423	0.6
81.07050	0.7
82.06583	1.0
83.08620	1.4
85.02908	8.2
87.08105	1.6
91.05510	0.4
93.07037	0.6
95.08635	0.4
97.02911	1.9
97.06534	0.9
99.04474	0.6
103.03905	0.6
109.02844	0.6
109.10163	4.7
110.07178	0.9
110.09679	4.6
114.09174	1.3
127.03922	1.9
127.11195	28.8
128.10715	26.3
129.11023	0.5
135.52330	0.4
145.04974	1.6
145.12234	100.0
146.12589	3.1
163.03915	0.5
189.01955	0.6
211.10585	0.9
296.06723	0.6
306.20871	0.4
324.09451	0.5
324.18765	2.3
324.21695	9.4
324.25427	1.1
325.07101	4.7
325.16376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05513	3.2
55.14762	0.5
55.21249	0.5
56.05035	1.2
57.03430	0.8
58.06586	0.9
62.66245	0.5
67.05503	8.5
68.05017	1.1
69.07068	5.0
69.92007	1.3
69.92368	0.9
70.06585	5.1
70.68684	0.5
72.08145	1.1
77.54085	0.5
79.05493	8.7
80.04988	0.6
80.94849	2.0
81.05794	1.3
81.07061	7.5
82.06579	1.4
83.08602	1.3
84.08138	1.8
87.04477	0.8
91.05480	4.3
93.07046	5.6
94.06559	2.9
94.89846	0.6
95.04958	0.9
95.08604	3.8
96.08125	18.1
96.92227	0.5
98.09695	3.2
98.97575	2.2
105.07027	2.4
107.08583	2.5
108.08103	1.3
109.10130	1.7
110.09667	0.9
114.09166	27.7
116.98620	1.2
117.06992	0.7
119.08582	1.2
121.10178	1.1
122.09653	2.5
124.11224	0.8
131.08582	0.8
133.10071	0.9
134.99622	0.8
136.11232	1.0
138.12755	0.9
140.10681	1.0
142.12260	0.7
147.11717	0.9
150.71872	0.5
152.95398	0.6
154.12242	2.1
164.14359	0.6
176.14464	0.6
221.47220	0.6
248.53366	0.5
260.00006	1.4
278.01047	1.7
288.26822	5.6
306.27908	23.0
307.28323	1.0
310.60886	0.6
324.28949	100.0
325.21085	1.2
325.29269	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	324.2898
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03946	0.9
55.05262	0.7
55.05517	11.8
56.05032	0.5
57.03433	1.3
57.07073	0.8
67.05508	20.6
68.05843	0.5
69.07072	6.9
69.97528	1.1
70.06555	0.5
71.05015	0.5
72.04522	0.4
72.08158	4.9
79.05502	4.8
81.03411	0.5
81.07063	15.1
83.05006	0.4
83.08620	7.5
84.08158	0.5
85.06548	3.6
86.09687	0.5
90.85606	0.3
91.05486	1.1
91.37997	0.4
93.07047	8.1
93.49817	0.4
95.04957	0.7
95.08617	3.1
97.06543	3.0
97.10159	1.7
98.09065	0.7
98.09699	14.6
99.08108	3.0
107.08596	6.0
109.10168	0.9
111.08114	0.7
116.29443	0.4
121.06530	0.7
121.10155	2.1
124.11216	1.3
142.12279	13.8
143.12589	0.5
149.13280	5.1
158.44232	0.4
167.14368	0.5
254.50838	0.4
261.22314	0.5
306.27930	2.3
324.28979	100.0
325.29269	8.3
325.32922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.6
55.08279	0.7
56.05011	2.1
57.03437	1.3
58.06601	5.7
67.05496	5.0
69.07063	3.9
69.30390	3.6
70.06583	1.5
72.08115	0.8
79.05504	1.7
80.94856	4.8
81.07052	5.4
83.08596	2.7
84.08140	8.3
87.04452	1.5
88.07615	1.1
93.07032	1.6
95.08617	3.8
96.08124	0.9
96.92247	0.9
97.10138	0.9
98.09683	0.8
98.97569	2.2
107.08596	0.7
109.10130	1.5
112.11254	1.2
114.09174	1.1
116.98595	2.1
121.10126	0.9
123.70531	0.6
125.78747	0.6
134.99673	1.0
135.11617	0.8
180.89436	0.7
190.69254	0.7
255.33063	0.7
259.99942	1.5
277.00778	0.8
278.01028	1.7
306.27966	1.2
306.31509	21.1
307.31757	1.5
317.02313	0.7
324.28812	11.9
324.32532	100.0
325.32925	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	324.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67475	0.7
55.05503	3.6
56.96572	0.9
57.07072	1.3
57.10322	0.7
62.19754	0.7
62.52144	0.7
67.05505	7.1
69.07078	3.8
70.06593	7.6
70.26454	1.7
72.08134	0.8
74.64338	0.9
79.05468	1.8
80.94855	5.8
82.15926	0.9
82.17731	0.7
83.08602	1.7
84.08125	2.3
86.09692	1.2
87.04461	0.9
88.07619	7.1
93.07031	1.6
95.08596	4.3
96.08142	1.8
96.66554	0.8
98.09686	3.4
98.97569	3.5
104.83705	0.7
107.96704	0.8
109.10167	2.2
110.09661	3.2
112.11226	2.6
116.98580	2.2
125.12032	0.9
139.18217	0.8
164.92055	1.4
180.89511	1.1
225.40106	0.8
236.04820	1.0
278.00995	1.8
296.10464	0.8
306.27957	1.4
306.31534	27.6
307.31775	2.1
324.10355	1.5
324.16220	1.5
324.28882	5.9
324.32565	100.0
325.29022	1.3
325.32822	6.7
330.50531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.82737	0.2
51.51328	0.2
55.01851	0.2
55.20962	0.2
61.02911	0.5
63.02378	0.2
67.92576	0.2
69.03430	8.1
69.63270	0.4
69.63660	0.3
70.06588	0.4
71.04994	0.4
74.06100	0.2
79.05489	0.9
81.03426	0.4
84.43898	0.2
85.02916	0.9
85.06527	0.2
86.06046	0.2
89.03915	4.0
95.04961	0.3
97.02894	1.1
97.84320	0.2
99.04475	0.4
107.04967	1.7
109.02872	0.6
117.02563	0.4
117.03382	7.5
120.08102	0.7
121.08441	0.8
123.04433	0.2
127.03915	3.7
131.08110	0.2
135.04416	14.5
136.04724	0.3
136.07512	0.2
145.02852	12.0
146.03181	0.2
163.03902	100.0
164.04236	3.0
166.75787	0.2
167.09001	0.2
177.10330	0.2
181.04953	1.0
189.05533	0.2
201.05504	0.2
208.11673	0.3
279.06390	0.2
307.08170	1.5
325.09332	2.0
325.12991	0.3
325.19229	0.7
326.16934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.03459	0.3
61.02923	0.5
69.03069	0.6
69.03431	10.9
70.06588	0.6
72.08148	0.5
77.03912	0.3
79.05479	0.8
81.03413	0.6
85.02889	2.0
89.03922	4.1
93.42815	0.3
97.02895	1.6
98.97567	0.3
99.04434	0.3
100.94372	0.3
107.04962	2.1
109.02863	0.6
110.07161	0.5
116.07091	0.3
117.03378	7.0
117.09137	2.4
119.05067	0.3
121.92088	0.3
127.03909	5.0
131.04840	0.3
135.04416	14.7
136.04768	0.3
145.02849	10.5
145.03947	0.7
145.04933	1.0
146.03189	0.6
150.05603	0.5
163.03902	100.0
164.04230	2.7
181.04941	1.6
228.22697	0.3
253.75218	0.3
286.90717	0.3
307.08099	1.8
323.05524	0.3
325.09070	1.2
325.13266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01876	10.2
55.83946	0.5
57.03439	10.2
61.02931	5.4
69.03433	39.5
70.13095	1.2
71.01369	1.3
71.04984	3.0
73.02927	7.1
81.03424	5.6
83.01332	1.1
85.02908	100.0
86.03252	1.5
87.04470	1.4
91.03970	0.8
97.02896	38.2
99.04461	8.7
101.02387	7.4
109.02895	5.7
110.49016	0.5
111.09258	0.6
112.75690	0.6
113.02462	0.6
115.03941	4.8
127.03920	72.9
128.04268	1.4
133.05028	0.7
134.54166	0.6
145.04962	44.4
150.05562	0.9
159.92296	0.6
163.06009	5.9
228.25516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
54.26434	0.5
55.01870	10.4
55.73861	0.6
57.03178	0.9
57.03437	10.6
61.02925	4.4
66.47633	0.6
69.03428	37.7
69.70035	2.5
69.70665	0.6
71.01360	1.5
71.04983	2.3
73.02920	6.3
81.03419	5.2
85.02904	100.0
86.03240	0.7
86.52765	0.6
87.04481	1.3
91.03951	1.6
96.88821	0.6
97.02892	47.0
98.03229	0.6
99.04458	8.5
101.02368	6.4
103.03917	0.9
109.02865	6.0
115.03947	4.2
127.03915	69.8
128.04248	1.0
145.04962	44.2
150.05457	0.6
163.06018	5.3
253.07408	0.7
292.70236	0.7
294.35815	0.6
349.83267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01869	1.8
57.03432	2.1
60.56023	0.4
61.02909	1.3
69.03429	15.0
69.82877	0.4
71.01346	0.8
71.04993	5.1
73.02916	1.1
81.03417	16.3
81.03899	0.9
88.92877	0.4
91.05457	0.8
98.22730	1.4
98.97557	0.6
99.04454	6.3
117.05500	2.3
118.06519	3.7
124.47980	0.4
137.06120	0.4
145.07607	6.7
147.09166	6.3
148.09462	0.5
158.59401	0.4
162.07916	0.7
163.07402	0.4
163.08670	0.8
173.07089	10.5
174.07439	0.6
175.08667	6.2
191.08147	100.0
192.08566	3.8
203.08080	0.4
215.11707	0.4
231.11292	0.5
233.09201	1.1
259.07391	0.5
289.11694	2.0
307.12869	32.4
308.13339	1.9
315.88367	0.4
325.13907	30.9
326.14221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.65633	0.2
53.03947	1.5
55.01882	2.0
57.03442	2.6
58.06336	0.3
58.06600	2.8
59.04987	0.7
61.02919	0.8
69.03429	16.0
70.03738	0.3
70.06591	0.3
70.50546	0.4
71.01340	1.1
71.04990	4.8
72.08137	0.5
73.02886	0.7
75.04494	0.3
79.45383	0.3
81.03417	17.9
82.03722	0.4
85.02904	2.0
86.09684	0.7
87.04462	0.5
91.05491	0.6
93.09933	0.2
97.02890	0.5
99.04459	7.8
103.73441	0.2
109.02848	0.3
110.09661	0.9
116.04977	0.4
116.68896	0.3
117.05475	1.5
117.06992	0.4
118.06536	4.2
120.08102	0.3
123.04413	0.3
127.03867	0.7
145.04971	0.5
145.06470	1.6
145.07590	5.5
147.09158	7.2
147.10327	0.4
148.06335	0.3
158.39557	0.2
162.07869	1.1
163.07506	0.3
163.08676	0.9
170.11765	1.1
172.06221	0.3
173.07115	10.2
174.07419	0.5
175.07230	0.4
175.08665	6.2
187.08707	0.3
190.07391	0.5
191.08148	100.0
192.08542	3.5
199.08630	0.4
203.08223	0.4
205.09691	0.7
213.10062	0.3
213.15875	0.3
215.11867	0.5
228.10895	0.2
231.11287	0.6
233.09070	1.4
251.10349	0.3
258.98816	0.3
271.10803	0.3
279.06549	0.3
289.11841	1.8
297.07413	0.4
307.12866	32.1
308.13129	1.7
308.16150	0.3
325.07101	2.9
325.13916	31.8
326.14328	1.3
326.19690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46326	0.3
60.52582	0.3
69.07076	0.5
70.40450	0.6
71.52437	0.3
81.07055	0.4
115.21022	0.3
122.69365	0.3
132.04774	0.3
154.90216	0.4
195.73654	0.4
209.28955	0.3
281.17233	2.8
325.16205	100.0
326.16556	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01877	10.4
55.05508	22.9
55.15802	1.3
57.03434	4.9
57.07080	1.9
64.57081	1.2
65.03922	2.4
67.05505	50.6
69.03412	2.0
69.07069	28.7
71.04978	6.0
71.08637	1.3
71.46909	1.5
75.85957	1.4
79.05490	32.3
81.03410	3.8
81.07053	100.0
83.04970	5.0
83.08620	12.1
85.06539	5.5
91.05473	28.7
91.29356	1.3
93.07043	27.0
95.04965	14.0
95.08599	39.5
97.06535	17.2
97.10156	4.3
98.97598	2.2
99.08083	5.3
105.07028	27.7
107.04926	7.0
107.08590	18.4
109.06516	31.8
109.10147	15.9
111.08085	5.6
117.07037	8.7
119.08577	20.2
121.06499	3.7
121.10133	16.9
123.08057	10.7
123.11726	7.9
125.09607	4.9
129.06989	2.3
131.08566	11.8
133.10123	14.9
135.07986	6.0
135.11710	9.0
137.09613	5.0
137.13237	2.7
139.11124	1.8
143.08504	3.2
145.10123	11.0
147.11679	18.1
149.09590	8.1
149.13206	9.5
151.11165	4.1
155.08562	2.0
155.10660	1.7
157.10109	4.0
159.11676	10.5
161.09615	2.3
161.13228	6.0
163.11157	9.0
163.14827	3.8
165.12782	4.7
167.10699	1.9
168.07396	1.4
169.10138	1.9
169.49930	1.3
171.11700	2.5
173.09717	1.6
173.13266	4.1
175.11211	3.0
175.14920	1.5
177.12791	5.5
179.14282	2.9
187.11227	1.5
187.14816	2.0
191.14223	1.8
193.12257	3.9
197.13217	1.7
201.12926	1.7
207.13806	1.8
215.18083	1.7
219.13760	2.3
229.19493	4.1
233.19034	1.3
239.17923	5.7
247.20679	4.8
248.53542	1.3
257.19006	7.2
261.22156	2.9
265.21613	1.7
271.54761	1.5
275.20062	49.5
276.20422	2.5
279.23138	3.9
289.21616	2.0
293.21014	7.8
307.22598	18.4
326.30539	2.1
326.34305	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	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05510	12.0
56.51014	1.0
57.03427	1.7
57.07065	1.5
67.05503	13.8
69.03423	1.3
69.07063	7.8
69.31612	2.5
69.32002	4.1
71.04969	3.1
78.06454	1.1
79.05502	9.8
81.03413	3.2
81.07062	16.6
83.04974	2.2
83.08613	6.8
85.02899	2.5
85.06550	3.2
85.10194	1.9
88.06559	1.4
91.05491	7.7
93.07046	10.7
95.04972	44.0
95.08614	12.6
97.06540	2.2
97.10183	3.1
98.97584	1.6
99.08112	2.5
105.07034	7.3
107.04974	3.7
107.08578	6.6
109.06506	4.0
109.10131	4.8
111.08086	4.3
117.07034	3.0
119.08572	4.9
121.06501	4.3
121.10140	6.4
123.08040	2.4
125.09653	2.1
131.08574	3.1
133.10139	3.2
135.07999	1.4
135.11710	2.2
137.09586	1.8
145.10132	4.8
147.08072	2.7
147.11681	3.7
147.14249	1.2
149.09602	9.7
151.11160	1.6
159.11703	2.2
163.11159	11.9
165.12737	6.0
177.12755	2.9
181.12244	1.2
187.11192	2.0
189.11252	3.0
197.15263	1.9
205.12314	2.2
223.13275	21.3
247.20546	1.5
257.18976	1.8
275.20096	11.5
293.21109	100.0
294.21417	5.0
325.23676	4.5
326.34076	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	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01869	1.8
55.05508	3.4
57.03434	5.1
58.06593	2.0
59.05013	0.6
61.02923	3.6
67.05497	3.2
68.99809	0.7
69.03436	7.0
69.07070	1.8
69.71352	1.7
70.06599	1.0
71.04984	1.3
72.08157	6.5
73.02911	2.2
77.01604	0.8
79.05492	4.0
81.03430	3.3
81.07059	2.9
83.01314	0.7
83.04951	0.5
83.08624	11.1
84.08148	1.3
85.02906	45.7
85.06480	0.4
85.08919	0.8
86.03239	0.7
86.09711	3.7
87.04489	1.5
91.03945	3.0
91.05497	2.6
93.07030	2.3
95.04964	1.5
95.06071	0.5
95.08626	3.4
96.08138	1.5
97.02895	11.6
97.06523	1.6
98.09708	5.2
98.98470	100.0
99.04443	1.2
100.03972	0.5
100.31086	0.5
101.09652	8.4
102.09185	0.5
105.07044	1.8
107.04958	0.7
107.08598	0.9
108.08147	0.7
108.85213	0.5
109.02904	3.6
109.06525	0.8
110.07148	3.1
110.09690	1.0
111.04487	0.5
113.09607	0.4
114.09163	2.3
116.99512	2.2
117.07002	1.2
119.08553	1.1
119.10696	1.2
121.02851	0.9
121.06522	0.7
123.08069	0.9
125.62082	0.5
127.03928	10.2
128.10745	1.0
129.07050	0.7
131.08542	1.1
142.12268	1.9
143.08624	0.8
145.04962	21.6
145.10135	1.0
146.05212	0.6
147.10156	2.1
159.08047	0.4
163.03937	0.5
163.06055	4.7
165.01793	0.5
174.99216	15.4
179.03391	0.7
208.03210	1.0
223.08975	0.5
224.19974	0.5
250.99997	2.5
268.06781	1.0
269.07626	1.0
280.06854	0.9
282.16290	0.6
297.07144	1.4
298.07831	2.5
308.06262	0.7
308.22183	9.6
326.04306	0.8
326.07401	23.9
326.23239	61.8
327.07706	1.2
327.14331	0.6
327.23575	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	326.2115
Annotation	Daphniyunnine C
Peak:m/z	Relative Intensity
53.03944	0.3
55.01872	0.3
55.05511	0.9
55.13787	0.3
56.05039	1.4
58.06603	1.4
65.81339	0.3
67.05193	0.2
67.05488	1.3
68.05035	0.5
69.03426	0.8
69.07069	1.1
69.94341	0.8
70.06588	2.0
71.04990	0.3
72.08170	0.3
75.02361	0.4
79.05501	1.7
81.03425	0.4
81.07051	2.9
82.06585	2.7
83.08627	0.6
84.08141	4.2
86.76752	0.3
91.05486	0.7
93.07043	1.8
94.06583	0.6
95.04974	1.1
95.07343	1.6
95.08610	1.4
96.08139	0.6
97.06535	3.9
97.08917	0.3
98.06068	1.6
98.06640	0.3
98.09727	0.4
98.23390	0.4
98.98466	34.3
100.07615	0.6
101.03899	0.4
105.07062	0.4
107.08582	0.3
108.08130	2.0
109.06513	1.2
109.10162	0.5
110.09680	22.2
110.33991	0.2
112.07618	0.4
112.11261	0.4
112.81267	0.3
115.05434	0.5
116.99512	0.7
121.10217	0.3
124.11211	0.2
126.09166	0.6
128.10716	100.0
129.11053	2.1
140.10732	0.4
141.07028	0.4
144.10201	0.7
153.79881	0.3
156.10205	0.4
158.24898	0.3
174.99219	5.7
200.14333	4.8
228.82249	0.2
229.18263	0.4
251.00024	0.7
290.24820	0.5
303.11218	0.4
308.20145	0.4
308.25885	1.0
326.21091	31.5
326.26901	11.7
327.21472	2.3
327.24963	0.3
327.27151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2326
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
56.05032	1.6
58.06598	100.0
59.06927	0.9
67.05493	0.4
70.01641	0.8
70.06589	0.4
70.19974	0.3
73.05296	0.7
77.01607	0.4
81.07049	0.6
84.08124	0.4
84.33682	0.3
88.07629	1.5
93.07030	0.6
95.07335	0.4
98.98463	74.9
108.08086	0.4
110.09667	4.3
115.84602	0.3
116.99511	1.4
118.08667	1.8
128.10712	24.6
129.11050	0.6
140.01044	0.5
147.11726	0.4
174.99217	10.8
250.99998	2.4
286.52237	0.3
326.23062	24.8
326.26813	10.8
327.23370	1.3
327.26996	0.4
346.74188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2327
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
53.03953	0.5
55.01874	1.1
55.05503	1.3
56.05018	1.1
57.03428	1.4
57.03693	0.4
58.06585	0.5
62.64155	0.4
67.05503	4.4
69.07060	1.1
69.14930	0.9
69.15331	2.3
70.06592	0.9
71.04969	0.5
72.04509	0.8
72.08157	7.1
79.05490	7.3
81.03416	1.2
81.06591	0.3
81.07055	9.0
84.08154	0.9
85.02888	0.5
86.09709	4.8
91.05474	1.3
93.07043	3.3
95.04968	1.7
95.08607	22.8
96.08135	1.3
97.06538	2.5
98.09695	15.6
98.10319	1.0
98.23423	1.0
98.98469	72.0
99.08091	1.5
100.11266	0.4
103.05507	0.7
105.07037	8.7
106.26769	0.5
107.04990	0.8
107.08575	1.2
108.55682	0.5
109.06546	0.8
109.10122	0.5
110.07150	2.8
110.09712	0.6
113.09576	0.5
114.09186	0.9
116.99493	1.2
117.07036	0.9
119.08561	0.7
121.10194	0.6
123.08071	35.7
124.08421	1.0
124.11246	1.3
125.07957	0.6
128.10693	0.6
130.09422	0.4
131.08598	0.7
133.06497	1.9
137.06003	1.1
139.07619	0.5
142.12283	15.8
145.06599	0.4
149.09589	0.5
151.07535	6.6
155.84081	0.4
156.07677	1.8
163.07558	0.8
164.39635	0.4
167.24498	0.5
174.99229	9.6
185.16454	2.1
213.16003	2.0
251.00032	1.9
263.06815	0.5
283.20322	0.6
308.22223	3.2
326.23254	100.0
327.10413	3.4
327.23584	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	326.2479
Annotation	TOLTERODINE
Peak:m/z	Relative Intensity
67.63049	0.2
69.81215	0.7
70.92960	0.2
72.50901	0.3
81.07014	0.2
84.41512	0.2
91.05473	1.5
95.08615	0.2
98.09711	0.3
98.98470	7.8
108.08130	1.4
109.08216	0.4
109.08891	3.9
122.06014	0.6
123.06845	0.7
124.07585	0.4
136.07590	0.7
137.08357	19.7
138.08696	0.3
139.33292	0.2
150.09140	6.3
151.09981	1.1
164.10725	1.4
174.30554	0.2
174.99249	1.2
178.12332	0.3
192.13858	1.0
198.52733	0.3
252.54533	0.2
326.24771	100.0
327.25107	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	326.2481
Annotation	Tolterodine
Peak:m/z	Relative Intensity
51.53498	1.3
55.05500	1.9
57.07074	3.3
65.03938	2.2
67.05488	2.3
69.07072	4.4
69.48041	5.9
78.08663	1.4
81.07055	2.1
91.05482	100.0
92.05775	1.8
95.08584	3.0
96.08139	11.1
97.10155	1.9
98.19363	1.5
98.98470	26.8
105.07014	9.6
117.07046	4.7
119.08631	1.7
122.06073	1.7
131.08578	6.0
145.26196	1.2
157.10167	1.6
174.99239	4.9
231.17506	1.5
284.23721	2.6
286.55826	1.5
326.24796	98.9
326.30560	2.9
327.25125	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	326.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71502	0.6
53.58615	0.4
55.01867	1.2
55.05508	5.9
56.05037	1.2
57.03187	0.7
57.03440	8.5
57.07066	0.6
60.98484	0.5
65.03943	0.7
67.05157	1.0
67.05503	14.9
69.06719	0.8
69.07069	9.7
69.97312	0.8
69.97663	0.8
71.04997	0.8
72.04507	1.2
72.08160	7.1
73.06544	0.5
73.93144	0.6
77.86420	0.5
79.05486	4.2
80.16514	0.5
80.19172	0.5
81.07056	16.0
83.08620	4.0
85.06536	0.8
91.05479	1.4
93.07042	5.2
95.08607	22.5
97.06535	6.0
97.10164	1.4
98.09692	16.0
98.98462	1.4
99.08091	6.0
102.09167	1.0
105.07014	1.2
107.08583	3.3
109.10159	6.5
110.63786	0.6
113.09635	3.3
115.07607	0.7
119.08597	0.6
121.10141	2.0
123.11704	1.0
124.11243	0.7
124.15142	0.4
135.11674	1.9
142.12277	7.8
145.69241	0.7
149.13249	0.8
167.00725	0.6
238.30199	0.6
263.23532	0.9
308.29425	5.5
326.30518	100.0
327.30817	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	326.3053
Annotation	Oleoyl Ethanolamide
Peak:m/z	Relative Intensity
54.29660	0.4
55.05517	2.9
56.05025	0.8
57.03183	0.5
57.03440	6.5
58.06607	0.5
60.52718	0.4
67.05164	0.6
67.05501	8.4
69.07068	3.9
69.64200	0.7
69.64598	0.9
71.04996	0.5
72.04493	1.0
72.08160	4.4
72.24393	0.5
77.80605	0.4
79.05503	3.1
81.07054	7.3
83.08616	1.9
85.06548	0.8
86.09721	0.5
93.07044	2.3
95.08018	0.7
95.08607	9.2
97.06525	2.1
97.10171	0.6
98.09692	11.6
99.08093	1.9
102.09216	0.7
107.08585	1.6
109.10153	2.4
111.90721	0.4
112.81950	0.4
113.09644	1.4
121.10137	1.1
124.11240	1.0
135.11682	0.7
140.76575	0.4
142.12254	4.5
149.13252	0.6
158.15451	0.6
263.23691	0.5
290.28308	0.6
308.29501	5.9
326.30521	100.0
327.30820	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	326.3056
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05508	1.9
56.05030	0.7
57.03432	1.4
57.07078	14.9
58.07379	0.4
67.05511	4.6
69.07071	2.5
69.94280	1.6
71.05003	0.6
71.08630	7.3
72.04511	1.0
72.08149	3.9
73.10294	0.4
74.06082	6.9
79.05480	0.8
80.94830	0.5
81.07051	5.4
83.08610	2.0
85.09705	0.5
85.10187	7.9
86.09715	0.6
91.59719	0.4
95.08609	13.7
97.06526	1.5
97.10230	0.5
98.09695	14.6
98.98467	39.1
99.08105	1.1
107.15134	0.4
109.10159	3.6
116.99514	0.8
119.30141	0.4
124.11278	0.9
128.10730	1.0
137.08363	1.9
142.11172	0.9
142.12271	13.6
151.14853	0.7
169.15869	4.4
174.99217	5.6
250.99998	1.4
263.23785	0.9
280.11853	0.4
288.72150	0.5
300.07672	0.5
308.29691	1.2
326.24869	9.6
326.30527	100.0
327.25064	0.7
327.30835	6.3
341.03305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.9284
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01933	0.7
70.02255	1.0
94.93011	2.4
96.92818	2.2
98.23366	0.7
98.98453	0.9
114.89320	1.4
116.89127	0.8
117.11888	0.5
141.11269	0.5
155.11140	0.5
179.68634	0.5
182.94576	100.0
183.94902	0.7
208.88406	0.8
248.89647	1.5
250.89465	5.1
252.89229	0.9
261.72067	0.6
308.54163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
58.06602	24.9
65.03949	0.8
70.06593	7.5
70.31300	0.5
70.31613	0.5
72.08154	10.9
72.83411	0.4
77.01575	0.4
86.09711	11.3
89.05984	0.5
91.05489	7.2
95.04974	0.5
98.98469	100.0
107.04959	0.7
110.09663	0.5
116.07089	13.0
116.99495	1.4
119.04953	16.0
120.05215	0.6
128.10706	5.5
144.10236	0.6
147.04410	61.8
148.04707	2.1
165.05481	27.2
166.05765	0.6
174.99223	14.7
185.16470	4.8
212.08931	0.5
213.16003	3.4
243.66052	0.5
250.99976	2.8
263.07040	0.7
281.07990	0.6
309.07428	0.6
327.10626	0.8
327.14133	1.5
328.10242	2.1
328.21176	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	327.1077
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
51.30467	0.3
58.06331	0.6
58.06601	6.9
59.81050	0.3
65.03933	1.8
67.19453	0.3
67.66627	0.3
68.36864	0.3
69.03426	0.3
69.13289	1.6
70.06594	4.3
72.08151	2.3
77.01614	0.5
78.88067	0.3
81.07056	0.6
81.42443	0.3
84.08126	0.4
85.02908	0.9
86.09697	1.2
87.04460	0.6
89.06031	26.6
91.05479	15.5
92.05836	0.5
95.04968	0.6
97.02851	0.3
98.22684	0.6
98.98467	100.0
104.07057	0.3
107.07032	0.4
108.08121	0.8
110.07171	0.3
110.09686	3.1
110.74316	0.4
111.10029	1.1
116.07139	0.5
116.99503	2.0
119.04945	29.1
120.05235	0.4
121.02912	0.3
122.82774	0.3
123.04449	0.6
126.09133	0.6
128.10730	2.0
133.08603	13.8
142.12292	0.3
144.10197	1.4
147.04407	100.0
148.04778	2.7
149.11754	0.4
151.09592	0.3
165.05475	30.5
166.05800	1.0
169.13367	0.3
170.11766	3.4
171.12157	1.2
174.99225	14.1
177.11223	2.7
182.04942	1.0
197.12787	0.3
208.02898	0.9
229.15457	0.9
239.14877	0.4
251.00002	2.4
283.17374	0.9
310.20230	0.3
326.19479	1.3
326.22992	0.6
327.10901	0.4
327.14285	2.3
327.20120	4.0
328.21179	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	327.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01868	1.0
55.05516	2.4
57.03440	1.5
57.07063	0.5
59.04993	1.2
67.05504	4.1
68.99799	0.9
69.03430	6.3
69.07068	4.4
69.59863	0.7
69.60210	0.5
71.04987	0.6
72.08156	1.0
77.01632	0.4
77.03944	0.4
79.05486	3.4
81.07056	5.9
82.10541	0.3
83.04527	0.4
83.04985	5.2
83.08611	2.0
84.04526	0.4
84.08144	0.3
85.06535	1.6
86.90740	0.3
87.00843	1.5
87.04469	0.7
91.05486	2.7
93.07046	15.1
94.07375	0.3
95.04963	2.3
95.08611	9.7
95.09218	0.5
95.23677	0.2
96.08950	0.5
97.06539	2.6
98.09704	2.0
98.98468	100.0
99.08091	1.0
101.06029	1.5
105.04491	0.3
105.07005	1.8
107.04967	0.9
107.08594	3.7
109.06509	2.3
109.10144	2.5
111.04408	0.5
111.08086	5.7
114.09158	0.6
115.03951	1.0
115.07549	0.5
116.99507	1.8
117.07032	0.7
119.08568	1.6
121.06500	4.0
121.10149	3.6
123.08074	1.8
123.11716	0.6
124.08467	0.4
125.05999	0.8
125.09737	0.3
127.07549	0.5
128.10747	0.4
129.05499	1.5
129.09105	1.8
130.05026	1.2
131.08589	0.8
133.10126	2.0
135.08058	1.2
135.11697	4.2
135.83240	0.3
137.09615	0.7
139.03906	0.4
139.07539	6.8
139.08542	0.4
140.01117	0.5
142.12306	0.7
143.07077	0.9
145.10152	0.7
149.05998	2.0
149.13217	1.6
151.11186	3.8
157.08617	1.7
159.11691	3.0
163.11124	0.4
165.09219	0.3
167.07013	1.0
171.06549	0.4
174.99226	14.9
177.12740	5.4
185.08138	0.6
187.11208	0.4
195.13803	10.7
205.12198	1.6
211.63130	0.4
223.13263	3.6
224.03842	0.4
241.14355	16.4
242.14662	0.6
251.00092	2.4
280.60156	0.3
283.15442	0.4
298.07993	0.5
309.09851	0.3
309.13293	9.8
310.13586	0.4
310.23755	1.2
326.23267	0.6
326.26990	0.5
327.07672	1.2
327.10376	1.5
327.14343	13.2
327.17865	7.9
327.23566	2.4
327.27249	0.8
328.14771	0.5
328.24847	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
56.07755	0.3
56.25364	0.3
57.03430	0.7
67.05495	0.8
69.72074	1.1
72.08164	1.1
79.05486	0.7
79.22105	0.4
81.07035	1.1
83.08640	0.7
86.09700	0.6
93.07056	0.9
97.10177	1.8
98.09680	2.4
98.98463	32.8
107.08586	1.1
119.08570	0.4
125.09657	1.8
128.73291	0.3
142.12289	1.6
174.99211	5.3
178.53210	0.4
180.38487	0.3
251.00049	0.5
253.14326	0.4
267.36801	0.3
309.16522	0.4
310.23764	1.0
327.17761	100.0
328.18384	6.3
328.24762	19.4
328.28687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78955	0.3
55.05508	1.5
57.03432	0.4
67.05502	0.4
69.07069	0.4
69.19038	1.6
70.39442	0.3
72.08146	1.1
79.05487	0.8
81.07053	0.8
83.08624	0.9
86.09698	0.4
93.07036	0.5
93.22633	0.3
95.04935	0.3
95.08612	0.5
97.06506	0.3
97.10161	1.9
98.09694	2.2
98.98467	29.0
104.53198	0.3
107.08596	0.7
116.99512	0.4
125.09641	1.1
128.10782	0.3
133.10167	0.3
134.65102	0.3
138.94113	0.3
139.07295	0.3
142.12268	1.5
174.99225	3.8
189.11153	0.5
232.05405	0.3
250.99925	0.4
303.14133	0.3
310.23816	1.1
327.17776	100.0
328.18484	4.6
328.24802	19.1
330.67746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05503	1.3
57.03432	0.9
57.07066	0.4
62.17735	0.3
67.05507	1.9
69.07068	2.9
69.19269	1.3
69.19671	0.8
71.04983	0.8
79.05495	1.1
81.03405	0.4
81.07057	3.6
83.08611	0.8
84.71839	0.3
85.06549	1.1
91.05492	0.6
93.07043	1.4
93.91799	0.3
95.04956	0.5
95.08611	2.7
97.06523	1.0
97.10130	0.5
97.67991	0.3
98.09682	0.5
98.98465	100.0
99.08105	0.9
105.07049	0.8
107.08609	1.5
109.10139	1.0
111.08050	0.6
116.99516	2.0
119.08604	0.7
120.08089	1.0
121.10164	0.9
123.08080	0.5
123.11716	1.0
124.11980	0.3
128.10728	3.0
129.11060	0.6
135.11673	0.6
142.12303	0.5
145.10167	0.4
149.13266	0.8
151.14888	0.4
153.12788	0.4
174.99217	15.0
175.99539	0.4
192.57909	0.3
221.15604	0.3
228.99030	0.3
233.08638	0.3
245.44061	0.3
251.00092	2.6
251.02377	0.5
273.18494	0.7
291.19608	0.9
304.56552	0.3
309.16830	0.5
309.27905	0.6
310.27481	0.6
327.17764	99.0
327.27301	2.3
328.18246	5.2
328.24564	6.1
328.28534	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	327.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55314	0.3
62.74894	0.3
63.22200	0.4
67.05493	0.5
69.07056	0.7
70.06599	0.6
70.52829	0.5
72.08151	1.0
75.53690	0.3
77.01585	0.6
79.05482	1.0
81.07044	0.8
86.09673	0.4
89.06039	0.4
91.05486	0.7
92.90456	0.3
93.07042	0.7
95.08598	1.6
96.08119	0.4
96.08924	0.6
97.06463	0.4
98.09696	1.4
98.98465	100.0
101.32825	0.3
103.05470	0.6
105.07033	1.0
106.07426	0.4
107.08592	1.2
114.09161	0.6
116.99500	1.9
123.08079	1.3
124.08429	1.3
133.06496	1.1
135.08070	0.6
135.11665	3.6
137.05960	2.6
140.01082	0.3
141.92223	0.3
142.12244	0.7
145.06422	0.3
151.07533	1.0
163.07497	1.5
174.99217	14.5
177.09224	0.3
195.55971	0.3
196.65329	0.3
251.00078	2.1
295.13239	0.5
308.93848	0.3
309.22491	0.6
310.16422	1.7
310.23959	0.4
327.10461	4.8
327.17773	65.5
327.23462	12.6
328.18130	4.5
328.24908	2.8
339.66370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42802	1.1
55.04431	1.2
55.05515	3.8
57.07082	2.1
59.05027	1.2
67.05508	12.0
69.07080	6.2
69.54778	3.8
70.06599	1.4
79.05485	7.4
81.07063	11.6
83.08633	2.5
85.06535	2.3
91.05468	13.3
93.07047	22.9
95.04964	22.6
95.08598	21.9
97.06525	6.5
98.98469	100.0
105.07034	21.9
107.04933	1.4
107.08590	8.3
109.06517	3.8
109.10169	5.9
116.99514	2.0
117.07018	5.5
119.08593	18.0
121.06493	4.0
121.10145	8.8
123.08076	4.4
123.11710	2.9
129.07007	2.9
130.07800	2.1
131.08566	9.8
133.10135	16.1
135.08063	4.2
135.11729	4.1
142.07777	3.1
143.08551	5.8
144.09274	2.2
145.10109	12.0
147.11687	4.5
149.09666	1.6
149.13310	1.6
155.08574	2.4
156.09363	1.9
157.10112	9.3
158.10963	1.6
159.11702	13.7
161.09621	4.7
161.13297	2.4
169.10121	4.4
171.11717	5.0
173.13275	5.9
174.99240	14.8
175.14813	5.8
182.10912	2.3
183.11668	4.1
185.13225	2.2
187.11057	1.8
187.14836	5.2
192.67587	1.4
194.10780	1.6
195.11693	1.4
197.13272	3.1
199.14809	2.8
201.16345	1.5
209.13344	2.5
211.14839	2.9
213.16522	2.1
215.14352	1.8
217.16083	1.6
221.13243	1.9
229.15930	1.9
234.14014	1.3
235.14897	1.8
251.00015	2.9
309.22253	1.8
327.07935	1.9
327.23297	3.8
328.32065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36613	0.6
56.96567	0.8
60.05658	4.6
61.33292	0.6
70.06592	16.3
70.08312	1.8
73.02785	0.6
75.82593	0.5
83.00959	5.2
84.33612	0.6
85.07662	0.6
86.09710	4.7
97.07656	2.1
98.23318	0.8
98.98466	100.0
100.03620	0.8
100.98862	0.8
101.02013	4.0
112.03585	7.6
112.08707	1.2
114.05125	0.7
116.99494	1.3
118.04642	2.4
118.07162	0.9
127.07217	1.1
128.05563	1.8
128.69447	0.6
130.04628	3.3
132.06226	1.3
136.08183	0.6
137.05626	1.9
138.04089	0.7
140.06683	1.8
142.08249	6.4
143.06763	0.7
144.05101	1.2
145.08272	0.9
146.06630	0.9
150.05229	0.6
151.08290	1.0
152.06664	4.1
153.05080	2.6
153.09824	1.7
154.08240	4.4
154.94244	0.9
155.06648	20.6
156.05023	4.8
156.06941	0.8
157.10840	2.1
158.07727	0.9
160.09372	2.9
162.06165	1.1
168.06216	3.1
169.09354	15.7
170.07773	2.5
170.09483	0.7
171.04529	0.7
171.06140	2.8
171.10909	30.0
172.09380	8.5
172.10831	1.3
172.94315	3.1
173.07722	44.6
174.06395	0.8
174.07957	2.3
174.97765	1.1
174.99213	8.9
175.99483	1.0
176.98949	2.8
179.07808	1.9
180.06210	1.7
181.92508	0.6
182.07787	0.9
186.07236	1.5
187.05641	1.3
187.10410	6.4
189.11969	21.3
190.12238	0.8
190.95384	1.4
194.12491	0.7
197.08826	9.7
198.07266	2.7
200.08807	1.0
208.10245	0.9
208.96513	0.8
213.14336	0.7
214.95441	2.4
215.09894	40.1
216.08250	7.8
216.10144	2.0
219.01915	1.0
232.96466	7.5
233.10942	12.8
238.11763	0.6
238.13985	18.4
239.12131	1.6
239.14401	0.8
240.15591	2.3
241.13963	1.8
242.17198	1.3
250.13962	3.4
250.97577	2.9
250.99829	0.9
251.12349	1.2
253.00032	0.9
257.13409	1.4
268.15036	31.9
268.17966	1.6
269.13364	2.4
269.15485	1.9
286.16104	76.0
287.16666	5.7
292.16278	0.6
304.17395	0.9
305.17548	3.3
310.17212	34.0
311.17334	2.6
328.18268	77.8
329.18588	5.1
346.04849	6.0
346.19296	9.4
351.19977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
55.47639	0.9
56.05026	2.5
57.03418	1.5
58.06602	94.9
59.04733	1.6
59.05004	19.0
59.06927	0.9
66.07310	0.7
67.05501	1.3
69.03446	1.3
69.07055	2.1
69.36879	3.1
70.06235	0.7
70.06590	18.9
71.04981	1.2
72.07784	1.6
72.08160	23.8
73.06557	97.6
74.06085	1.4
74.06863	1.1
79.05501	1.2
81.03421	1.0
85.02914	7.6
86.09711	27.1
88.07638	2.0
91.05466	1.3
93.07016	1.7
95.05033	1.0
97.02898	1.6
97.06533	1.2
98.98470	95.5
110.07166	2.5
110.09680	5.4
116.07101	30.9
116.99463	1.3
117.09128	3.4
118.08665	2.4
119.08652	1.3
120.08066	1.5
127.03945	1.8
128.10719	26.4
131.08493	0.8
131.10690	11.5
132.29109	0.8
147.04359	1.7
147.31689	0.8
148.04776	0.9
148.07597	0.9
149.11737	42.4
168.78595	0.8
173.50111	0.8
174.99219	8.6
176.98975	3.3
183.28654	0.7
185.16498	12.3
193.32188	1.0
213.15941	7.1
251.00050	1.3
252.99649	1.3
288.97177	1.1
310.20020	2.8
328.21185	100.0
329.21582	4.4
329.24927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05505	0.5
56.05033	1.4
57.03421	0.7
58.06600	53.1
59.06933	0.7
67.05495	1.7
69.13412	1.8
70.06594	1.0
70.34494	0.3
72.08153	3.1
79.05495	1.8
81.03454	0.6
81.07059	5.3
83.04994	0.8
84.08186	0.5
85.02905	0.5
85.06549	0.4
86.06060	0.7
87.24844	0.3
88.07634	0.9
91.05476	2.1
93.07032	1.4
94.06565	0.4
94.83525	0.3
95.04980	0.6
95.08597	0.4
96.08144	1.3
97.06517	0.4
98.09719	0.5
98.98468	32.1
100.07613	0.7
105.07040	0.8
106.74979	0.3
107.04980	0.3
107.08624	0.4
108.08118	0.7
109.06516	6.9
109.07220	0.5
110.09650	0.3
111.04432	0.3
114.99123	0.3
116.99534	0.5
117.07055	0.5
118.08640	0.5
119.04953	0.8
119.08569	0.4
122.09681	1.3
127.07574	0.4
128.10719	0.9
129.07039	0.4
131.08542	0.5
133.06544	0.4
133.10187	0.5
137.05984	2.9
140.10687	0.3
144.10204	1.6
145.10237	0.3
157.10179	0.3
174.99225	3.4
176.98961	1.2
248.20361	0.5
252.99583	0.5
284.22195	0.8
292.19025	1.5
310.20142	2.4
318.17706	0.3
328.21173	100.0
329.21490	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	328.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.8
58.06602	61.3
61.46203	0.4
67.05518	0.4
69.07091	0.6
70.06595	3.4
70.93320	0.5
71.83772	0.4
72.08160	1.1
73.05285	0.6
73.35193	0.4
79.05502	1.3
81.07050	0.6
82.06590	1.2
84.08144	0.8
86.09700	1.7
88.07630	0.9
93.07059	0.9
94.06580	0.4
95.07357	0.5
96.08134	0.5
97.06545	2.4
98.98470	100.0
100.98904	0.7
106.72288	0.4
107.04954	0.6
108.08144	1.5
110.09686	13.6
115.23897	0.4
116.07136	0.7
116.99494	1.7
118.08652	0.9
126.09123	0.4
128.10721	80.7
129.11086	2.2
137.51419	0.3
144.10210	1.0
166.08636	1.1
166.72954	0.4
170.11728	0.6
174.99236	9.3
175.99615	0.9
176.98912	3.7
186.14880	1.3
205.97350	0.4
206.61940	0.4
251.00095	0.6
252.99710	1.5
268.19370	0.4
310.20230	1.8
328.21185	58.4
329.12015	0.7
329.21606	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	328.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
56.05037	1.5
58.06601	100.0
59.06929	0.8
62.78213	0.5
69.59481	1.6
70.06593	15.9
72.08155	24.9
73.05314	0.6
73.06559	5.2
73.08488	0.8
79.05542	0.5
86.09705	27.0
88.07626	2.2
88.08150	0.4
96.08188	0.6
98.23502	0.5
98.98465	31.7
110.09702	2.2
116.07090	39.5
118.08665	1.8
119.04945	0.6
128.10719	9.1
131.10657	0.6
147.04413	1.9
148.04756	1.9
149.11751	1.4
156.22018	0.4
165.05489	0.6
166.05815	1.1
172.72574	0.4
174.99211	3.2
176.98964	0.8
177.20911	0.5
185.16489	15.6
186.16704	0.6
212.08817	0.7
213.15994	7.9
229.15559	1.2
238.89546	0.5
252.99783	0.6
265.36285	0.5
310.19922	0.7
328.10126	2.1
328.21173	46.6
329.21469	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	328.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03967	0.5
52.61639	0.6
55.92104	0.5
56.05037	3.5
58.06599	8.0
60.14016	0.6
67.05502	1.6
68.05019	1.7
69.07069	2.8
69.11640	3.1
70.06590	21.9
72.08150	4.0
77.70805	0.6
79.05514	3.3
79.05883	0.6
81.07064	3.3
82.06583	6.9
84.04515	0.9
84.08138	5.7
86.06075	1.4
86.09717	2.5
91.05482	1.6
93.07037	2.7
94.06556	0.9
95.04975	0.8
95.07333	3.1
95.08594	0.9
96.08134	1.5
97.06537	0.8
98.09687	2.4
98.98466	85.0
101.72975	0.6
101.90514	0.6
108.08118	16.5
110.09678	77.9
111.10012	1.6
114.09177	1.6
114.43389	0.6
116.99477	0.9
121.69672	0.7
126.09155	15.1
128.10718	5.8
132.10124	0.7
133.07579	0.6
133.10179	0.7
136.07587	2.2
139.75851	0.6
144.10196	82.3
145.10542	1.6
147.94341	0.6
169.13350	5.0
170.11758	100.0
171.12100	2.3
174.99208	8.3
175.99672	1.0
176.98979	3.6
181.54607	0.6
197.12869	4.1
215.13922	1.5
225.08430	0.5
250.99963	0.9
252.99747	1.6
268.19028	3.9
310.20291	0.7
310.23730	1.6
328.21188	99.4
328.24640	6.7
329.15878	3.7
329.21597	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	328.2485
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
55.01871	0.5
55.05509	1.0
56.05035	0.5
57.03185	0.4
57.03443	6.0
67.05505	2.8
69.07072	2.5
69.57725	1.4
70.06599	0.5
72.04495	0.5
72.08157	4.0
73.64444	0.3
74.22163	0.4
79.05501	5.0
81.07061	4.4
83.04992	0.7
83.08621	0.4
84.08160	0.4
85.06543	1.0
86.09714	1.8
91.05473	2.4
93.07051	5.3
95.04971	0.7
95.08603	3.3
96.08106	0.4
97.06540	2.1
98.09697	11.0
98.98473	15.0
99.08097	1.7
102.09167	0.4
105.07021	2.6
107.04914	0.4
107.08594	3.6
109.06509	1.0
110.09668	0.4
111.08092	1.5
113.09644	1.3
114.09135	0.4
115.07570	0.6
116.99491	0.4
117.07018	1.4
119.08588	1.7
121.06518	0.4
121.10127	0.7
123.08051	0.8
124.11284	0.4
125.09612	0.8
129.07008	0.6
131.08565	1.4
133.10143	2.0
135.08055	2.4
142.12257	3.9
143.08615	0.4
145.10118	1.6
147.11700	1.2
151.11172	0.4
153.09123	0.8
157.10146	0.8
158.15375	0.7
159.77484	0.3
166.48874	0.3
173.13263	0.4
174.99239	1.3
175.11215	0.8
176.98909	0.5
227.06340	0.3
239.70901	0.3
310.23758	6.7
328.24823	100.0
329.25150	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65037	0.3
55.01867	1.0
55.05508	10.0
56.05042	0.6
57.03431	2.4
58.06610	0.6
59.05003	0.4
67.05504	3.8
69.03424	1.6
69.07061	2.6
70.06586	0.5
70.20211	0.5
70.20541	0.4
72.04518	1.0
72.08155	4.0
73.06144	0.3
78.09259	0.3
79.05492	5.0
81.03417	0.4
81.07055	4.5
83.04990	1.2
83.08615	8.1
84.08185	0.4
85.06556	0.6
86.09716	1.0
91.05500	1.6
93.07039	3.2
95.04964	0.6
95.08614	1.4
96.08125	0.3
97.06535	2.6
97.10168	16.5
98.09694	15.8
98.98466	25.1
99.08110	1.1
99.56503	0.3
101.09723	0.3
102.09225	0.3
105.07050	1.1
107.08585	4.9
109.06519	0.7
109.10127	0.4
111.08092	1.0
113.09658	0.5
117.07021	0.7
119.08597	1.0
119.83987	0.3
121.06446	0.5
121.10143	0.4
124.11242	0.9
125.08702	0.7
125.09631	14.3
131.08557	0.5
133.10158	0.5
135.08066	1.8
142.12270	12.7
143.10657	0.6
143.12727	0.4
145.10109	0.4
147.11725	0.4
153.09109	0.5
158.71722	0.3
159.11707	0.4
171.10176	1.0
174.99252	2.6
176.98952	1.1
189.11221	4.5
193.95915	0.3
217.70148	0.3
229.15686	0.3
247.16905	0.8
265.17944	0.4
304.30994	0.3
310.23779	3.5
328.18173	7.7
328.24799	100.0
329.18988	0.9
329.25192	6.1
341.00308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05508	2.2
56.05029	1.4
57.03438	9.1
57.07056	0.3
58.02962	1.2
58.06600	4.4
64.11221	0.3
67.05501	5.4
68.05061	0.4
69.07072	3.9
70.06587	1.4
71.05015	1.7
71.08620	0.6
72.08150	3.2
74.06087	0.6
79.05493	4.2
81.07058	8.2
81.77637	0.4
83.04968	0.6
83.08624	1.2
84.08140	23.7
85.06548	2.1
86.09701	6.9
86.65322	0.4
88.07607	0.8
91.05475	2.0
93.07037	5.3
93.33779	0.4
95.04974	0.7
95.07333	0.6
95.08600	7.6
96.08128	1.1
97.06526	2.4
97.10167	0.9
98.09690	2.4
98.98465	65.3
99.08096	1.5
100.98887	0.5
104.10722	0.6
104.99284	0.4
105.07025	1.7
107.08598	4.0
109.06499	0.6
109.07643	0.3
109.10148	2.9
110.09660	3.7
111.08100	0.9
112.11236	1.2
113.09642	1.1
113.60753	0.4
114.09212	0.8
116.99517	1.6
119.08568	1.7
121.10098	1.9
123.08127	0.3
123.11723	0.5
124.11275	0.6
125.09642	0.7
126.05508	0.4
126.12806	0.5
128.10710	14.3
129.11038	0.7
133.10147	1.5
135.11679	1.8
142.12279	0.8
145.10066	0.5
147.11710	1.3
149.13271	1.5
159.11656	0.5
161.13237	0.5
173.13351	0.5
174.99214	7.0
175.14793	0.4
175.99562	0.7
176.98874	2.4
185.15370	0.5
189.16389	0.6
239.13873	1.0
251.00081	0.6
252.99840	1.1
279.23352	0.5
292.20020	0.6
292.26349	7.6
293.26633	0.5
302.01587	0.4
310.27390	16.7
311.27817	1.3
328.28442	100.0
329.19431	0.5
329.28766	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	328.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68705	0.4
53.03939	0.5
55.05513	8.9
56.05036	1.4
57.03191	0.5
57.03441	7.9
57.07075	2.5
58.06585	0.5
62.47036	0.4
67.05161	0.7
67.05505	9.2
69.07072	13.2
69.07443	0.9
69.55346	0.4
70.73947	0.9
71.04987	1.2
71.08628	1.8
72.04508	1.1
72.08161	5.7
79.05505	2.8
81.07060	12.8
83.04968	1.0
83.08174	0.7
83.08621	6.2
84.08144	1.0
84.49036	0.4
85.06562	0.7
85.10186	1.2
93.07050	3.4
95.04919	0.5
95.08607	17.2
97.06530	4.2
97.10173	4.8
98.09058	1.0
98.09695	15.9
98.98470	9.9
99.08092	5.7
102.09155	0.5
104.99329	0.5
107.08577	2.5
109.10159	4.2
111.08102	0.8
111.11710	0.9
113.09641	2.5
115.07568	1.0
121.10188	2.1
123.11700	1.4
124.11259	0.9
125.09654	0.8
126.19832	0.5
127.19341	0.5
135.11714	2.3
137.13223	0.5
142.12288	9.5
149.13264	1.3
174.99219	1.4
209.92661	0.4
247.24347	0.7
265.25217	1.2
292.30078	0.7
310.31027	5.8
328.18887	1.7
328.32086	100.0
329.32471	6.3
350.08929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.3211
Annotation	N-(2-Hydroxyethyl)octadecanamide
Peak:m/z	Relative Intensity
53.03955	0.4
55.01876	0.4
55.05512	4.0
56.05037	1.1
57.03184	0.6
57.03442	8.0
57.07079	1.7
58.06603	1.2
67.05502	5.3
69.03409	0.4
69.07068	7.0
70.06594	0.6
70.61211	0.7
71.04999	0.6
71.08628	0.8
72.04507	1.1
72.08157	4.7
74.06067	0.7
79.05497	2.3
80.94872	0.3
81.07059	7.0
83.04977	0.5
83.08627	3.6
84.08138	0.6
85.06549	0.7
86.09716	0.4
88.07619	0.4
88.23062	0.3
91.05482	0.5
93.07034	1.9
95.08612	7.8
96.08132	0.4
97.06538	1.9
97.10175	2.7
98.09695	15.6
98.98467	58.3
99.08107	2.4
100.98922	0.6
104.99281	2.4
107.08585	1.6
109.10157	2.3
111.08092	0.6
111.11716	0.9
113.09653	2.6
115.07555	0.6
116.99502	1.3
121.10173	0.8
123.11737	0.7
124.11195	0.7
125.09635	1.0
135.11673	0.9
142.12276	7.0
149.13255	0.3
158.15370	0.5
159.11726	0.4
164.92093	0.4
172.94368	0.8
174.99219	5.8
175.99583	0.5
176.98940	2.0
183.04514	0.4
190.95448	0.7
214.95712	0.4
232.96420	1.1
247.00455	0.7
252.99715	0.8
265.25256	1.1
292.29858	0.5
310.31015	6.6
311.31491	0.5
328.18936	8.9
328.32080	100.0
329.19043	1.1
329.32455	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	328.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.05513	12.4
57.07075	8.0
57.46628	0.3
57.66597	0.3
58.06379	0.3
58.06603	2.7
60.04526	32.7
61.04847	0.3
69.07071	17.9
70.07372	0.3
70.84391	0.6
71.08634	4.3
71.99483	0.3
72.04522	0.3
81.07037	0.5
83.08121	0.6
83.08620	11.5
84.84952	0.3
85.10180	2.0
85.93144	0.3
86.06067	3.2
97.10172	11.2
98.10501	0.3
98.98470	5.6
111.11720	3.9
125.13261	1.2
174.99210	0.4
176.98895	0.3
200.54503	0.3
268.29984	100.0
269.30325	5.9
310.31024	31.8
311.31314	2.0
328.32040	5.7
329.32477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50472	1.2
53.03943	1.3
55.01881	1.9
55.05510	24.6
57.03434	4.0
57.07077	20.4
59.46647	1.2
67.05499	31.1
69.07066	36.3
69.40162	4.6
70.06590	7.5
71.04993	2.0
71.08628	13.2
74.06071	3.3
76.52596	1.3
79.05495	21.5
81.07057	40.3
83.08617	26.4
85.06542	2.3
85.10167	5.2
88.07642	9.4
91.05476	3.7
93.07043	28.3
95.08605	29.9
97.06539	14.0
97.10165	15.6
98.98462	100.0
100.98871	1.3
102.09202	2.4
104.99270	3.6
106.08661	3.4
107.08593	18.9
109.10166	13.4
111.08070	5.4
111.11713	3.7
111.99178	1.4
115.11214	2.0
116.99467	2.6
121.10143	40.1
121.69952	1.5
123.11716	9.6
125.09630	4.2
125.13278	1.5
127.11301	1.2
133.10135	1.6
135.11693	30.0
137.13272	10.2
137.42235	1.4
139.11209	2.2
141.12755	1.4
149.13255	11.8
151.14912	1.8
152.36212	1.4
153.12714	2.2
163.14830	5.0
167.14227	2.0
174.99231	10.0
176.98911	3.0
177.16400	1.3
181.15933	2.0
213.51392	1.4
219.21071	36.7
235.98462	1.5
237.22096	29.8
247.00418	2.3
255.23154	3.8
270.93744	1.3
311.25772	19.6
312.26224	1.6
312.32559	3.3
329.27112	1.6
329.32248	1.8
330.33636	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59786	0.2
55.05510	0.5
56.05034	1.3
56.37941	0.2
57.03422	0.6
58.06598	28.5
59.04977	0.3
59.06936	0.5
67.05505	1.3
69.07065	2.2
70.01009	0.4
70.01348	0.5
70.06586	1.7
72.04523	0.2
72.08155	3.0
73.06564	0.3
73.90125	0.2
79.05485	2.5
81.01550	0.2
81.03414	0.3
81.07066	1.6
83.04977	0.3
84.08129	0.5
85.02898	0.3
86.06059	0.3
88.07640	0.4
91.05479	1.9
93.07039	1.1
95.04987	0.5
95.08588	0.8
96.08151	0.5
97.06518	1.1
98.09693	1.1
98.22775	0.3
98.98463	35.0
100.07615	0.8
100.98875	0.6
105.07014	1.5
107.08612	0.8
108.08091	0.4
109.06480	1.2
109.10146	0.3
110.09660	0.5
111.49626	0.3
116.99509	0.5
117.07041	0.5
117.98942	0.2
118.08645	0.4
119.08541	0.6
121.10145	0.3
123.08038	0.9
125.06001	0.7
127.07584	0.3
128.10765	0.2
131.08562	0.8
133.06480	2.8
133.10098	1.2
136.11211	1.4
137.05972	0.8
142.12294	0.6
143.07016	1.1
144.10197	0.4
145.10114	0.3
147.11710	0.6
159.11688	0.6
159.23111	0.3
161.09550	0.3
168.75247	0.2
173.13286	0.4
174.99254	2.0
175.11136	0.2
175.99648	0.3
176.98909	2.4
219.95404	0.2
245.15639	0.3
252.99648	0.5
261.45490	0.2
268.19019	0.5
268.22659	0.3
270.20682	0.5
287.78024	0.2
294.20587	2.0
312.21643	3.8
312.25064	0.4
313.21967	0.5
330.22723	100.0
331.23053	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	330.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05022	0.8
57.03434	0.4
58.06598	14.6
61.32497	0.3
64.00877	0.2
65.90540	0.2
67.05497	0.7
68.05018	0.3
69.03452	0.3
69.07063	0.3
70.06588	0.9
70.52076	0.4
72.08152	1.8
79.05467	1.0
81.07028	1.2
82.06584	0.4
84.08140	3.6
86.06048	0.5
86.09729	0.3
88.07628	0.6
91.05471	1.3
93.07025	1.0
95.08602	0.4
96.08125	1.1
98.09683	0.7
98.98462	8.8
100.07607	0.6
105.07020	0.3
107.08587	0.4
108.08125	4.3
109.06464	0.3
109.10113	0.4
110.09702	1.4
111.08091	0.3
117.06951	0.3
119.08559	0.4
126.09143	7.1
127.09414	0.3
128.10732	1.2
133.10103	0.6
133.77602	0.3
137.88539	0.2
144.10191	29.7
145.10478	0.8
176.98845	0.5
210.14890	0.4
250.21625	0.6
268.22665	0.9
276.19467	1.3
286.23697	0.7
294.20599	3.4
312.21686	8.8
313.21979	0.4
330.22726	100.0
331.23065	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	330.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
56.04988	1.7
58.06599	27.9
58.06866	1.0
67.05471	1.3
69.07028	0.4
70.06593	2.1
71.04977	0.7
71.35558	0.4
72.08146	3.7
77.12019	0.4
79.05491	3.0
81.07020	1.8
83.04937	0.5
84.08109	1.3
88.07588	1.3
91.05483	3.5
91.61581	0.5
93.07046	7.1
93.63576	0.4
95.04948	0.7
95.08563	0.7
96.08095	1.0
97.06474	0.6
98.98463	42.1
100.98866	1.2
105.06986	1.4
107.08558	1.3
108.08105	2.8
109.06383	0.5
109.20026	0.4
110.09649	2.3
116.07013	0.5
117.06969	1.1
119.08562	1.5
122.09634	0.9
124.11213	0.4
126.09102	1.3
128.10703	3.0
131.08536	0.8
133.10081	0.9
135.08037	2.2
136.11180	0.4
143.08485	0.5
144.10205	3.5
145.10092	0.9
174.99255	2.3
176.98900	3.3
222.27097	0.4
250.17966	1.1
252.99808	0.5
276.19598	3.9
294.20633	8.8
294.23779	0.8
312.21671	60.9
313.21988	4.5
330.22729	100.0
331.23083	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	330.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90535	0.3
51.78809	0.3
55.05504	1.0
56.05040	1.5
57.03435	0.5
58.06599	13.6
64.53680	0.3
67.05505	2.0
68.04981	0.3
69.03401	0.3
69.07063	0.8
70.06593	1.7
70.58479	0.6
72.08150	3.4
79.05486	1.5
81.07062	1.7
82.06580	1.3
83.05030	0.3
83.08637	0.5
84.08141	3.1
85.02912	0.4
86.06068	0.5
88.07612	0.5
91.05488	1.5
92.10202	0.3
93.07019	2.2
94.06591	0.4
95.08595	1.9
96.08125	3.2
98.09697	1.3
98.98462	49.0
100.07607	0.4
100.98879	0.5
105.07032	0.8
107.04945	0.4
107.08622	0.7
108.08118	6.1
109.06511	0.7
109.10077	0.6
110.09679	1.5
112.11187	0.4
116.99495	0.9
118.08646	0.4
119.08594	0.5
122.09640	0.9
124.07573	0.4
126.09145	7.5
128.10725	0.9
130.08681	0.4
133.10120	0.4
134.09662	0.7
138.09216	0.4
144.10190	28.7
145.10405	0.5
148.11209	0.7
150.12740	0.5
152.10698	0.4
171.14969	0.5
174.99217	2.1
175.99597	0.8
176.98930	2.6
179.04781	0.3
182.19077	0.6
199.14232	0.4
208.17050	0.6
209.28711	0.3
210.18562	0.9
222.21999	0.5
232.20647	1.4
236.16368	0.4
248.20181	0.6
250.17961	0.4
250.21640	2.8
252.19690	0.8
252.99690	0.7
264.19650	0.5
266.21127	0.9
267.69070	0.4
268.19952	0.4
268.22690	2.6
270.20679	1.0
276.19565	2.6
286.23761	0.6
294.20648	12.4
294.24136	1.1
295.21042	0.8
312.21704	18.3
312.25311	2.0
313.21942	1.0
323.71539	0.3
330.22739	100.0
330.26230	6.9
331.23141	6.5
331.26746	0.6
332.88086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.8
56.05042	0.8
57.05810	0.5
58.06599	5.1
62.06104	0.3
67.05507	0.5
68.05013	0.4
69.07064	1.5
69.71671	1.0
70.06593	0.7
72.08156	100.0
73.08497	1.1
79.05503	0.9
81.07064	1.2
83.40855	0.3
84.08145	1.7
84.41211	0.3
86.06083	1.7
86.09709	13.6
86.56583	0.3
91.05471	0.5
93.07063	0.5
95.08619	0.4
96.08106	0.5
98.09687	0.8
98.98472	11.7
100.07620	0.5
105.07040	0.5
105.74426	0.3
108.08129	1.3
109.06516	0.6
110.09715	0.7
111.08098	0.5
116.10727	0.7
117.07014	0.3
118.08637	0.5
126.09148	1.6
128.10712	0.8
132.10254	1.7
144.10191	6.9
144.11261	0.4
170.11780	0.6
171.14925	31.1
172.15239	0.9
174.99196	0.8
176.99005	0.7
185.16496	7.6
198.11279	3.5
199.14418	20.2
208.92036	0.3
210.18436	0.4
213.15964	4.7
216.12326	3.8
217.15553	0.8
231.17024	3.8
270.20648	0.6
294.20557	1.1
312.18277	0.6
312.21725	2.9
312.25082	0.5
330.22745	27.2
330.26089	1.3
331.17236	1.0
331.23080	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61734	0.4
53.86253	0.3
55.01860	0.4
55.05501	0.9
56.05014	0.6
57.03433	2.4
58.62619	0.3
63.61652	0.4
65.23766	0.3
67.05517	3.1
69.07071	1.9
70.06587	0.7
71.04994	0.8
72.08150	2.4
79.05502	1.3
81.07053	3.1
82.70116	0.4
84.08160	0.8
85.06583	0.6
86.09702	100.0
87.10029	1.6
91.05463	0.5
93.07034	1.9
95.08611	3.1
96.08156	0.6
97.06514	1.2
97.10165	0.4
98.09677	4.4
98.98464	29.3
99.08063	0.6
100.98888	0.7
105.06996	0.7
105.36006	0.3
107.08601	0.7
109.06490	0.4
109.10131	1.7
110.09711	0.3
113.09634	0.9
114.09123	0.5
115.07626	0.4
116.30867	0.4
119.08609	0.8
121.10065	0.6
123.08032	0.4
123.11665	0.4
129.92226	0.4
133.10127	0.5
142.12288	1.7
146.11752	35.2
147.12059	1.2
151.73016	0.4
157.13359	37.1
157.49644	0.4
158.13690	0.8
174.99237	1.2
176.98944	1.6
185.12842	18.8
186.13251	0.4
259.20163	2.3
261.28714	0.4
273.79001	0.4
294.24442	0.9
312.25287	4.2
330.26401	32.2
330.30008	3.2
331.07990	0.5
331.26825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	4,8 dimethylnonanoyl carnitine
Peak:m/z	Relative Intensity
55.01870	0.5
55.05521	1.9
56.05033	0.5
57.03182	0.5
57.03442	7.3
58.06606	0.5
64.73549	0.4
67.05502	6.7
69.07066	3.5
69.18721	0.7
69.19119	1.4
69.44403	0.3
70.06600	0.5
71.04994	0.7
72.04507	0.8
72.08155	4.1
79.05486	2.7
81.07059	6.3
83.04979	0.4
83.08626	1.1
84.08131	0.5
86.09708	6.5
91.05482	1.4
93.07063	3.0
95.04973	0.7
95.08609	5.5
97.06548	2.5
97.10178	0.7
98.09695	12.5
98.22676	0.6
98.98478	9.0
99.08107	2.0
102.09193	0.7
105.07015	1.0
107.08594	2.1
109.06490	0.4
109.10165	4.8
110.09704	0.4
111.08043	0.6
113.09639	1.7
113.80741	0.4
115.07585	0.4
117.06960	0.5
119.08592	1.2
121.10129	0.8
123.04441	0.5
124.11247	0.6
125.09625	1.2
131.08566	1.0
133.10158	1.1
135.11726	1.0
137.09686	0.6
142.12268	5.5
145.10071	0.5
146.11768	2.6
147.11729	1.1
149.13261	0.4
155.10667	0.5
157.13339	2.3
159.11685	1.1
161.13306	0.5
173.11746	0.9
173.13266	0.5
174.99184	0.7
175.14810	0.6
176.98952	0.6
177.12767	0.4
185.12849	0.9
237.97235	0.4
249.18523	0.5
267.19458	0.4
294.24197	0.8
312.25275	6.7
330.26389	100.0
331.26721	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.1
56.05034	1.5
57.03454	3.4
57.07072	4.3
58.06597	3.1
67.05508	17.3
69.03413	2.2
69.07073	7.3
69.40876	3.9
69.41277	2.7
69.74971	1.2
71.04988	2.3
71.08637	6.5
71.59392	1.2
74.06082	7.4
79.05495	13.0
80.94857	2.6
81.07058	19.8
83.04991	4.5
83.08624	6.8
84.04508	1.7
85.06548	2.2
85.10180	1.9
87.04459	6.9
88.07637	5.1
90.97723	1.9
91.05474	7.3
93.07046	14.3
95.04985	5.0
95.08621	11.2
97.06540	4.3
97.10188	4.2
98.98473	100.0
99.08098	4.5
100.11251	1.6
101.06036	2.6
104.74678	1.6
104.99281	8.6
105.07058	4.9
107.08598	7.0
109.10184	4.9
111.08054	1.7
116.98675	1.5
116.99496	2.9
117.07035	2.1
119.08556	3.4
120.06599	6.0
121.10162	4.1
123.11750	3.2
125.09650	2.7
130.05061	3.5
130.08711	1.9
131.08583	3.7
133.10139	5.0
135.11720	6.3
139.11183	9.8
140.01157	2.9
145.10136	1.9
147.11734	3.1
149.13312	6.1
151.11206	3.8
159.11731	4.3
161.13243	2.6
163.11237	2.2
165.12613	1.5
174.99251	5.5
175.11101	1.7
176.98930	7.2
177.12762	4.0
179.14345	1.8
189.11143	2.1
193.12218	1.7
195.13826	13.5
231.20982	1.9
252.99841	1.8
261.21844	1.4
270.28030	2.5
277.21609	16.0
295.22733	5.6
310.63797	1.7
312.28622	2.5
330.30029	29.8
330.33694	8.8
331.30566	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78848	0.8
55.05507	1.8
56.05024	1.7
57.07061	0.9
58.06578	3.7
59.45905	0.9
59.61073	0.9
66.90178	0.8
67.05489	1.0
69.07061	1.9
70.06549	1.1
71.05384	1.1
72.08135	1.4
73.02895	1.0
81.07037	1.5
84.08117	2.4
87.04450	1.2
87.59644	0.8
91.05482	9.3
93.07001	1.2
96.08083	2.2
98.98466	77.8
100.98843	1.6
104.99220	4.0
105.06945	1.0
107.08521	1.0
108.08082	2.3
110.09611	2.6
111.82699	0.9
116.98604	1.1
116.99519	1.8
117.06996	1.0
144.10138	2.5
165.75427	0.9
174.99254	4.1
176.98904	6.1
205.16914	0.8
248.96463	0.9
252.99518	0.9
262.98154	1.4
272.23584	3.7
294.27710	1.8
295.22461	1.1
312.26193	7.7
330.27707	100.0
331.18713	1.3
331.28027	6.4
340.25992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3003
Annotation	Palmitoyl Serinol
Peak:m/z	Relative Intensity
55.05507	1.8
56.05032	1.7
57.03430	0.6
57.07070	2.1
58.06599	8.3
67.05497	1.2
67.42271	0.3
68.94971	0.3
69.03429	0.3
69.07064	1.8
69.95229	1.0
70.06586	3.9
71.04991	0.5
71.08619	1.3
72.08167	1.9
79.05489	0.4
81.07066	1.4
82.06566	0.8
83.05013	0.3
83.08599	1.1
84.08132	1.3
85.10165	0.4
87.04436	0.5
88.07134	0.6
88.07629	6.6
91.05456	0.4
93.07024	0.3
95.08598	1.6
96.08128	1.8
97.06541	0.5
97.10155	0.5
98.06036	0.6
98.09684	0.4
98.98464	7.2
100.07626	0.9
101.46759	0.3
104.99258	0.4
106.31826	0.3
108.08132	0.6
109.10149	0.5
112.07582	0.3
121.08883	0.4
122.09622	0.4
123.18046	0.3
126.09151	0.4
130.08647	0.8
174.99289	0.3
176.98889	0.8
185.26202	0.3
210.22165	1.0
212.23720	1.4
226.25371	0.8
242.24820	0.8
252.26765	1.4
254.24797	1.0
259.48596	0.3
264.26813	0.8
266.24847	0.3
266.28442	1.8
276.26810	2.1
278.24747	0.3
281.24496	0.4
294.27893	7.3
295.28287	0.8
312.28949	17.1
313.29306	1.1
330.30026	100.0
331.30347	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	330.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.05027	1.0
56.08080	0.3
57.03454	0.4
57.07064	0.5
58.06600	15.0
63.18442	0.3
67.05521	1.9
69.07072	1.2
69.68029	1.3
70.06599	1.0
71.88896	0.4
72.08147	1.2
79.05450	0.5
81.07049	1.2
82.06586	0.8
83.08627	0.9
84.08145	4.1
86.06080	0.7
91.05475	0.5
93.07019	0.7
95.08588	1.4
96.08120	1.6
97.10184	0.6
98.09687	1.1
98.22775	0.6
98.98466	37.8
100.07635	0.6
100.98891	0.8
104.99290	2.0
108.08121	4.3
110.09683	0.8
112.07596	0.5
116.99503	0.5
121.10095	0.4
124.11216	0.4
126.09138	6.8
128.10732	1.3
140.01099	0.4
144.10191	26.0
145.10513	1.0
174.97868	0.4
174.99182	2.0
176.98853	3.0
177.99161	0.4
196.57584	0.4
210.22142	1.2
248.00746	0.4
252.99742	0.5
254.24825	0.5
262.98193	0.5
276.26804	1.1
294.27826	3.6
303.95374	0.4
312.28976	13.1
313.29245	1.2
330.30017	100.0
331.30383	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3002
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
55.05511	7.9
56.05039	1.5
57.03430	4.0
57.07071	4.9
58.06339	1.4
58.06601	17.5
60.04522	1.1
60.09475	1.1
67.05511	8.7
69.07079	7.6
70.03696	1.9
70.04051	1.9
70.06586	3.3
71.04984	2.7
71.08627	2.9
72.08157	8.0
72.74381	0.9
79.05483	3.2
81.07049	10.1
82.06615	1.0
83.04984	2.7
83.08624	6.9
84.08137	22.2
84.08597	1.8
85.06538	2.8
85.10168	2.1
85.28700	1.0
88.07628	3.9
91.05466	3.9
93.07049	6.4
95.04977	1.3
95.08607	11.3
97.06514	2.7
97.10189	1.7
98.06028	1.0
98.09679	3.7
98.98469	100.0
99.08069	1.7
104.99265	1.6
105.07039	2.7
107.08601	1.9
109.06487	2.3
109.10143	4.5
110.09659	4.2
111.08046	2.0
116.99525	2.1
119.08572	2.1
121.10143	2.5
126.09190	1.3
128.10704	10.8
131.08510	1.4
133.10190	1.4
142.12250	1.8
144.10136	2.0
145.10126	3.4
159.11728	2.9
174.99181	4.9
176.98898	6.9
207.17633	1.0
223.20532	1.1
254.94875	1.0
259.77151	1.2
263.23676	1.3
294.27994	4.5
312.25555	1.3
312.28934	17.0
313.29330	1.6
330.24448	5.0
330.30042	93.9
331.18774	6.2
331.22635	1.7
331.30307	6.8
336.21860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3004
Annotation	Palmitoyl Serinol
Peak:m/z	Relative Intensity
55.05515	2.1
56.05023	1.2
56.81952	0.2
57.03448	1.5
57.78036	0.2
58.06604	2.9
63.51097	0.2
67.05505	3.6
67.99487	0.2
69.07070	1.3
70.06594	1.9
71.05016	0.3
71.07383	0.3
72.08152	1.2
79.05495	1.1
81.07057	4.7
82.37675	0.3
83.08611	1.0
84.07669	0.4
84.08144	6.7
85.06527	0.5
85.10247	0.3
87.75480	0.2
88.07628	0.7
91.05466	0.3
93.07047	0.9
95.08612	3.8
98.09713	0.7
98.22645	0.6
98.98467	9.0
100.98862	0.2
107.08602	0.6
109.10147	1.0
112.11245	1.1
121.10134	0.4
123.11697	0.3
135.11702	0.4
162.96082	0.2
174.99258	0.4
176.98875	0.7
221.15044	0.3
222.37546	0.3
241.41498	0.2
266.24765	0.3
294.27948	1.8
312.28949	20.9
313.29193	1.6
330.30014	100.0
331.30338	7.1
331.34280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3369
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
52.75453	0.2
55.05514	4.5
56.05039	0.6
57.03180	0.4
57.03443	4.9
57.07081	2.6
58.06604	4.4
67.05510	5.0
69.06708	0.5
69.07069	5.7
69.63758	1.2
70.06593	1.9
71.07381	0.4
71.08638	1.5
72.08159	19.2
75.01940	0.3
75.22414	0.3
79.05489	0.9
81.07063	7.3
81.98843	0.3
83.08627	3.3
84.08149	2.7
85.06561	1.3
85.08932	1.9
85.10181	0.9
86.09702	1.1
86.49221	0.2
87.04475	0.3
91.05482	0.8
93.07018	0.4
95.08613	6.9
96.08140	0.4
97.10178	2.7
98.09701	5.8
98.23473	0.5
98.98472	15.1
99.08099	0.3
100.98884	0.3
102.09198	1.0
104.99195	0.4
108.47462	0.3
109.10162	3.6
110.09688	0.7
111.11723	0.5
112.11250	1.0
117.07012	0.3
123.11731	0.9
124.11308	0.3
129.09122	0.5
137.13309	0.4
147.36766	0.3
174.99232	1.0
176.98961	1.2
294.31567	10.0
295.31876	0.4
312.32593	33.1
313.32898	2.0
330.33664	100.0
331.28094	0.3
331.34039	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26975	0.4
55.05514	3.3
56.05020	1.6
56.96557	1.0
60.05640	1.4
67.05490	0.7
69.03414	0.4
69.07059	1.0
69.61968	1.6
70.06593	9.1
72.08157	22.7
74.06075	1.0
76.11932	0.4
79.05501	0.6
82.06593	0.6
83.06109	0.7
84.04505	5.6
84.08144	86.1
85.02894	0.9
85.06562	0.5
85.08484	1.5
86.09706	21.4
87.10050	0.7
88.03986	1.0
97.02850	0.4
98.22704	0.4
98.98470	56.5
100.98901	1.5
101.07124	1.2
101.10755	2.1
102.05561	0.7
102.09187	1.0
104.07115	0.7
106.06561	0.7
107.04989	0.7
108.08125	8.3
110.06046	0.8
111.09201	0.8
112.07592	0.9
112.08736	1.3
115.08712	1.2
116.07114	0.8
116.98660	0.8
116.99465	0.6
117.10193	0.4
124.07626	1.6
126.05551	0.6
127.08649	0.7
129.10242	100.0
130.05002	6.5
130.08649	3.1
130.09523	0.4
130.10605	1.4
132.10231	0.7
134.06033	0.8
136.06163	1.9
136.07574	2.0
141.06555	0.4
143.08243	0.5
143.11844	0.9
144.06624	0.6
144.10187	0.4
147.07661	8.2
147.08806	0.6
147.11305	3.5
152.07066	8.0
152.08205	0.7
155.11853	0.6
157.00630	0.4
157.13344	6.0
158.09200	0.4
161.12921	0.4
170.08170	1.0
171.11302	0.8
172.94402	1.3
174.99220	3.3
175.11943	1.7
176.98981	4.9
177.00945	0.9
183.14911	3.0
185.12885	1.9
189.12393	1.4
190.95396	0.9
197.16617	0.9
199.14375	0.4
200.14049	1.8
201.01024	0.5
203.02644	0.7
203.14030	0.6
208.96289	0.6
211.14278	0.4
215.13995	2.1
216.96951	0.5
217.04192	0.5
219.01933	3.1
220.02170	1.0
221.01845	0.6
223.40633	0.4
228.17072	9.6
232.16548	6.4
233.03687	1.4
233.16966	0.4
242.15051	0.7
242.18768	0.6
245.90981	0.4
246.94566	0.6
252.99861	0.7
254.99797	0.4
260.19727	0.8
271.11636	0.6
273.17911	2.2
273.68158	0.8
288.95441	0.7
289.02457	1.0
296.19971	0.5
306.96661	1.2
307.03702	0.8
308.03931	0.5
314.12308	3.3
314.21057	0.9
330.69339	2.2
331.07657	0.9
331.14206	0.6
331.23608	18.0
332.13675	4.7
332.23834	1.2
349.04828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69278	0.3
55.05497	1.0
56.05030	2.2
56.96562	1.2
57.03436	0.4
60.05635	1.3
64.11612	0.3
67.05483	1.1
69.03439	1.8
69.07062	1.1
70.06594	6.9
71.04958	0.4
72.08157	10.4
79.05529	0.4
82.06557	0.7
84.04499	4.1
84.08144	100.0
85.02902	1.4
85.06557	0.7
85.08471	1.8
86.09708	25.5
87.04436	0.4
87.10025	0.5
96.08171	0.6
97.02882	0.7
98.09714	0.4
98.97657	1.8
98.98470	50.9
100.98894	1.2
101.07161	0.6
101.10778	4.9
106.06551	0.6
107.04992	0.5
108.08123	15.7
109.31480	0.4
110.07178	0.5
111.09223	1.2
112.07631	0.7
112.08733	1.3
114.09142	0.4
115.08708	0.8
116.07081	0.8
116.98635	1.5
116.99447	0.6
119.02002	0.5
123.06857	0.5
124.07603	2.2
127.03841	0.4
127.08771	0.5
128.98625	0.4
129.10242	77.6
130.04996	3.4
130.08655	4.3
130.09622	0.6
130.10638	1.5
131.01912	0.4
132.10194	0.9
134.06053	1.5
136.06216	9.4
136.07602	2.1
137.06615	6.4
139.08591	0.4
143.11823	1.0
144.10233	1.2
147.07664	5.1
147.11308	4.7
150.05548	0.5
152.07074	11.7
152.14369	0.9
155.11827	1.2
157.13364	4.4
161.12920	1.0
168.84973	0.4
170.08139	1.2
171.09845	0.5
171.13728	0.4
171.14951	2.2
172.08202	0.7
172.94386	1.2
173.08401	1.2
174.97882	0.7
174.99289	2.8
175.09975	0.7
175.11949	1.2
176.99005	4.1
177.00945	1.0
183.11357	0.9
183.14977	0.4
185.12970	1.2
187.00818	0.4
190.95331	0.8
197.16478	3.7
199.14508	1.2
200.10333	0.4
200.13924	6.5
201.00964	0.8
203.02498	0.5
203.13861	1.7
205.11140	0.8
209.10454	0.4
211.15567	0.4
216.96922	0.6
216.98766	0.9
217.98949	1.2
218.15068	1.3
218.98586	0.8
219.02007	4.1
220.02092	0.6
221.01727	0.6
223.12184	1.2
224.17694	1.6
225.16074	1.0
233.11261	0.4
234.99948	0.7
236.00021	1.3
236.99704	0.7
242.18616	3.4
243.02119	0.5
243.16925	0.5
249.01295	0.4
252.99808	1.0
260.19720	2.3
261.03140	0.5
268.53998	0.4
270.08289	0.5
271.08441	2.2
272.10016	0.8
288.95633	1.0
289.02649	0.8
289.09592	1.2
290.10992	0.5
295.15585	0.4
296.19937	0.6
299.08051	0.8
306.96683	1.2
307.03561	0.5
308.25696	0.4
313.22415	0.5
314.06540	0.5
314.09344	1.0
314.12543	6.4
314.20886	1.3
316.62723	0.4
317.09210	0.7
331.06876	4.9
331.10568	1.2
331.23602	28.8
332.07031	0.7
332.10526	0.6
332.13510	10.4
332.24075	1.7
349.08594	1.4
350.07642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
54.04253	1.2
55.05513	15.0
57.03437	5.8
57.07079	100.0
58.07415	1.8
58.14202	1.2
67.05511	29.2
69.07072	18.6
70.06590	4.0
71.08634	68.2
72.08978	2.1
75.04471	3.8
79.05509	2.8
81.07063	34.9
83.08619	24.6
85.10185	36.5
88.07629	4.2
89.06032	2.0
91.05443	2.0
93.07033	1.2
95.08609	57.6
96.08926	1.6
97.10167	12.9
98.98473	38.5
99.11742	2.6
104.99287	3.4
106.08685	2.3
109.10161	27.5
111.11732	4.9
113.13305	1.5
123.11704	12.3
125.13280	3.0
137.13280	6.3
139.14807	1.1
140.01132	1.4
142.09923	1.2
143.86215	1.1
149.51198	1.2
151.14807	1.7
165.16409	2.1
174.99217	1.9
176.98933	4.8
220.13722	1.0
221.22594	2.5
239.23709	21.1
257.24847	6.3
313.27396	63.4
314.27557	4.2
331.09747	1.3
331.33981	40.0
332.29654	1.2
332.34372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03942	0.5
57.03439	1.8
61.02927	1.6
62.72959	0.5
65.03944	0.8
67.05497	2.7
69.03429	4.8
70.06583	2.2
73.02917	1.9
73.86071	0.5
79.05502	0.7
81.03422	1.6
81.07052	0.7
84.08108	0.7
85.02911	6.0
86.09688	0.9
87.04453	1.6
88.81267	0.6
91.03956	0.6
92.05013	0.5
93.05785	0.7
97.02901	3.9
98.97599	1.2
98.98466	3.0
99.04467	0.7
106.06542	5.3
108.08114	100.0
109.02881	0.8
109.08456	2.0
115.50819	0.5
121.41997	0.5
123.05559	3.6
123.06808	4.5
124.07593	13.6
127.03904	1.7
129.10211	0.8
134.05048	0.9
134.06017	10.8
136.06201	5.5
136.07576	14.6
137.08391	0.5
145.04988	0.8
152.07060	69.1
153.07385	1.7
154.08636	1.6
170.08133	9.9
177.00935	1.5
200.77789	0.6
203.02498	1.0
218.98546	0.6
219.01921	4.6
236.99449	0.8
314.12326	36.7
315.12576	1.4
331.98239	0.9
332.04999	3.9
332.13385	63.7
333.13864	2.6
350.06458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70651	0.4
53.03941	0.8
56.96574	0.7
57.03432	1.1
61.02920	1.4
64.35369	0.6
65.03970	0.5
67.05505	2.5
69.03436	5.9
70.06568	1.2
72.08160	4.1
73.02900	1.5
78.18094	0.5
79.05485	1.4
81.03414	2.3
81.07069	1.2
82.06507	0.5
82.14573	0.5
84.08134	2.5
85.02901	6.8
86.09709	2.5
87.04469	1.9
91.03983	0.6
96.08121	1.2
96.70170	0.6
97.02908	3.3
98.97636	1.5
98.98464	28.8
100.98910	1.0
106.06553	4.5
107.04938	1.1
108.08117	100.0
109.02883	1.2
109.08441	1.7
116.98636	1.3
116.99466	0.8
123.05543	4.7
123.06809	3.7
124.07589	15.0
127.03934	0.9
129.10243	2.2
133.06104	0.8
134.06007	11.2
134.99603	0.6
136.06200	6.4
136.07578	14.0
143.32701	0.6
145.03453	0.9
152.07065	69.0
153.07414	2.0
154.08705	1.4
154.59813	0.6
163.04523	0.7
170.08134	9.6
171.14963	1.6
174.97728	1.1
176.98930	2.3
177.00940	0.6
177.99330	0.6
192.98714	0.8
199.14507	0.8
203.00742	0.7
208.81468	0.5
219.02013	0.7
227.03996	0.7
239.26317	0.6
314.12329	38.2
315.12482	1.2
332.13394	65.2
333.13712	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	332.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37617	1.0
53.03944	2.8
55.01856	1.2
55.05504	5.4
56.05030	5.8
56.96566	1.7
57.03428	3.6
58.06596	3.9
61.02916	3.8
65.03950	1.1
67.05497	4.0
68.05012	1.4
69.03426	7.6
69.07065	3.9
70.06595	8.7
70.58947	1.8
70.59292	0.9
71.04993	2.2
72.08156	31.8
73.02907	1.9
77.93060	0.9
79.05494	24.2
81.03408	4.4
81.07060	60.2
81.59958	0.8
82.06570	2.8
82.54674	1.0
84.04507	31.8
84.08145	28.9
85.02909	16.9
85.08482	2.1
86.09708	100.0
87.10027	2.1
88.04024	1.2
90.05548	1.5
91.03958	1.3
91.05506	2.6
93.07041	3.0
95.01347	1.0
95.04963	2.3
95.08615	1.0
96.08133	9.5
97.02899	4.7
97.06533	15.2
98.09681	3.4
98.98470	52.1
99.04470	1.6
100.98880	1.7
102.05544	34.5
104.07108	11.9
105.07068	1.5
106.06565	1.9
107.04955	4.2
107.08554	1.2
108.08118	4.6
109.06535	14.9
110.06036	3.1
110.09653	1.9
111.04468	2.0
116.98615	1.8
120.08090	2.1
123.04401	1.1
124.06763	1.8
124.07599	21.0
125.05999	11.7
127.03934	2.0
127.08655	1.7
128.07065	2.4
128.10713	3.4
129.10252	11.0
130.04997	2.0
130.08659	1.1
130.10599	1.7
132.09271	1.9
132.10205	22.1
134.06042	2.1
135.04424	3.1
136.06203	1.9
136.07639	1.2
137.05998	0.9
138.09087	2.7
140.07069	1.4
142.08611	2.4
143.11853	1.6
144.06561	1.0
145.04979	2.9
147.07652	1.5
152.07071	60.5
153.04216	1.9
153.05473	34.1
153.07388	2.5
155.08148	11.9
156.10229	2.1
157.13379	1.9
162.07664	1.4
170.08134	85.7
171.08469	1.2
173.09235	20.0
176.98940	4.1
183.07666	3.9
183.11281	7.5
185.16476	2.4
187.10793	5.3
188.03842	1.0
189.04382	1.1
199.18036	5.4
201.08723	20.5
201.12355	9.7
203.13914	12.6
215.10260	2.9
215.13889	1.3
219.61674	1.1
227.17554	4.1
229.11990	1.8
234.22098	1.4
236.19949	1.2
243.13426	7.8
254.21169	1.8
261.14297	1.2
264.06348	1.0
290.94638	2.4
296.19150	1.2
296.22183	5.8
313.21823	1.2
314.12204	1.1
314.19748	2.9
314.23141	14.5
331.23285	2.8
332.09912	3.4
332.13416	3.7
332.20984	4.8
332.24298	83.3
333.15314	2.1
333.24692	1.3
350.10068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	12.8
60.04527	19.4
60.44408	1.8
69.07053	6.8
80.43652	1.8
81.06453	2.2
81.07009	2.3
84.08157	3.8
86.09702	64.1
87.05578	10.0
91.05479	2.3
94.62560	2.1
95.08616	3.5
98.98463	100.0
100.98891	3.5
107.04944	2.6
108.08102	3.2
111.04427	3.5
126.09152	5.6
128.10732	7.5
132.10188	3.5
135.28979	2.3
144.10184	21.7
153.05482	2.6
168.69194	2.1
169.08372	2.2
173.12857	67.2
174.13182	2.4
176.98933	6.3
201.12329	20.0
215.03377	9.1
219.13467	2.8
233.04453	3.5
254.99307	2.7
276.84296	2.2
314.23166	7.7
314.26401	2.0
332.06348	2.3
332.13910	22.3
332.24295	87.1
332.27756	6.7
333.07571	28.9
333.24591	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	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39167	1.6
56.36243	1.5
58.06589	2.8
60.04528	14.0
69.29485	9.4
70.06596	1.8
72.04524	1.6
72.08142	1.6
86.09708	67.9
87.05581	10.6
87.10048	1.7
96.08158	1.8
98.06050	2.2
98.98464	75.4
100.98881	3.0
116.07076	3.6
128.10715	9.6
132.10168	6.1
144.10164	4.0
146.81332	1.6
173.12851	100.0
174.13217	2.8
176.98907	8.5
177.99210	2.0
201.12343	32.0
210.18521	1.9
245.18658	1.8
278.21146	1.7
283.47351	1.8
296.22174	6.2
314.23285	8.0
332.24326	34.4
332.27927	2.3
333.24673	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	332.2181
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
54.82540	0.3
56.05035	0.5
57.03439	0.8
57.05807	0.5
58.06589	1.3
58.52768	0.4
60.04523	0.5
60.73989	0.4
67.05508	1.5
69.03416	0.4
69.07071	5.8
70.02957	0.6
70.06593	1.5
71.04993	0.6
71.06936	0.4
72.08154	2.6
78.21272	0.3
79.05501	1.0
79.48634	0.4
81.07063	1.3
84.04517	1.2
84.08145	4.2
85.02910	0.9
85.08489	0.4
86.09706	100.0
87.10029	2.0
91.05473	1.0
93.07047	1.3
94.27026	0.3
95.04980	0.4
95.08588	1.0
96.08157	0.6
97.06483	0.4
98.09717	0.7
98.98473	9.6
102.05530	0.5
105.07025	0.7
106.05034	0.8
107.08607	0.4
108.08125	1.0
109.10129	0.5
110.09699	0.7
116.03387	0.4
117.07006	0.5
119.08543	0.5
127.03929	0.5
128.10699	1.7
129.10223	0.9
132.10191	0.5
135.04399	0.4
135.08011	0.4
152.07083	0.7
152.10756	1.9
153.05527	0.4
153.09120	0.5
154.32271	0.4
156.10190	0.7
157.13342	0.4
170.08014	0.4
170.11761	7.8
173.09181	0.9
176.98903	1.0
187.10902	0.5
188.06972	0.5
199.18056	29.8
200.18379	1.1
201.08781	0.5
201.12381	1.5
219.13408	4.9
227.17538	16.1
228.17813	0.7
229.11757	0.4
234.22267	0.5
236.20134	0.8
246.61423	0.4
254.21118	1.4
296.22159	1.3
314.20261	1.8
314.23273	5.1
315.14655	0.8
332.20804	2.8
332.24310	33.4
333.15042	1.3
333.18613	0.5
333.24774	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	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66942	0.3
55.05505	0.5
56.05033	0.6
57.03439	0.5
57.88333	0.3
58.06593	1.3
60.04519	0.6
67.05499	0.6
69.03424	0.4
69.07062	1.0
70.03718	0.3
70.06597	2.8
72.08162	2.8
79.05484	0.9
81.03427	0.4
81.07052	0.7
84.04507	2.0
84.08155	2.0
85.02901	1.2
85.06551	0.3
86.09708	100.0
87.10017	2.0
88.03996	0.8
90.05564	1.0
93.07056	0.4
95.04983	0.4
96.08136	0.3
97.02856	0.3
97.06530	0.6
98.09680	0.4
98.98472	9.5
100.98905	0.4
102.05554	1.7
102.43891	0.3
106.05022	0.4
108.08136	0.4
110.09689	1.2
112.11248	0.8
116.07110	0.6
127.71008	0.3
128.10722	2.9
129.10216	0.7
133.10129	0.3
135.04428	2.6
144.10190	0.6
148.06062	2.4
152.10727	0.6
153.05502	1.0
157.13365	7.2
157.14583	0.5
169.12244	0.4
170.11725	2.5
176.98961	0.7
185.12874	3.1
185.16515	0.8
197.13022	0.6
199.18059	27.5
200.18393	0.9
201.12386	2.0
213.15959	0.4
215.13942	1.0
219.13411	3.4
227.17552	11.8
228.17874	0.5
229.11906	0.7
254.21214	0.6
261.14438	0.6
272.22296	0.5
314.20392	1.3
314.23169	1.7
332.20996	0.9
332.24283	17.1
333.15121	2.3
333.24503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2432
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
50.79382	0.2
52.42071	0.2
55.05497	0.9
56.05032	1.5
57.03443	0.3
58.06598	8.7
60.04515	0.9
62.88449	0.2
67.05506	1.3
68.05024	0.2
69.03421	0.4
69.07063	1.3
70.06583	0.7
71.04973	0.2
71.07351	0.3
72.08155	2.2
79.05499	0.7
79.38579	0.2
81.07048	1.3
82.06576	0.8
83.08607	0.6
84.08138	2.4
85.02888	0.4
86.06041	0.3
86.09702	3.3
87.05602	0.4
88.07607	0.3
91.05476	0.3
93.07066	1.0
94.06549	0.7
95.05002	0.4
95.08599	1.0
96.08112	3.3
97.06529	0.3
97.10191	0.2
98.06064	0.6
98.09673	0.7
98.97822	0.5
98.98463	8.7
100.07614	0.4
100.98849	0.3
105.07032	0.5
107.08601	0.5
108.08118	3.3
109.10186	0.4
110.05994	0.2
110.09657	1.1
116.07130	0.3
119.08564	0.3
119.74503	0.2
121.08878	0.7
121.10159	0.4
122.09663	1.3
124.07619	0.3
124.11192	0.3
126.09158	3.4
128.10742	0.7
132.10207	0.3
135.11722	0.3
138.09079	0.3
144.10188	12.5
145.10324	0.2
150.63022	0.2
152.14310	0.5
153.05466	0.3
160.13550	0.2
173.12872	3.4
176.98918	0.9
201.12398	1.4
207.13779	0.3
210.18512	1.9
212.16466	0.6
228.19612	0.6
234.18611	0.4
238.18037	1.5
240.13393	0.2
240.19617	0.2
248.20065	0.3
250.21645	0.9
252.19585	0.3
254.21170	0.8
260.20023	0.3
266.21204	1.3
268.22720	1.4
270.20544	0.2
278.21133	6.7
279.21625	0.3
296.22186	16.7
297.22556	1.1
314.23233	23.2
315.23654	1.5
332.24277	100.0
333.20609	0.4
333.24612	5.3
333.28467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.05024	0.9
57.03435	0.7
58.06598	12.7
58.13044	0.4
58.34794	0.3
64.32538	0.4
67.05499	1.6
69.03434	0.3
70.06590	0.6
71.45750	0.4
72.08150	2.0
81.03423	0.4
81.07059	1.0
82.06562	0.6
83.08641	0.4
84.08137	3.7
84.94350	0.4
86.09692	0.7
91.05503	0.6
95.08611	0.6
96.08138	1.3
98.09685	0.9
98.98463	19.9
100.07585	0.5
100.98884	0.9
108.08128	4.6
109.04068	0.4
109.06459	0.4
109.10105	0.6
110.09673	1.6
116.98617	0.5
116.99483	0.7
122.09658	0.7
126.09142	6.8
128.10715	0.7
130.08702	0.5
144.10191	27.3
145.10510	0.7
151.22020	0.4
176.98927	1.6
177.99240	0.4
210.18541	0.4
212.16461	0.4
215.03387	0.7
250.21849	0.4
268.22629	0.4
278.21127	1.4
291.95102	0.4
296.22217	3.5
314.23257	10.3
332.24289	100.0
333.07535	3.1
333.24603	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	332.2431
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
55.05510	0.3
56.05033	1.5
57.03428	0.8
58.06597	18.8
58.96859	0.2
60.51802	0.2
64.23697	0.2
65.03931	0.2
65.74791	0.2
67.05497	1.4
69.07053	0.4
70.06577	1.0
70.19259	0.3
70.19588	0.4
71.04971	0.4
71.46737	0.3
72.08147	3.4
73.05300	0.3
74.97611	0.2
79.05491	1.2
81.07050	1.9
81.71550	0.3
82.06589	0.3
83.08590	0.4
84.08126	0.4
86.06096	0.3
86.09682	0.4
88.07637	0.5
91.05469	0.5
93.07049	1.7
95.08584	1.4
96.08091	0.5
96.36603	0.2
97.06528	0.4
98.09666	0.3
98.98460	13.4
100.07603	0.5
100.98885	0.8
105.07011	0.5
107.04955	0.3
107.08592	0.6
108.08074	0.5
109.10223	0.3
110.09666	0.3
116.98649	0.3
116.99454	0.4
119.08571	0.7
119.73775	0.2
121.10112	0.5
123.08044	0.3
128.10661	0.3
133.10130	0.4
135.07996	0.3
145.10042	0.4
147.11655	0.4
169.56035	0.2
170.15392	0.2
176.98894	1.0
210.18472	0.5
230.17525	0.5
234.22139	0.9
236.20131	2.4
237.20500	0.3
252.23074	0.5
254.21156	2.8
270.21130	0.4
270.24231	5.5
272.22189	9.2
273.22473	0.3
296.22186	2.6
304.26135	0.3
308.92395	0.3
314.23270	3.7
332.24277	100.0
333.24612	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	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68769	0.2
55.05510	0.3
56.05041	1.1
57.03431	0.8
57.73380	0.2
58.06600	23.7
59.06934	0.2
67.05506	1.6
69.03422	0.5
69.07049	0.6
70.06584	1.1
71.04974	0.2
71.76758	0.2
72.08154	2.7
73.05266	0.2
74.06065	0.3
79.05498	1.9
81.07053	2.4
82.06624	0.3
83.08624	0.3
84.08134	1.5
85.06534	0.5
86.09671	0.4
87.06831	0.3
88.07616	0.4
91.05484	1.1
93.07040	1.3
95.04971	0.3
95.08611	1.2
96.08119	0.4
97.06504	0.5
98.09678	0.3
98.98472	2.2
100.07617	0.6
105.07026	0.7
107.08591	0.7
108.08111	1.5
109.06504	0.5
109.10152	0.3
109.71218	0.2
110.09667	0.5
111.08066	0.2
117.06963	0.2
118.08688	0.2
119.08570	0.7
121.10107	0.6
122.09664	0.5
123.08038	0.3
126.09141	1.1
128.10721	0.3
133.10146	0.6
135.11703	1.1
137.09590	0.4
144.10197	4.0
145.10089	0.5
147.11647	0.6
149.09637	0.2
161.13205	0.2
163.11176	0.6
173.12875	0.6
181.12244	0.7
212.16460	0.6
260.19724	0.2
278.21194	1.6
296.22165	3.0
314.23224	11.1
315.23486	0.4
332.24286	100.0
333.24612	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	332.2585
Annotation	Kisantamine
Peak:m/z	Relative Intensity
55.05497	0.5
56.05033	0.5
57.03434	1.0
58.06615	0.3
65.03925	0.6
67.05511	1.7
69.07069	2.8
69.40199	1.7
70.06569	0.6
71.04978	1.1
72.04506	0.7
72.08160	3.3
79.05492	3.6
81.07061	0.8
83.04993	5.2
84.08161	0.7
85.08923	0.6
86.09698	1.1
89.69460	0.3
91.05482	62.3
92.05817	1.2
93.07037	0.7
95.04964	0.6
95.08600	0.9
97.06533	5.0
98.09693	14.6
98.23466	0.4
98.98463	4.1
99.08101	1.4
105.07036	1.5
107.04936	3.8
110.09679	0.9
115.05466	1.3
117.06993	0.9
124.11233	1.0
128.10725	1.6
129.07011	8.5
131.08554	2.0
137.40860	0.3
139.55788	0.4
142.12274	13.6
157.10127	16.3
158.10486	0.6
175.11182	6.5
229.15810	0.5
269.18982	0.8
271.58633	0.3
287.19714	0.4
314.24576	2.4
332.25827	100.0
333.20120	0.7
333.26160	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	332.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.05016	0.4
59.07759	0.2
60.04525	0.2
60.38616	0.2
67.05495	0.4
68.05023	1.5
69.07070	1.2
69.51431	0.2
70.06593	0.5
71.04987	0.2
72.08155	0.6
74.97596	0.2
79.05492	5.3
80.05007	0.4
81.05795	2.0
81.07056	0.5
84.08138	0.2
88.07679	0.2
91.05476	4.9
93.07039	0.3
94.06561	3.8
95.04971	0.6
95.08608	0.5
96.08128	36.2
97.06536	0.4
97.08471	0.7
98.09688	1.1
98.98466	3.5
102.96494	0.2
103.89403	0.2
105.07044	0.2
107.04951	0.4
108.08127	0.2
110.09692	0.6
114.09164	100.0
115.09500	1.6
119.08609	0.2
124.11253	0.3
128.10718	2.3
128.52155	0.2
129.06970	1.0
131.08588	0.5
142.12286	1.1
157.10139	1.2
175.11212	0.4
176.98924	0.3
269.19046	0.2
314.24762	0.7
332.25815	43.4
333.20407	0.7
333.26160	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	332.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42730	0.2
55.01855	0.3
55.05508	0.8
56.05036	0.2
58.06614	0.3
60.04528	0.5
67.05511	0.6
68.05019	0.7
69.07054	0.9
69.97688	0.3
70.06607	0.4
71.04997	0.3
72.08142	0.3
79.05495	4.4
80.05009	0.6
80.22543	0.3
81.05789	1.3
81.07061	0.9
84.08141	0.4
91.05475	5.1
93.07058	0.4
94.06573	2.4
94.36152	0.2
95.04964	0.7
95.08619	0.5
96.08133	35.7
97.06520	0.8
97.08469	0.9
98.09692	0.8
98.22714	0.6
98.97559	0.3
98.98465	3.6
105.07048	0.6
110.09668	0.4
114.09171	100.0
115.09531	1.3
117.07045	0.5
128.10744	1.1
129.07010	0.7
131.08565	0.5
142.12280	0.7
157.10121	1.1
175.11256	0.4
201.58884	0.3
250.63428	0.2
294.85077	0.2
314.24780	1.1
314.30316	0.3
315.19385	0.6
332.25827	34.1
333.20276	0.4
333.26059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42955	0.5
53.03938	0.9
55.01861	1.1
55.05510	5.1
57.03441	2.6
57.07077	0.9
57.46541	0.5
58.06593	2.0
59.05003	0.6
67.05505	31.7
68.05838	0.8
69.03425	0.7
69.07069	6.9
69.81277	1.1
70.06298	0.5
70.06598	5.6
71.04989	5.1
72.08131	0.6
74.20224	0.5
79.05494	7.6
81.07059	20.9
83.04976	0.9
84.08124	0.7
85.06542	5.9
86.09711	0.9
91.05477	4.4
93.07049	8.3
95.04954	0.9
95.08606	21.0
96.08983	0.6
97.06536	3.0
97.10161	0.7
98.98460	4.5
99.08070	1.0
105.07042	4.5
107.08598	5.4
108.08103	0.6
109.06578	1.2
109.09415	1.1
109.10162	21.0
110.10484	0.9
111.08072	1.6
114.63406	0.5
119.08572	3.1
119.59393	0.5
121.10130	4.6
123.08052	0.5
123.11711	3.3
124.11163	0.7
131.08566	1.1
133.10120	1.7
135.11664	4.2
137.09639	1.0
145.10063	1.3
147.11687	1.2
149.13243	2.2
155.10667	1.1
159.11661	1.0
161.13295	1.0
168.13829	1.0
171.45193	0.4
173.11723	1.4
173.13138	0.8
182.15436	1.0
224.74545	0.5
243.21162	1.2
261.22122	1.9
266.24747	0.8
278.24826	7.2
279.23270	2.0
293.48288	0.5
296.25836	28.0
297.26331	1.4
314.26892	49.8
315.27292	3.3
325.85870	0.5
332.27948	100.0
333.07611	0.6
333.16907	0.9
333.28284	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	332.2947
Annotation	N-Methylfuntumine
Peak:m/z	Relative Intensity
51.61565	0.4
55.05521	2.5
56.05025	1.8
57.03435	2.1
58.06602	3.3
58.63800	0.4
65.03900	0.6
67.05500	1.8
69.07062	1.5
69.94186	1.1
70.06586	1.5
71.07373	0.6
72.08146	1.6
81.07053	2.4
83.08598	1.0
84.08141	7.7
85.39457	0.3
88.07619	0.8
91.05481	17.3
92.05781	0.4
95.08597	2.1
96.08098	0.5
97.10178	0.4
97.76627	0.4
98.09684	0.9
105.07033	1.1
109.10146	0.7
112.11234	1.1
117.07005	1.3
126.76966	0.4
131.08577	1.5
232.20438	0.5
260.23776	0.5
268.48587	0.3
312.45825	0.4
314.28400	21.8
315.28720	1.4
332.29465	100.0
333.29785	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	332.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47316	0.2
55.05518	2.0
56.05028	0.9
57.03428	0.9
58.06338	0.4
58.06601	5.2
65.03929	0.4
67.04721	0.3
67.05500	3.3
69.07060	1.8
69.81809	0.5
70.06590	3.0
71.07372	0.7
72.08160	2.6
77.03902	0.3
79.05489	0.7
81.07059	3.8
81.07510	0.4
82.06562	0.4
84.08142	8.7
85.46586	0.2
88.07617	1.1
91.05479	21.2
92.05789	0.5
95.08601	2.9
96.08136	0.6
97.08908	0.3
97.10177	0.7
98.09677	1.3
98.22751	0.3
98.98428	0.3
105.07055	1.4
105.07652	0.2
109.10155	1.5
110.09690	0.3
112.11236	6.4
114.09169	0.2
117.07026	1.5
131.08571	2.0
145.10063	0.3
159.41789	0.3
199.11653	0.2
204.00587	0.2
232.20595	0.3
246.22214	0.5
282.20413	0.3
286.25244	0.7
314.28397	23.5
315.28641	1.9
332.29446	100.0
333.29788	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	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
56.05044	9.9
56.96557	2.1
57.03436	2.3
57.06818	0.9
57.07075	8.3
58.06337	0.8
58.06603	7.4
60.04512	3.0
67.05514	7.1
68.05022	1.2
69.07076	1.8
69.63419	2.4
71.08629	5.3
71.33173	0.8
74.06081	9.8
75.98260	0.7
77.13885	0.7
79.05509	4.4
81.07067	5.0
85.10209	2.1
86.06071	1.8
88.07632	37.4
91.05489	4.1
93.07043	4.8
95.04939	0.8
95.08598	3.3
98.98470	7.8
104.07034	0.8
105.07017	3.6
107.08624	1.1
109.10177	1.7
116.98627	0.7
118.08660	7.0
119.08569	2.1
121.10134	1.9
122.08124	7.0
128.98618	0.9
129.05467	1.6
131.08513	0.9
133.10126	1.4
147.11671	1.8
149.05952	0.9
176.98868	1.0
207.53485	0.8
241.19496	0.8
284.29468	32.4
285.29724	1.1
293.76767	1.0
314.28003	1.1
315.16406	3.2
332.21976	2.2
332.31592	100.0
333.17184	7.0
333.20505	1.6
333.23956	6.7
333.32028	6.2
334.14224	0.7
351.18567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86642	0.7
69.86994	0.5
70.06580	0.4
72.08154	0.6
86.09695	1.1
98.97900	0.3
98.98437	1.6
118.07381	0.4
136.08400	0.5
171.09920	2.2
241.91742	0.3
315.41199	0.4
333.15192	100.0
334.15488	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	333.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60797	1.1
56.05025	4.8
59.75624	1.0
60.05640	2.5
70.06608	1.8
71.45119	1.4
71.92896	1.0
75.89179	0.9
80.16962	1.2
83.04979	1.8
83.06091	3.7
95.06074	2.6
97.07682	1.4
98.98466	36.5
100.98881	2.7
105.05721	1.4
111.04434	3.7
111.05561	7.2
113.07129	4.0
116.98657	1.2
120.04462	3.5
126.06651	5.8
132.04453	14.0
134.06012	4.3
137.04596	1.3
140.08179	2.1
148.23344	1.0
151.06149	7.0
153.05467	1.8
162.05527	1.7
164.07033	8.2
176.98964	6.3
179.08215	1.4
202.09737	4.8
203.08247	1.7
217.09705	5.0
230.09253	6.0
232.10861	2.4
242.09210	2.5
245.09229	26.7
247.10741	1.7
248.14040	2.1
257.10388	5.1
259.11914	45.3
260.12454	1.9
274.11935	1.3
284.11472	5.3
291.14499	83.7
292.14783	4.5
301.14252	1.6
302.12466	55.3
303.12772	3.9
316.13940	3.3
333.16699	100.0
333.21118	7.2
334.17038	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01870	8.3
55.05507	16.2
55.14047	3.8
56.05036	9.2
57.03439	51.0
57.06816	7.0
57.07083	75.9
61.01129	3.8
61.02929	11.6
67.05519	23.7
69.03429	28.3
69.07059	24.6
70.06593	14.5
70.75998	6.9
72.08164	15.0
79.05469	9.1
81.03424	12.4
81.07063	57.8
83.04996	22.9
83.08619	9.8
84.08128	7.8
85.02907	100.0
85.06545	26.8
86.09701	15.5
91.03945	7.7
91.05477	13.0
93.07059	9.2
95.05010	6.2
95.08633	14.5
97.02906	31.4
97.06526	12.4
98.98473	35.6
99.04459	6.5
99.08092	60.8
99.12585	5.2
103.03942	6.5
104.05332	10.1
105.07045	5.5
107.08575	12.1
109.02873	9.2
109.06509	13.6
109.10159	54.0
111.04408	4.2
111.08083	14.7
116.07120	29.3
119.04938	12.7
120.08130	20.9
123.11709	4.5
127.03935	19.0
127.11198	65.7
135.08069	14.9
135.11668	7.6
137.09637	5.3
137.13258	8.8
145.04994	36.0
151.11171	15.1
153.12752	65.1
155.14316	71.9
156.06461	5.1
163.11308	4.1
164.07285	6.7
171.13774	38.3
175.09030	11.0
176.98834	5.5
177.12773	6.5
187.03889	10.5
191.11836	8.4
195.13805	19.1
195.46690	4.1
203.08582	7.1
215.03401	32.1
221.09473	4.8
233.04445	7.6
253.14435	5.9
256.82602	4.7
271.15353	7.0
305.07828	4.4
333.07571	96.3
333.14279	4.5
333.24780	19.9
333.28235	7.3
334.07980	16.7
359.13864	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03967	2.1
55.01870	2.8
55.05511	4.9
57.03444	8.2
57.07079	11.0
59.05004	11.2
60.04525	2.6
61.02930	8.7
64.61654	1.0
64.92665	1.1
67.05505	8.3
69.03433	25.6
69.07065	10.5
69.44540	4.0
70.06605	1.3
71.05003	3.8
72.08170	1.7
73.02923	3.0
79.05505	2.8
81.03421	9.0
81.07044	5.4
83.04964	2.3
83.08623	4.5
85.02908	70.9
85.06548	12.8
85.10213	1.3
86.09708	12.3
87.04451	2.3
87.09518	1.2
87.10005	5.4
91.03973	4.0
91.05492	3.2
93.07038	6.6
95.04957	5.6
95.08604	41.6
97.02900	23.1
97.06526	7.3
98.09676	2.4
98.22696	2.4
98.98466	11.4
99.04446	3.8
99.08098	16.1
107.08616	8.8
109.02906	5.6
109.06516	7.1
109.10166	18.6
111.04397	1.4
111.08078	12.2
113.09643	39.1
119.04917	1.2
123.11715	1.3
127.03914	14.7
127.11197	45.4
132.10275	1.9
135.11679	15.3
137.13310	1.6
139.07500	1.2
145.04976	16.5
153.12746	100.0
154.13104	3.0
155.14340	4.0
163.06047	1.8
171.13811	54.8
173.12894	7.4
174.07712	3.5
174.13229	6.1
177.12721	1.8
195.13811	1.7
201.12376	1.3
202.12706	2.2
213.14932	2.8
215.03468	3.7
219.87735	1.1
237.63167	1.2
249.15012	1.6
279.16058	1.5
332.24466	1.6
332.27713	5.8
333.07587	11.7
333.18942	9.2
333.24689	5.1
333.28323	9.8
334.08246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11519	0.6
65.04907	0.7
70.00359	1.8
77.25536	0.6
98.23392	0.9
247.12982	2.5
315.19339	5.7
316.19662	0.9
333.16656	17.4
333.20303	100.0
334.17053	1.1
334.20660	7.0
334.29422	2.6
356.31223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62643	0.8
57.07071	1.6
57.76611	0.8
59.95642	0.7
65.02139	0.7
67.05508	0.8
70.06607	0.8
71.06889	1.1
71.08628	1.3
72.04510	3.8
79.05509	0.8
81.07052	1.2
88.07619	2.4
89.07990	0.9
93.07084	1.3
95.08611	2.1
98.98470	6.2
107.08572	1.0
109.06505	1.3
109.10114	0.9
160.39561	0.7
165.12732	5.7
176.98921	1.0
220.16879	1.2
236.20119	1.7
236.81160	0.8
289.21634	1.0
314.33270	1.5
332.34280	12.1
333.17050	4.1
333.20343	100.0
333.34702	7.9
334.20679	6.3
334.27139	4.6
354.12469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29729	0.5
70.06562	0.6
70.53500	1.2
85.00687	0.5
87.71603	0.6
88.07613	1.5
91.05481	0.6
93.07035	0.5
94.84644	0.5
98.98467	1.2
116.46332	0.6
128.10747	0.8
234.13596	0.5
242.24797	1.8
254.76830	0.6
270.99652	0.5
314.32877	0.6
315.19244	2.4
325.64700	0.5
333.20343	100.0
334.20718	6.9
334.29892	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
56.05035	0.8
57.07074	0.6
58.06597	2.9
67.05507	0.9
72.08163	1.0
74.06094	0.7
79.16840	0.4
80.94872	0.6
81.07041	0.9
84.08139	1.6
88.07630	4.8
91.05482	3.1
92.05819	0.8
95.08597	0.5
98.97573	0.7
98.98483	2.8
105.52631	0.5
112.11208	0.8
132.10211	1.4
242.24728	3.4
247.13008	2.4
247.17168	0.5
286.27332	1.2
315.19299	5.9
315.28793	5.0
332.29630	1.4
333.20361	100.0
333.29654	21.0
334.20734	6.2
334.29675	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06163	0.7
59.39555	0.6
70.72390	1.4
72.04489	0.9
79.05510	0.9
89.13338	0.7
98.98486	2.1
133.10114	2.0
235.13130	1.6
251.12506	1.0
301.19977	1.2
333.20316	100.0
334.20636	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.4
69.07063	0.4
70.06631	0.5
70.07042	0.8
72.04441	0.3
80.82927	0.3
80.94855	0.7
83.81165	0.3
84.08149	0.7
87.44664	0.3
91.05484	1.2
92.05846	0.5
98.98458	1.5
99.57119	0.3
228.22707	0.3
263.12537	0.5
315.28665	3.1
332.29477	1.0
333.20346	100.0
333.29562	12.3
334.20673	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07043	5.4
71.04988	4.5
80.94858	6.3
82.94535	3.1
83.05009	3.3
85.12827	2.8
91.05479	3.7
97.06518	3.1
98.98467	14.0
115.07569	5.8
117.06985	3.3
127.14126	2.6
193.85217	2.6
213.53703	3.7
219.65730	3.2
286.99966	3.0
310.03857	2.8
315.19241	27.0
327.78772	2.8
332.34299	8.5
333.14539	15.4
333.20325	100.0
333.24341	5.7
333.29440	3.5
333.34497	3.8
334.20844	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	333.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03950	2.7
55.01871	6.6
55.05513	18.4
56.96556	2.2
57.03437	25.0
57.07071	2.5
58.06581	0.7
65.03934	5.1
67.05501	100.0
68.05836	1.8
69.07068	16.2
69.24188	2.7
69.24590	1.4
71.04971	1.5
73.02920	2.5
77.03924	1.6
79.05492	57.3
80.05842	1.6
81.07055	66.5
82.07394	1.4
82.48906	0.7
83.04987	1.4
83.08603	3.4
84.72052	0.7
85.06534	1.2
88.07607	0.9
91.05476	32.4
92.05816	1.0
93.07041	55.1
94.07344	0.9
95.04963	8.2
95.08603	53.0
96.08960	1.3
97.06529	1.4
97.10155	1.8
98.98465	4.4
103.03951	2.8
105.04498	3.5
105.07030	18.0
107.04961	0.8
107.08592	29.1
109.06522	2.3
109.10149	18.7
111.04447	1.1
111.08076	0.9
113.06068	0.8
117.07009	3.4
119.08571	15.6
120.16761	0.7
121.06531	1.1
121.10137	17.0
123.08051	1.4
123.11690	4.3
129.05472	22.9
129.06998	1.7
131.08566	5.1
133.10124	14.1
135.08067	1.5
135.11687	9.7
137.09628	1.8
143.08575	1.1
145.10133	3.6
146.99672	0.7
147.11688	8.0
149.09583	1.4
149.13266	4.6
151.11180	0.9
157.10176	1.0
159.11661	3.7
161.13263	5.3
163.14822	1.0
165.12773	2.5
171.11656	2.0
173.13240	2.4
175.14813	1.8
177.12816	0.9
185.13248	1.0
187.14897	0.7
211.13167	0.7
215.18105	1.0
217.19453	1.2
231.21042	1.3
236.20187	1.0
241.19542	2.2
242.05995	0.7
259.20551	1.5
269.15274	0.8
315.16312	2.3
333.17139	5.2
333.21005	3.2
333.24203	76.0
334.24298	6.4
334.26749	1.0
334.27808	1.7
351.18198	1.1
356.19031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
53.71283	0.6
55.01876	0.9
57.03430	1.2
61.02929	3.6
69.03441	5.4
70.67427	0.7
71.04996	1.3
73.02923	1.0
74.06087	1.1
76.65881	0.6
81.03416	2.3
85.02911	25.0
86.09708	0.5
91.03959	1.8
91.05481	9.6
94.96030	0.5
97.02904	8.0
99.04439	1.3
109.02876	1.6
109.06450	0.6
119.04951	6.9
120.08108	0.6
127.03925	4.0
134.55672	0.5
137.05984	100.0
138.06354	3.1
143.82364	0.5
145.04979	7.7
149.05949	0.6
151.07576	0.9
155.07045	11.3
161.06030	0.7
163.06056	1.5
172.08267	0.6
172.09682	1.1
179.07056	2.0
180.08690	5.6
181.53165	0.5
203.07034	0.7
221.08015	1.2
245.08011	0.8
250.12958	0.6
251.09421	0.7
263.09131	1.5
281.10336	0.6
281.16351	0.5
299.11179	0.7
334.14130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1794
Annotation	Ala Leu Met
Peak:m/z	Relative Intensity
51.02239	0.3
53.91203	0.3
55.05514	0.4
56.05035	4.8
61.01151	2.0
61.64469	0.4
66.81927	0.4
69.07059	0.9
70.06591	25.1
71.45071	0.5
72.08150	1.1
74.06058	0.4
75.77534	0.3
76.15216	0.4
81.07082	0.5
84.04507	0.8
84.05021	0.4
84.08129	0.5
86.09705	100.0
87.10062	2.0
95.04961	0.5
95.08636	0.5
98.98470	0.5
104.05325	8.3
107.08581	0.5
116.07092	14.0
117.07495	0.4
120.08103	15.3
132.08022	0.4
133.03192	5.4
136.07605	0.6
141.10213	2.3
146.05983	0.6
150.05836	20.5
151.06145	0.4
157.13361	60.4
158.13698	1.8
166.08641	0.5
169.09717	2.4
169.13342	0.5
185.12849	23.3
186.13203	0.8
187.10783	0.9
188.07047	0.9
191.11794	5.3
201.25237	0.4
219.11266	1.6
222.01985	0.4
263.14081	7.2
264.14365	0.4
291.19492	0.5
317.11191	0.7
334.08130	0.4
334.15076	0.8
334.18094	0.5
334.25162	1.5
335.12451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82770	0.5
55.01886	0.5
55.05509	0.7
58.06605	0.6
62.19979	0.5
66.14126	0.5
67.05500	1.0
70.06566	0.6
70.32082	0.9
79.05489	5.0
81.07056	5.0
83.04952	0.5
91.05482	32.7
93.07048	1.5
95.08588	1.1
96.06436	0.5
96.08186	0.6
97.06531	1.3
98.97593	0.7
98.98457	1.0
105.07037	2.5
107.04902	0.6
107.08588	3.2
109.06529	2.5
110.09823	0.5
114.09086	0.6
115.05428	1.6
116.98608	0.5
117.07021	52.3
118.07355	1.5
119.08572	0.9
121.10141	1.0
123.08013	0.7
124.07599	0.8
128.06197	0.6
129.06976	1.7
131.08572	7.1
133.10149	3.2
135.11676	1.2
141.07034	0.8
143.08559	3.4
145.10144	1.7
149.09653	0.8
157.10086	0.7
161.09621	22.8
162.09909	0.7
178.34212	0.5
183.11783	0.8
249.16356	0.9
249.26704	0.5
267.17368	3.6
285.18420	3.6
293.03104	0.6
298.22098	0.7
298.25281	1.6
316.22678	3.1
316.26379	2.5
334.23776	100.0
334.27274	6.4
335.24094	5.5
351.64264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
55.01869	1.2
55.05514	1.2
57.07069	1.7
58.06604	0.7
67.05499	3.0
69.07068	2.1
70.06596	5.0
70.52171	0.9
70.52491	0.5
71.08617	0.8
77.03919	1.5
79.05494	2.8
80.94791	0.5
81.07063	5.0
83.08614	0.7
84.08121	0.6
88.07634	3.3
91.05481	9.1
93.07050	1.5
95.04969	3.9
95.08604	2.6
97.06530	2.2
98.06037	0.9
99.08093	0.6
105.03391	49.0
105.04527	2.0
105.07014	3.4
106.03714	1.0
107.08611	2.1
109.06506	0.7
114.09148	2.8
115.05386	0.8
117.07001	5.8
119.08562	2.5
120.91845	0.6
121.10133	0.8
123.08060	1.7
128.06198	0.7
129.06990	1.9
131.08563	2.5
132.10197	8.0
133.06470	2.7
135.11606	0.6
141.07008	0.7
141.09105	0.6
143.08574	1.6
145.06454	0.5
145.10153	2.8
147.08034	1.0
147.11690	10.4
155.71474	0.6
157.10101	1.1
158.71751	0.5
159.08102	0.7
161.09677	0.9
163.11087	0.8
165.12891	0.6
167.08524	0.7
169.10078	1.2
171.11682	1.6
173.09679	0.8
176.12807	1.7
181.10086	0.8
183.11668	1.6
187.11249	0.9
194.13858	1.1
207.11725	0.8
214.21625	0.6
228.23199	1.3
246.24281	1.4
249.16431	0.9
267.17389	1.3
285.18433	5.9
298.21738	1.1
298.25195	0.6
303.19565	0.9
315.77850	0.6
316.22711	5.0
316.26068	0.9
328.78986	0.6
328.82999	0.6
330.19669	0.6
334.23743	100.0
334.29504	28.3
335.24030	6.3
335.29938	1.3
358.19672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.3
56.05052	0.8
57.02513	0.3
57.03474	0.5
57.07110	0.8
58.06625	1.3
59.84970	0.3
60.40889	0.3
67.05501	2.3
68.05059	1.5
69.07083	0.8
69.09187	0.7
69.09584	1.6
70.06593	16.3
71.08646	0.3
72.08172	0.8
73.89262	0.3
79.05503	1.7
80.94904	0.5
81.07062	2.1
82.06597	0.7
83.67345	0.4
84.08164	0.9
85.02957	0.4
86.09724	0.4
88.07651	1.3
91.05479	7.7
91.06052	0.4
93.07054	1.4
94.06552	0.8
95.08617	1.5
96.08134	9.0
97.06537	0.5
97.08932	0.8
98.06054	85.4
98.09695	1.2
99.06380	1.2
102.09174	0.8
105.07030	1.0
107.04985	0.4
107.08608	0.4
109.10175	0.6
110.09617	0.4
114.09170	8.9
116.07091	100.0
117.06986	1.2
117.07457	0.6
118.58977	0.3
121.10233	0.4
129.07008	0.6
131.08546	1.7
132.10211	1.6
138.88666	0.4
146.11716	2.0
173.68512	0.3
184.20494	0.4
226.45787	0.3
228.23245	3.6
258.49341	0.4
272.25858	7.4
273.26001	0.4
282.25174	0.4
296.49628	0.3
298.25293	13.2
299.25378	0.7
316.26303	9.2
317.26175	0.8
334.23215	13.3
334.26822	45.3
334.35074	1.1
335.23874	0.8
335.27298	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	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37677	0.6
52.94150	0.6
53.03933	1.6
55.01866	3.7
55.05510	21.2
57.03436	21.4
57.07081	4.7
63.98840	0.7
65.03943	3.3
67.05503	86.2
69.03428	1.5
69.07068	23.1
69.46819	2.0
71.04985	3.4
71.08630	8.5
72.04514	59.3
73.04856	1.0
77.03920	1.3
78.49280	0.6
79.05493	44.3
80.97633	0.7
81.03400	0.7
81.07055	73.8
83.04978	2.9
83.08626	7.6
85.06548	4.7
85.06980	0.7
88.07629	1.4
91.05010	0.4
91.05476	22.0
93.07043	51.0
95.04353	0.7
95.04501	0.4
95.04970	19.1
95.08604	63.9
97.06534	6.0
97.10178	3.2
99.08083	3.8
100.07597	1.3
102.58784	0.7
105.04529	1.8
105.07027	16.8
107.08591	26.8
109.06517	18.4
109.07211	1.3
109.10153	22.7
111.08073	2.3
114.09177	14.3
117.07005	4.9
119.08571	12.4
121.06530	3.3
121.10143	19.1
123.08094	2.4
123.11702	6.6
125.09561	0.8
128.10718	6.3
131.08572	8.5
133.10124	10.0
135.08070	2.8
135.11693	8.3
137.09653	1.7
137.13237	2.1
140.10716	1.7
140.14348	1.1
142.12283	3.8
145.10100	6.1
147.11688	5.9
149.05914	0.7
149.09662	1.5
149.13239	7.3
150.06261	0.8
151.11159	1.0
151.14864	1.3
152.30229	0.7
153.12697	0.8
154.12268	1.3
156.13843	1.6
157.10190	1.2
159.11719	3.2
161.13258	1.6
163.11212	2.0
163.14825	2.4
165.12749	70.3
166.13156	1.8
168.13774	0.7
173.13274	7.0
175.11157	2.5
175.14848	1.8
177.12735	1.8
179.14308	1.7
180.13840	2.4
182.15390	10.0
183.11765	1.2
183.15736	0.8
184.13290	1.1
187.14793	1.6
191.14339	6.0
194.15378	1.1
197.13234	0.9
201.12737	3.6
209.15427	0.8
212.16466	6.5
219.17520	0.8
220.16968	8.8
229.19498	2.8
236.20073	27.6
237.20380	0.8
243.21109	0.9
252.07843	0.6
253.19588	1.0
261.22150	2.7
271.20578	4.2
289.21622	6.8
316.26431	5.7
334.27365	50.9
335.21899	12.5
335.25696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49771	0.3
53.21325	0.3
55.01873	0.5
55.05511	1.3
56.05039	0.7
57.03439	7.6
57.07084	1.8
58.06605	1.3
62.98792	0.3
65.03946	0.4
65.89605	0.3
67.05511	2.9
69.07063	3.1
70.06592	6.0
71.04996	0.7
71.08649	0.3
71.21980	0.3
71.22312	0.3
72.04523	0.7
72.08154	11.1
79.05490	3.0
81.07053	7.8
81.07502	0.6
83.04985	1.2
83.08620	0.3
84.08140	2.1
85.06528	0.8
85.08929	1.0
86.09713	1.0
88.07631	2.0
91.05479	26.1
92.05833	0.5
93.07040	1.3
95.08603	4.5
96.08095	0.4
97.06525	2.7
98.09694	13.3
98.98518	0.3
99.08088	2.2
99.10036	0.4
102.09200	1.8
105.07021	2.3
107.04964	0.7
107.08617	0.7
109.10172	1.1
113.09644	1.9
114.09224	0.3
115.05479	0.8
117.06160	0.7
117.07014	13.7
119.08585	0.3
121.10113	0.4
123.11765	0.3
124.11233	0.8
125.09625	0.7
128.10693	0.6
129.06992	2.9
131.08566	9.1
132.10175	2.1
140.03001	0.3
141.07001	1.3
142.12279	5.4
143.08554	1.7
145.10170	0.6
146.11769	2.4
149.13283	0.7
155.08514	0.6
157.10127	5.0
158.15480	0.4
159.11697	0.7
169.10150	0.6
171.11697	0.9
175.11143	1.8
183.11578	0.6
184.20581	0.4
197.13188	0.6
212.33766	0.4
228.23199	4.3
271.20468	2.3
272.25842	9.8
273.26328	0.4
293.10666	0.4
298.25360	0.4
316.26312	17.2
317.26688	1.3
325.56302	0.3
334.27078	100.0
335.23758	0.4
335.27429	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78328	0.3
51.11068	0.3
56.05024	1.1
57.03455	0.3
58.06592	0.6
60.59055	0.2
64.05527	0.3
67.05496	0.8
68.05044	0.5
69.07059	0.6
69.18529	1.8
70.06598	1.5
72.08138	0.5
74.78606	0.3
75.93308	0.3
78.51643	0.2
79.05499	1.8
81.07063	1.9
82.06580	2.0
84.08140	1.0
91.05487	1.8
93.07045	1.6
94.06547	0.4
95.04953	0.3
95.07333	0.8
95.08591	0.4
96.08150	0.3
97.06532	3.2
98.09733	0.4
98.23450	0.5
105.07026	0.4
108.08125	1.6
110.09678	18.4
111.10039	0.4
112.47011	0.3
114.09171	1.2
117.07017	0.5
119.16212	0.3
126.41287	0.3
128.10716	100.0
129.11057	2.0
131.08530	0.3
316.26343	1.2
334.20654	1.8
334.27371	38.6
335.27710	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90679	0.4
55.05515	0.6
56.05029	1.7
58.06597	1.3
62.32620	0.5
67.05494	0.6
69.07050	1.1
69.84841	0.5
69.92960	1.4
70.06591	2.3
76.54601	0.4
79.05504	1.3
80.94833	0.8
81.07047	1.2
82.05798	0.4
82.06582	1.7
84.08160	1.0
88.07635	0.5
91.05489	1.3
93.07046	1.9
95.07348	1.2
95.08645	1.0
96.01057	0.5
96.27964	0.5
97.06525	2.7
98.98466	0.6
102.48091	0.5
108.08115	1.7
110.09677	20.0
111.09959	0.7
128.10713	100.0
129.11079	2.3
138.22322	0.5
228.23241	0.6
316.26236	1.2
334.27283	45.1
335.27621	2.5
356.72415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.2
57.02466	0.6
61.19572	0.6
61.43655	0.6
63.54316	0.5
67.05502	1.0
68.96534	0.6
69.78407	1.0
69.78745	1.0
70.06583	1.5
70.98111	6.2
72.08131	1.3
84.08138	1.8
85.02900	2.5
86.09692	1.5
87.10021	0.6
88.99146	1.6
91.05459	0.7
91.89787	0.7
97.02908	1.0
98.97580	100.0
109.93630	0.6
116.98620	25.6
123.05555	2.5
127.03910	0.7
128.98586	5.7
131.00201	3.9
134.99658	4.4
135.84015	0.8
137.05992	4.3
138.05473	4.0
138.06255	1.0
139.88878	0.6
140.00221	0.8
145.04977	0.7
146.99666	4.6
149.01202	3.0
156.06512	3.0
156.98076	2.0
158.99644	16.2
174.99155	7.6
176.24178	0.6
177.00705	64.6
178.01147	0.8
193.00201	6.1
195.01768	25.9
200.02252	1.0
202.98660	0.9
206.04877	0.9
207.01765	0.6
217.00191	1.7
219.01709	3.9
220.99672	1.2
224.06094	1.0
232.99629	0.8
235.01251	16.7
237.02820	1.8
247.01245	17.1
247.03799	1.1
253.02313	13.2
265.02313	30.4
271.03442	0.7
275.00711	0.9
283.03448	1.4
288.03931	1.1
293.01834	1.9
314.80249	0.6
335.10974	2.6
335.89240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.6
56.96568	61.7
70.06600	6.4
70.80698	1.8
70.98123	55.7
72.08153	4.2
73.80917	0.9
74.97614	1.9
78.45973	1.0
78.63521	1.1
84.04525	1.5
84.08154	10.1
84.96031	2.2
85.02923	1.0
86.09712	6.2
88.99158	18.8
89.10938	1.1
96.05547	1.1
97.02898	4.4
98.97578	25.9
101.00862	1.3
107.00194	3.1
110.07158	2.0
110.97578	1.9
112.99115	1.5
113.00861	1.2
115.00729	1.6
116.98628	10.5
119.01962	2.9
123.05561	14.1
124.95471	1.3
128.98616	20.3
128.99516	1.8
129.10254	4.6
131.00217	1.6
131.01917	3.2
133.01735	1.5
133.03485	1.4
134.99644	3.1
136.06227	2.4
136.07544	2.4
137.06033	1.8
143.01912	4.1
145.01711	1.5
145.03453	1.0
146.99658	35.6
154.96526	22.1
155.01924	2.1
161.02975	4.0
163.83073	1.0
165.00711	16.8
172.97591	82.6
173.01144	2.2
173.06613	1.2
173.12863	1.3
174.13225	1.3
174.99281	1.1
175.00818	2.2
176.97397	1.1
177.00787	1.2
182.96056	1.4
185.06615	2.4
186.99181	5.6
187.08174	1.3
189.00726	2.3
190.98636	91.8
191.02226	9.5
191.99033	1.5
200.97099	9.5
202.99101	1.1
203.02278	2.0
205.00211	27.7
206.00519	1.3
208.99677	14.4
209.51248	1.2
213.00742	1.6
214.09380	1.7
214.98595	14.0
215.00259	1.4
215.09398	2.8
218.98128	28.9
219.01627	2.2
223.01257	19.1
224.01767	1.3
231.01814	2.8
232.10382	2.4
232.99692	100.0
233.10484	1.8
233.99965	1.2
236.99207	9.0
244.10410	1.4
246.62215	1.1
247.01216	9.7
251.00757	36.9
255.58952	1.4
260.99045	2.6
264.99384	1.2
265.02393	3.0
266.08661	1.2
269.01782	1.7
275.00729	47.8
275.09927	1.8
276.01132	2.1
292.98499	2.8
293.01788	41.8
293.10815	3.9
294.02148	1.2
311.02792	1.7
312.07773	1.1
335.10999	8.4
335.18951	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.11
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51688	0.7
54.19127	0.6
58.06585	0.7
60.37380	0.7
62.97012	0.6
68.77920	0.7
69.93356	1.4
70.06600	0.9
72.03766	0.6
92.38627	0.7
105.07029	4.5
116.07076	0.7
133.06496	12.2
141.87366	0.8
149.04646	0.7
153.19269	0.7
155.04654	9.9
160.06682	0.6
179.13490	0.7
201.03738	6.9
203.05247	19.1
334.24966	2.2
335.10989	100.0
336.11499	3.8
355.63864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80690	0.8
56.05024	2.6
56.96569	23.0
60.04527	1.0
68.69843	0.9
68.98286	1.4
69.80692	2.0
70.06596	6.0
70.08797	0.8
70.97739	0.7
70.98119	17.6
70.99871	1.2
72.08159	3.7
77.00896	1.5
82.99860	3.7
84.04510	1.0
84.08147	9.3
85.02905	1.7
86.09702	5.4
87.05595	1.1
87.97966	0.8
88.99158	6.7
89.00906	1.0
94.99860	1.3
96.04578	0.9
97.01397	1.3
97.02896	4.9
98.97575	9.9
101.00881	24.5
104.05316	2.3
107.00163	1.0
107.04967	0.9
110.07198	0.9
110.97581	1.1
113.00864	9.8
113.04482	1.1
115.02436	5.2
116.98641	4.4
119.01922	31.8
120.02047	2.0
120.08111	1.9
123.05547	16.4
127.02415	1.6
127.03925	1.0
128.98582	5.9
129.03967	2.4
129.10251	2.2
131.01910	22.5
131.05560	10.3
132.05690	0.9
133.03445	5.4
134.99651	2.2
136.07607	5.3
137.00874	2.4
137.02948	1.2
137.05960	1.8
138.06317	2.6
143.01903	87.1
144.02028	4.6
145.03456	7.7
146.99658	11.7
147.01408	1.2
147.05081	4.2
149.02962	3.0
149.06602	8.8
154.96503	5.9
155.01898	28.0
155.05505	4.9
155.11810	1.3
156.02725	2.2
157.03464	3.7
159.05072	5.1
161.02963	84.8
162.03123	3.6
163.04494	1.0
164.02498	0.9
165.00711	6.0
167.05515	3.0
169.07114	1.8
170.96066	0.9
171.05060	3.2
172.97581	24.0
172.99011	1.5
173.01448	1.9
173.02975	20.6
173.06602	32.7
174.06764	1.8
174.13210	1.2
175.04500	2.4
175.08142	1.0
176.97342	1.2
177.00871	1.2
177.06039	4.2
184.04573	1.3
185.03056	2.6
185.06604	36.8
186.06699	2.4
186.99165	1.7
187.08133	6.9
190.98643	33.5
191.00388	2.0
191.02298	1.4
191.07649	10.0
197.06631	2.5
199.08232	2.2
200.97087	3.0
201.06088	1.8
203.02367	1.9
203.04024	12.1
203.07663	17.9
204.07912	1.4
205.00262	7.6
205.09180	1.4
207.04968	1.0
208.99684	5.8
209.06609	2.8
214.98558	4.7
215.07643	18.4
217.09232	2.3
218.98116	9.3
219.01926	2.0
221.02922	1.5
221.05066	24.0
222.05440	1.8
223.01279	7.2
227.07677	3.3
231.01785	1.3
232.99687	31.2
233.08780	4.3
236.99228	2.2
247.01340	3.1
251.00758	13.0
256.01273	1.2
257.08676	5.9
270.92120	1.5
275.00735	13.6
275.03439	1.3
275.09763	42.5
276.10062	2.5
288.92941	1.1
292.98682	1.6
293.01816	13.0
293.10812	100.0
294.10986	7.1
301.33878	1.1
312.07901	2.1
316.12335	1.1
316.20966	1.0
335.11804	75.0
336.11948	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	335.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78176	0.3
67.05498	4.7
69.34936	0.9
69.35363	1.1
70.06596	1.7
71.05009	0.3
71.43971	0.3
77.03944	0.4
79.05499	0.8
81.07036	0.8
83.04929	0.4
84.08150	0.4
86.09694	0.8
91.05475	1.4
93.07037	1.3
94.06558	3.9
95.04944	0.8
95.08611	0.8
102.82396	0.4
105.07022	0.7
107.08571	0.5
108.08138	0.7
109.10182	0.4
119.04951	0.4
119.08585	0.6
120.08094	1.9
121.02886	1.0
121.06519	1.5
121.10137	0.4
122.06027	12.7
133.10205	0.4
135.11674	0.6
136.07568	59.2
137.07919	1.7
140.07082	1.5
150.72322	0.4
161.06050	0.4
164.07056	100.0
165.07457	3.1
177.10257	0.7
182.08122	71.9
183.08496	1.9
189.01791	0.5
189.05444	0.8
217.01300	0.4
217.04970	2.5
235.05931	0.6
307.06015	0.7
320.35672	0.4
334.29230	0.5
335.05374	1.6
335.09039	9.0
335.13538	0.5
336.06003	0.8
336.09506	0.6
336.25342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
65.95978	0.3
67.05503	5.2
69.07065	0.3
69.18126	1.7
70.06590	1.5
71.04969	0.3
73.15026	0.3
79.05511	0.6
80.31624	0.2
81.07041	0.6
84.08154	0.4
86.09719	0.4
89.05988	0.2
91.05492	0.8
93.07030	1.2
94.06566	4.8
95.04974	0.6
95.08640	0.3
105.03369	0.3
105.07000	0.4
107.08606	0.3
108.08128	0.7
109.10130	0.3
117.07010	0.3
120.08105	1.3
121.10154	0.5
121.18571	0.3
122.06030	15.1
123.06316	0.3
136.07571	51.5
137.07907	1.3
140.07071	1.0
145.10086	0.4
147.08057	6.4
164.07057	100.0
165.07430	2.8
182.08124	69.9
183.08438	1.7
196.09695	3.9
236.44778	0.3
261.15909	0.4
262.14258	0.3
274.52142	0.3
285.12396	0.3
335.14749	0.4
335.20578	3.0
336.21378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46193	0.5
57.07067	1.2
58.06605	0.7
70.03619	1.5
70.06592	4.3
71.06914	0.9
72.08134	0.7
84.09840	0.5
86.09705	38.9
87.10046	0.9
88.07613	1.3
93.07033	1.0
98.08414	0.4
98.23538	0.7
103.05451	3.1
104.99113	0.5
114.65392	0.5
120.08102	100.0
121.06493	3.9
121.08447	2.4
128.10719	15.0
131.04932	1.3
132.10170	1.4
146.11775	1.4
149.62764	0.5
156.10199	3.2
163.07535	2.5
167.62369	0.5
172.27049	0.5
180.10188	59.7
181.10490	1.8
228.23308	0.5
229.23572	1.7
231.68469	0.5
272.25821	2.2
273.26175	10.2
302.59961	0.5
330.83054	0.5
334.29449	3.4
335.29837	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
58.06601	1.1
67.05502	0.8
69.07070	0.5
69.96393	0.4
70.06585	1.6
74.06093	0.7
79.05501	0.9
80.94842	0.5
81.07043	1.4
83.08630	0.5
91.05484	3.6
93.07003	0.6
95.08614	1.2
105.07044	1.0
117.07005	1.1
121.10175	1.0
128.10709	2.0
131.08566	2.1
141.35297	0.4
184.46141	0.4
206.85318	0.5
288.92212	0.5
300.26859	1.8
301.81265	0.5
317.20828	1.6
318.27914	1.6
335.21893	100.0
336.22266	6.4
336.28857	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27226	0.6
70.94959	0.6
77.97893	0.5
78.79189	0.5
84.06047	0.5
101.98034	0.5
104.98151	0.5
115.20900	0.5
152.81744	0.5
177.37421	0.5
219.65562	0.6
228.05701	0.6
260.13263	0.6
335.21915	100.0
336.22296	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18862	1.0
55.22213	1.1
58.99137	1.0
69.68713	3.3
80.94848	3.6
81.07052	1.3
82.94554	1.3
89.45715	1.0
93.07077	1.2
134.15994	1.2
146.38058	1.0
146.41998	1.1
164.92046	2.7
217.27254	1.0
233.54863	1.0
239.55803	1.0
261.02267	1.0
261.10757	1.2
288.91888	2.3
301.16815	1.1
335.21890	100.0
336.22089	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.10859	0.8
53.03938	1.5
55.01869	2.3
55.05514	18.3
56.35129	0.7
57.03176	1.4
57.03439	17.5
57.07063	2.5
58.39393	0.8
59.05015	0.9
65.03929	2.8
67.05504	68.0
68.05825	1.6
69.03423	1.1
69.06707	1.5
69.07066	21.8
71.04987	5.2
71.08633	1.4
74.62212	0.7
74.74330	0.8
77.03922	1.3
78.21901	0.7
79.05492	42.9
81.07057	70.2
82.07391	1.1
83.04977	1.9
83.08620	8.9
85.06548	2.4
85.33742	0.9
88.15199	0.8
89.05999	0.9
91.05474	29.8
92.05858	1.2
93.07044	48.0
94.07393	1.2
95.04964	6.9
95.08605	59.0
96.08946	1.3
97.06543	3.6
97.10153	3.5
99.08087	1.6
100.81805	1.0
105.04507	1.8
105.07021	23.4
105.08948	0.9
107.08597	29.3
108.08941	0.9
108.85965	0.8
109.06512	3.4
109.10159	23.4
110.10522	0.9
111.08105	2.2
115.07565	1.3
116.06226	1.1
116.34833	0.9
117.07024	7.6
119.06102	0.9
119.08585	22.9
120.08954	1.4
121.10146	23.4
123.08083	2.0
123.11708	8.9
129.05502	2.1
129.07045	3.1
131.08571	19.8
133.10130	22.5
135.08066	2.5
135.11697	15.4
137.09596	2.3
137.13287	2.0
141.06972	1.1
142.07776	2.2
143.08603	5.6
145.10123	15.1
146.10419	1.0
147.08057	1.5
147.11664	9.6
149.09598	1.5
149.13280	7.1
155.08592	2.7
156.09372	3.0
157.10126	8.1
158.10907	3.1
159.11710	7.7
161.09639	1.5
161.13266	6.5
163.11089	1.7
163.14822	3.4
165.12747	1.5
169.10149	3.5
170.10791	1.2
171.11688	5.5
173.13239	14.1
174.13626	1.0
175.14781	5.3
177.16376	1.0
179.08408	1.0
181.10179	1.4
182.39301	0.8
183.11696	2.4
184.13411	1.1
185.13327	2.2
187.14841	6.4
193.10098	1.3
195.11691	1.8
197.13272	3.3
199.14754	4.4
201.16457	1.9
207.11755	1.8
209.13327	2.8
211.14894	1.5
212.15532	1.7
221.13232	1.8
222.14017	1.3
223.14799	1.9
237.16397	1.1
243.21048	7.8
251.17961	1.8
261.22171	8.5
265.19403	1.0
277.19519	2.2
292.21921	0.9
317.24759	6.3
335.25839	100.0
336.26120	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	336.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
56.05033	1.9
59.04974	0.4
60.04524	8.0
62.05433	0.3
67.05499	0.6
69.07069	3.2
70.06600	2.4
72.08156	11.0
73.08447	0.3
77.00986	0.3
81.07065	0.5
83.06107	4.8
84.04505	100.0
84.08148	0.8
85.02914	0.8
85.04839	1.0
86.09712	2.5
91.05493	0.4
93.07035	0.8
95.08598	0.8
96.08127	0.4
97.06529	0.4
98.06039	0.5
101.07146	3.9
103.05481	1.1
110.07170	0.4
111.11731	2.5
112.08750	0.4
116.07127	0.5
120.08106	24.8
121.08486	0.6
121.10155	0.8
126.05527	3.1
128.10741	0.8
129.06607	2.8
130.04991	2.0
139.11195	3.5
143.08156	17.2
143.11807	2.6
144.08575	0.4
149.06032	0.4
152.07103	0.5
154.04990	0.9
157.12236	4.2
166.08636	6.4
171.07651	33.1
171.11275	2.4
172.08076	0.6
180.06586	0.8
186.09201	0.3
191.11749	2.4
198.07632	0.7
219.11305	0.8
231.11166	0.7
233.16565	0.7
237.12416	1.0
261.15735	0.5
273.12357	0.8
277.11975	0.6
306.26877	0.3
336.06210	0.6
336.11258	0.8
336.14938	0.4
337.07025	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	336.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.8
56.05037	2.3
57.05828	0.9
67.05509	1.3
69.07082	0.9
70.06590	2.1
70.75327	1.1
72.08157	100.0
73.08488	1.2
79.00529	0.8
79.05496	1.3
84.04492	1.9
86.09715	5.0
91.05496	1.1
93.07053	3.0
93.20741	0.7
93.50184	0.6
95.04954	1.2
95.08600	1.4
100.07613	1.0
103.05480	1.3
104.05345	1.6
106.04113	0.6
107.04953	1.0
110.09718	0.7
118.06618	0.8
119.04934	1.4
120.08109	57.8
121.02891	7.2
121.08466	1.6
121.10120	2.1
130.06519	2.0
132.08136	3.2
139.11197	2.1
143.11801	70.2
144.12169	1.3
145.02823	1.0
147.04431	0.6
155.10634	0.8
157.12300	1.8
159.09146	5.7
162.03204	1.0
165.12096	0.7
166.08649	17.7
167.09036	0.8
170.06042	2.1
171.11293	31.3
172.11760	0.7
176.01067	1.3
188.07089	1.4
189.01830	2.0
190.02596	1.1
191.03404	4.4
191.11789	7.5
194.02248	0.8
201.01927	0.9
217.05121	1.1
218.05278	0.8
219.02933	2.5
219.11356	2.9
219.14970	1.8
223.10786	1.4
233.16405	3.7
236.16794	0.7
237.03970	0.6
237.12395	1.2
261.06644	0.7
261.15894	1.0
265.15491	3.0
279.06628	1.5
281.08139	1.6
294.05145	5.7
307.05939	4.0
308.06735	5.3
309.07593	6.4
319.06137	3.2
319.11209	3.1
336.06168	5.8
336.09668	7.5
336.22012	0.9
337.07034	38.9
351.57544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1918
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
54.57232	0.6
65.69783	0.6
69.21685	3.7
70.06606	0.7
75.05584	1.5
86.09706	100.0
87.10029	1.2
91.05489	0.9
95.04954	0.8
98.22649	1.0
103.05477	3.0
107.04958	1.1
107.21716	0.6
107.88201	0.6
112.90268	0.6
119.04911	0.8
120.08105	88.3
121.08452	2.3
131.04924	1.3
132.10193	2.3
143.11798	84.6
144.12155	2.5
149.05995	0.7
163.03979	1.2
166.08644	37.5
167.09001	1.4
171.11288	24.8
172.11615	0.9
177.10234	19.6
178.10617	0.7
191.03337	1.0
205.09729	5.6
279.16992	1.8
281.08066	1.6
295.06140	0.7
308.06564	0.8
309.07507	5.0
336.21799	1.5
337.07037	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	336.1918
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
50.23676	0.3
54.08990	0.3
69.44173	1.3
72.17032	0.4
86.09713	14.2
87.10058	0.4
93.07067	0.8
95.04978	0.8
98.22742	0.5
103.05472	1.5
120.08108	100.0
121.02948	0.6
121.08463	2.8
132.10204	4.6
143.11821	2.3
148.07626	0.5
152.17465	0.4
163.03918	1.1
171.11371	0.4
177.10237	48.7
178.10657	1.7
191.03264	0.5
205.09732	12.9
208.90857	0.4
209.16537	0.6
279.17023	1.3
281.08188	2.2
286.36227	0.4
309.07559	6.3
328.22653	0.3
337.07077	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	336.192
Annotation	Val Phe Ala
Peak:m/z	Relative Intensity
50.95232	0.3
52.71240	0.3
55.05511	4.2
56.05041	0.8
57.05809	0.4
62.31431	0.3
62.54066	0.3
63.39776	0.4
69.07078	0.4
69.74738	0.3
70.06592	3.4
71.43348	0.3
72.08158	46.8
73.08504	0.5
84.04542	0.5
84.08147	1.5
85.02903	0.6
86.09706	1.9
91.05479	0.6
93.07069	1.2
94.48947	0.3
95.08603	0.5
103.05475	1.7
108.37066	0.4
110.07150	0.5
111.08099	0.7
113.08674	0.3
114.10289	0.7
115.08699	0.3
120.08108	100.0
121.06467	0.6
121.08437	3.4
129.10249	0.8
134.90076	0.3
136.07562	0.6
139.07545	1.2
145.02876	2.4
146.05988	0.4
149.00539	0.6
157.08612	1.2
164.07428	0.7
166.92148	0.4
177.05492	4.4
189.12378	2.2
190.44272	0.4
219.14934	39.7
219.66109	0.3
220.15271	1.4
237.12354	5.8
238.12651	0.4
239.42160	0.4
247.14439	12.9
248.14827	1.0
271.90131	0.4
307.17657	2.5
318.22592	0.3
319.17661	1.2
336.15927	2.0
336.19559	0.6
336.23358	0.4
337.12704	0.6
337.18558	0.5
339.78119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.8
55.05502	2.6
57.03432	2.6
65.60206	1.1
67.05503	16.5
67.31174	1.2
69.07063	3.1
69.39485	2.1
69.39899	4.2
70.06584	2.0
71.04987	2.9
72.08155	1.4
75.91498	1.1
77.04118	1.1
79.05502	9.1
81.07063	9.8
83.04975	23.9
83.08611	2.9
84.08121	1.7
84.64309	1.1
85.02905	1.3
85.06523	2.4
86.09698	3.5
91.05487	4.0
93.07051	14.2
94.53050	1.2
95.04985	2.4
95.08604	5.7
96.08128	1.1
97.06531	5.0
97.10149	1.5
98.97571	1.9
99.04430	4.2
105.07024	2.5
107.04949	2.7
107.08598	8.0
108.08932	1.7
109.06505	1.5
109.10161	10.2
111.04443	55.6
111.08080	15.6
112.04742	1.4
112.08342	1.3
114.09206	1.9
117.07038	2.7
119.08596	5.8
120.08088	3.5
121.06502	2.4
121.10146	10.8
122.06018	1.2
125.06037	2.8
129.07037	2.8
131.08571	4.7
135.08032	1.7
135.11688	14.0
136.07588	4.3
136.79681	1.0
137.07904	3.4
143.11789	2.1
145.10120	11.3
147.08037	3.7
147.11649	3.3
148.08302	1.4
149.09618	4.8
153.12735	21.6
155.08571	1.8
163.11191	34.7
164.07091	6.3
164.11482	1.1
165.07393	6.2
173.09569	6.2
181.12228	39.4
182.08150	5.1
182.12479	1.4
183.08467	3.9
191.10664	32.7
207.79147	1.3
209.11719	10.6
227.12773	44.1
228.13129	1.5
283.15393	100.0
284.15649	7.1
301.16458	54.9
302.16672	2.5
309.07367	1.2
336.21368	3.4
336.25397	4.5
337.07062	2.1
337.21802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.5
55.05518	10.4
57.03441	8.6
67.05498	22.9
69.07062	9.2
69.21722	11.2
70.06591	3.0
70.51597	2.3
71.04998	6.2
72.08138	2.6
79.05505	14.5
81.07044	12.8
83.04984	35.1
83.08632	6.6
85.02924	6.6
85.06553	2.7
86.09720	4.5
91.05503	8.8
93.07029	18.9
95.04982	5.4
95.08614	7.7
97.06549	8.3
99.04459	5.1
99.08124	2.8
100.11253	11.2
101.02369	4.9
103.92561	2.3
105.07028	5.6
107.08592	12.5
109.10162	18.0
111.04438	81.9
111.08070	23.8
112.02378	2.1
112.04839	2.1
114.09945	2.5
117.07037	3.1
119.08598	6.6
120.08125	7.9
121.06494	4.0
121.10155	16.7
128.10744	2.7
131.08589	6.0
135.08139	2.9
135.11700	22.0
136.06184	65.0
145.10100	18.5
147.08046	3.3
147.11739	4.8
148.06197	17.0
149.09631	7.9
153.12746	31.0
155.08571	3.3
163.11185	52.5
163.12448	4.4
173.09634	9.4
181.12247	47.6
182.12544	3.9
191.10670	44.0
204.12424	49.2
209.11784	10.5
209.16463	4.5
210.15028	3.0
227.12770	56.9
228.13106	2.6
283.15405	96.5
284.15823	5.6
301.16443	100.0
302.16882	8.1
336.16641	21.0
336.20374	3.1
336.25446	5.4
337.07175	3.4
337.24573	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	336.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38048	1.6
55.01873	20.9
55.05500	5.4
56.05012	4.5
57.03428	3.4
57.07072	2.4
58.06607	20.6
60.04543	1.8
65.03936	1.8
67.05508	11.5
68.03049	1.7
68.05029	3.2
69.03428	2.5
69.07070	24.7
70.02937	2.8
70.06591	20.6
71.04676	2.3
71.04997	20.8
71.45564	1.8
74.06082	7.6
79.05485	6.9
81.07051	16.9
82.06580	3.1
83.08616	3.7
86.06040	2.4
91.05479	36.7
93.07043	5.6
93.68073	2.2
94.06561	2.9
95.04912	2.0
95.08600	8.4
96.08125	3.7
96.92273	3.3
97.06544	19.3
97.10132	2.6
98.09705	11.1
105.07031	8.1
107.08562	3.9
108.08125	3.9
109.10114	3.5
110.09692	2.2
117.07029	6.5
119.08537	4.3
120.08103	2.7
122.06029	21.0
124.07588	28.1
128.10728	7.9
128.76898	2.0
131.07704	2.5
131.08514	13.1
134.09663	2.5
135.22948	1.7
136.07582	51.8
136.08620	2.9
140.07076	41.9
141.07455	1.8
145.10126	3.9
148.07576	4.0
153.07846	3.1
176.14369	4.6
189.59084	1.8
194.15421	6.4
204.13785	15.1
222.14896	78.5
223.15268	2.4
275.16800	2.0
288.92148	2.9
300.26855	22.4
318.20657	49.4
318.27954	17.9
319.21173	4.1
336.22543	11.1
336.25546	4.5
336.28940	100.0
336.32568	7.8
337.23505	41.1
337.29303	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	336.217
Annotation	Ankorine
Peak:m/z	Relative Intensity
55.01867	3.6
55.05508	3.4
56.05038	1.2
58.06593	1.2
67.05161	1.1
67.05508	13.5
68.05023	1.6
69.07065	1.8
69.58623	3.7
70.06578	3.5
71.04987	2.3
77.03901	1.1
79.05492	14.9
80.04990	1.8
81.03414	2.2
81.07057	8.6
82.06564	1.4
84.04520	1.3
91.05474	8.5
93.07050	8.9
94.06564	6.8
95.04960	3.6
95.08604	5.6
96.08142	9.5
97.06524	1.2
98.09682	1.0
98.23426	1.4
105.07016	3.5
106.06532	1.4
107.04961	6.7
107.08585	5.0
108.08109	1.9
109.05329	1.0
109.10190	1.8
110.25831	0.9
112.07617	2.9
117.07011	1.9
118.06552	1.3
119.08573	3.0
120.08088	8.2
121.06426	1.1
121.10137	1.6
122.06043	5.1
123.08089	1.5
128.10718	1.9
129.06963	1.2
131.08553	3.2
133.06459	1.1
133.08852	1.0
134.06039	0.9
135.11691	1.2
136.07576	22.0
138.09122	1.0
145.10121	1.2
146.09579	1.5
147.11687	1.2
148.07578	10.8
148.11174	1.0
149.08301	2.9
150.09126	2.2
162.09102	1.6
163.11203	4.2
172.11131	1.0
174.09207	2.0
192.35330	0.9
254.18970	0.9
270.91180	1.7
272.20102	2.5
276.21539	0.9
282.18582	1.5
288.92004	1.5
290.21008	2.1
300.19577	30.4
300.26810	2.0
301.20032	2.5
318.20636	100.0
319.20999	7.5
336.21793	1.4
336.25455	1.1
336.28979	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	336.2536
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
55.05509	1.2
58.20235	0.7
65.03918	1.2
67.05515	2.5
69.07069	2.1
70.06605	1.6
70.61803	1.4
79.05508	3.7
81.07057	5.7
83.08621	1.1
91.05482	43.9
92.05829	0.9
93.07051	1.8
95.08625	2.5
96.08125	1.4
96.54836	0.9
96.92229	1.1
98.06045	5.6
98.97608	1.2
105.03340	0.9
105.07061	3.6
107.04976	2.7
114.09217	3.1
115.05512	2.6
116.07130	2.6
117.07019	41.6
118.07394	2.3
121.10206	1.1
123.11684	0.8
128.10799	0.8
129.07048	1.4
131.08571	25.8
132.08932	1.3
135.11760	1.4
141.07022	1.8
143.08600	1.3
145.10187	2.6
169.10162	1.9
192.79683	0.8
202.83983	0.8
218.04594	0.8
255.38934	0.9
270.91141	1.1
288.74228	0.9
288.92123	5.0
300.23315	2.6
306.93216	1.6
318.24283	100.0
319.24637	7.7
336.25449	26.8
336.29089	4.7
337.25870	1.7
347.36270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33101	0.7
55.05505	1.5
56.05022	1.6
58.06605	12.3
67.05499	4.5
68.05026	1.7
69.07059	1.9
70.06596	2.2
71.12624	1.0
72.08158	0.8
74.06090	2.0
79.05495	3.9
79.99798	0.7
81.07055	3.9
82.06576	1.8
84.08147	4.6
86.87121	0.6
88.07578	0.7
91.05470	3.5
93.07034	2.6
95.07375	0.9
95.08611	2.2
96.08118	0.7
96.92216	1.7
97.06504	1.4
99.02962	0.7
105.07050	0.9
107.04983	0.7
108.08115	2.5
109.10143	1.2
110.09683	22.3
114.09196	0.9
121.10097	0.8
128.10719	100.0
128.60335	0.7
129.11081	0.9
131.08536	1.0
133.10068	0.9
135.11665	0.8
137.05960	4.4
150.64261	0.7
152.07088	2.4
170.17458	1.0
172.30257	0.7
274.25293	2.6
288.92252	0.8
300.26889	1.0
312.78394	0.7
318.27859	3.7
330.37460	0.7
336.22855	6.0
336.28940	67.8
337.29297	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	336.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
55.07724	0.6
56.05042	0.7
57.07067	0.8
58.06600	5.2
67.05509	2.1
68.05032	0.9
69.07064	0.8
70.06595	2.0
70.95487	1.0
73.92768	0.5
74.06089	0.9
75.17927	0.6
79.05500	1.2
80.94851	0.7
81.07059	2.3
82.06584	2.3
84.08154	2.4
88.07641	1.0
91.05484	1.2
93.07050	1.5
95.07371	1.0
95.08611	1.7
96.92236	1.2
97.06537	1.7
104.36331	0.6
107.04955	1.8
108.08105	2.1
110.09686	22.0
110.10450	1.1
128.10718	100.0
129.11057	1.7
131.08528	0.6
168.18594	0.7
230.24734	1.1
270.91263	0.7
288.92194	1.6
300.26859	0.8
306.92932	0.7
318.27783	2.5
336.22205	2.0
336.28909	55.0
337.29361	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	336.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01860	1.2
55.05511	5.7
56.05021	1.5
57.03442	4.9
58.02951	2.2
58.06605	7.4
67.05506	19.0
69.07072	6.2
69.51164	2.5
70.06584	2.7
71.04989	1.9
72.08145	3.2
72.76863	0.6
73.60927	0.6
79.05495	10.4
81.07056	12.0
83.04935	0.9
83.08594	0.8
84.08145	51.8
88.07632	1.2
89.26900	0.7
91.05479	11.5
93.07046	10.5
95.04964	1.5
95.08615	11.4
96.08137	2.0
97.06540	4.6
98.23487	1.0
99.08108	4.4
105.07041	6.5
107.08587	6.0
109.10179	3.6
110.09690	4.4
112.11231	1.8
113.09631	2.0
117.07003	2.9
119.08572	6.3
121.10120	3.0
122.09685	0.7
128.10718	26.5
129.07007	1.4
129.11040	1.0
131.08571	3.5
133.10129	5.4
135.11690	1.7
143.08591	1.3
145.10121	3.6
147.11658	1.8
154.16772	0.8
157.10143	0.7
159.11710	2.3
161.13222	0.7
173.13307	1.4
175.14842	1.4
213.16496	0.7
215.17998	1.1
274.68973	0.6
288.92126	0.8
300.26810	3.6
318.27911	25.9
319.28311	0.8
336.28955	100.0
337.29175	6.5
358.37912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06004	0.3
54.45175	0.4
55.05499	0.7
56.05037	1.6
56.95255	0.3
58.06599	2.5
67.05498	1.5
68.05030	2.2
69.07074	1.2
69.56637	1.3
70.06598	1.7
71.04978	0.7
79.05505	1.0
79.33842	0.3
81.07060	2.7
82.06580	2.7
88.07620	0.5
91.05486	2.6
93.07053	1.7
94.06560	0.5
94.15239	0.3
95.04948	0.4
95.07344	1.9
95.08605	1.4
108.08122	4.4
109.10199	0.4
110.09680	32.1
111.10049	0.8
117.07011	0.3
119.08610	0.5
128.10718	100.0
129.11072	2.0
131.08536	0.6
188.80785	0.4
199.30496	0.4
215.86462	0.4
257.00284	0.4
273.12796	0.4
288.92111	0.6
300.26993	1.0
318.27859	3.9
336.28964	60.8
337.29315	4.4
355.88898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14452	0.2
54.17565	0.2
55.05513	0.2
56.05031	0.7
58.06595	0.7
60.68957	0.2
67.05502	0.5
68.05027	0.7
69.07068	0.2
70.06594	1.5
70.39896	0.3
70.40225	0.3
71.04993	0.4
79.05515	0.5
81.07045	1.2
82.06577	1.6
91.05466	0.5
92.32967	0.2
93.07037	0.8
94.06570	0.4
95.07343	1.1
95.08622	0.5
96.78949	0.2
97.06520	0.6
108.08130	2.3
110.09679	17.9
117.28251	0.2
119.07429	0.2
128.10716	100.0
129.11043	2.3
163.49113	0.2
201.48503	0.2
217.19826	0.2
250.15210	0.2
270.13599	0.2
318.27820	0.4
336.28970	30.1
337.29245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66696	0.4
54.53898	0.5
55.05505	1.3
56.05021	1.5
57.03429	0.8
58.06605	6.3
67.05502	5.3
69.07072	1.0
70.06589	4.4
70.94985	0.6
71.04994	1.0
71.07372	0.9
72.08160	1.3
75.92997	0.4
79.05492	4.6
80.74117	0.5
81.07054	4.7
84.08147	10.1
88.07632	1.2
91.05473	3.6
93.07040	5.1
95.04980	0.5
95.08607	2.2
96.08128	1.7
98.09679	1.6
98.97636	0.5
105.07027	2.3
107.08589	2.6
109.10158	0.6
110.09666	1.7
112.11250	4.7
114.09153	1.7
117.07018	0.8
119.08585	1.9
121.10150	1.3
124.11257	0.5
128.10727	1.5
131.08530	0.9
133.10092	0.8
138.12802	0.6
140.27528	0.5
145.10110	0.5
147.11673	0.5
172.83075	0.4
178.02600	0.4
183.04037	0.5
190.67963	0.4
196.93607	0.4
270.91266	0.7
288.92178	2.1
306.93161	0.5
318.24414	1.1
318.27878	28.3
319.28168	2.1
336.28961	100.0
337.29236	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	336.949
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47062	1.7
94.93017	2.5
112.89629	5.6
136.94052	3.8
138.93810	11.0
140.93651	1.7
150.91954	5.3
156.88541	25.7
174.89594	23.7
198.87730	1.3
204.87051	1.8
208.14157	1.0
210.93925	1.0
212.85265	1.1
216.83630	0.9
216.90663	1.6
218.85959	4.4
236.87126	2.2
246.91560	1.3
247.08336	0.9
261.92926	1.1
276.92761	4.3
314.33856	1.0
318.93796	18.0
336.78281	5.2
336.94849	100.0
337.95035	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	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55655	0.7
56.26051	0.8
56.96567	3.5
57.82060	0.8
70.06582	1.4
70.18435	2.2
70.98112	2.6
72.08159	0.8
98.97589	5.6
110.97552	1.5
112.99168	1.0
116.98582	1.0
128.98595	1.7
131.00209	1.1
131.01926	0.8
142.96605	1.1
145.03494	1.1
146.99660	2.1
149.01253	1.5
157.03453	0.8
170.96034	1.6
174.99104	0.7
176.12907	1.1
184.97664	0.9
189.00801	1.3
202.98639	1.4
205.00313	0.8
207.01810	0.8
217.00229	0.8
219.01791	1.4
220.99707	0.8
223.64995	0.7
230.98116	1.6
235.00972	0.8
244.99637	1.0
248.99373	0.7
263.00815	3.0
277.02307	1.1
293.33438	0.7
295.07065	1.0
337.08945	100.0
338.09320	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
53.48847	3.4
54.65791	4.1
58.39832	3.4
64.75085	3.3
69.18845	20.5
98.22717	7.7
101.00892	9.2
113.00863	7.1
119.01906	8.1
127.02390	8.5
131.01927	10.4
145.03470	23.4
155.01921	13.2
157.03435	17.9
171.01367	6.1
173.02977	16.3
185.03059	3.6
189.02354	4.7
217.01929	41.7
229.01985	12.8
235.03040	8.4
247.02983	8.9
336.95004	5.9
337.08453	100.0
338.18289	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	337.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.7
67.03902	0.3
69.93058	0.8
70.06576	1.5
79.05511	0.5
81.07050	0.5
86.09710	3.4
87.10035	1.5
91.05500	0.4
93.07010	0.4
98.12847	0.4
98.23448	0.5
98.97552	0.5
102.41525	0.3
107.08611	0.4
114.09176	0.6
120.07287	0.7
120.08105	7.3
121.06506	0.4
121.08443	5.2
122.08786	1.2
128.10722	1.0
129.11063	0.9
180.10199	2.9
181.10530	3.6
182.10814	2.2
200.53589	0.4
230.23895	0.4
273.26364	0.6
274.26508	2.0
275.26758	0.6
314.16422	0.5
336.30069	8.2
337.16202	100.0
337.29776	1.7
338.16510	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	337.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43910	0.3
67.05484	0.6
69.07085	0.6
70.06594	0.5
72.08151	0.4
72.65209	0.3
79.05510	0.4
81.07067	0.5
89.55721	0.4
93.07066	0.4
95.08599	0.4
107.08639	0.5
107.83421	0.3
109.10207	0.4
109.87175	0.4
110.27552	0.4
114.09148	0.7
146.38025	0.3
221.14723	0.4
249.15109	0.4
277.40634	0.4
327.80359	0.4
337.16214	100.0
338.16565	6.3
338.26932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
58.06594	0.9
65.45667	0.4
67.05478	0.8
69.07071	0.6
69.84193	1.1
77.17474	0.5
80.94856	0.6
81.07029	0.5
95.08599	0.7
96.92214	1.8
98.97582	1.0
110.09673	0.7
116.98616	0.6
128.10707	1.2
151.37357	0.4
155.39433	0.5
173.05473	0.6
314.16592	0.7
337.10532	10.5
337.17480	100.0
338.10980	0.7
338.17798	7.3
338.26730	0.7
338.30597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23386	0.4
55.05511	0.5
67.05497	0.9
69.07060	0.5
70.06581	0.7
70.19430	1.0
71.57508	0.3
75.37909	0.4
81.07041	1.1
83.63846	0.4
91.05486	1.3
92.05811	0.5
93.07050	1.0
95.08598	0.7
96.92210	0.7
99.08098	0.6
105.07050	0.6
107.08559	0.9
119.08578	0.5
120.48903	0.4
128.10712	1.2
131.08618	0.6
136.68170	0.4
143.70200	0.4
152.37817	0.4
181.92448	0.4
241.84198	0.4
263.19785	0.5
301.27255	1.0
313.08603	0.5
314.16382	0.5
319.28207	0.7
320.29333	0.6
336.28879	0.5
337.23480	100.0
337.29199	3.8
338.23859	6.3
338.30545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46901	0.6
54.88126	0.6
58.06604	0.8
58.68768	0.7
61.71363	0.6
63.18239	0.6
67.05499	1.5
70.13379	1.0
70.13714	1.4
70.91359	0.5
75.81865	0.6
80.94851	1.8
81.07041	0.9
91.50577	0.6
95.08622	0.7
96.92233	4.1
98.97591	1.6
116.98661	0.8
120.03441	0.6
128.10735	2.9
160.45793	0.8
208.67145	0.6
252.14143	0.7
266.47693	0.6
303.69003	0.7
314.16281	1.1
319.22440	1.4
320.25958	0.7
337.23495	100.0
338.23819	6.6
338.30441	3.5
341.54907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.91440	0.2
51.02384	0.2
53.03939	1.2
55.01872	1.3
55.05512	30.3
56.05830	0.3
57.03438	21.0
57.07074	4.4
58.03777	0.2
59.05011	0.4
65.03938	2.4
66.04690	0.3
67.05504	68.8
68.05832	0.8
69.03430	0.5
69.07067	40.1
69.33117	0.4
69.33523	0.6
70.07401	0.7
71.04995	1.9
71.08625	2.1
73.06544	0.5
77.03913	0.4
79.05493	17.6
80.05833	0.3
81.07056	64.6
82.07394	0.8
83.04980	2.0
83.08618	18.4
85.06540	1.8
85.10205	1.0
91.05477	10.9
92.05809	0.4
93.07043	16.4
95.04970	1.7
95.08605	46.2
96.08918	1.3
96.92228	0.3
97.06535	4.0
97.10166	9.7
98.59147	0.2
98.97594	0.3
99.08092	1.5
101.06023	0.4
105.04520	0.8
105.07030	7.0
107.08593	9.4
107.09326	0.4
109.06504	1.1
109.10155	18.2
110.10497	0.6
111.08083	2.0
111.11718	2.0
113.09641	0.8
117.07042	0.4
119.08584	6.3
121.09268	0.4
121.10141	7.6
123.08091	1.1
123.11707	7.9
125.09617	1.2
125.13237	0.4
127.07570	0.4
127.11162	0.6
128.58066	0.2
133.10127	7.3
135.11700	4.2
137.09657	1.0
137.13251	2.9
139.11191	0.7
145.10085	0.3
147.11674	3.8
148.11998	0.2
149.13271	2.4
151.11154	0.6
151.14822	1.3
153.12718	0.7
157.83557	0.2
161.13249	3.2
163.14799	1.9
165.12830	0.4
165.16412	0.4
167.14325	0.3
175.14821	2.4
177.16435	0.7
179.14293	0.4
179.17967	0.2
189.16386	0.8
193.15959	0.3
203.17944	0.3
219.21150	0.3
245.22643	1.4
263.23721	3.2
337.27350	100.0
338.27679	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03941	1.3
55.01852	1.3
55.05511	28.6
56.05839	0.6
57.03439	18.2
57.07071	4.7
61.74440	0.4
64.46071	0.5
65.03938	1.6
67.05505	58.6
68.05830	0.8
69.07069	31.3
71.04981	1.3
71.08630	1.7
78.72125	0.4
78.90181	0.4
79.05036	1.0
79.05489	15.9
81.07055	57.4
82.07384	0.9
83.04980	1.5
83.08620	15.8
85.06553	1.4
89.89764	0.5
91.05476	9.4
93.07041	14.3
95.04963	1.4
95.08606	48.7
96.08935	0.5
97.06536	3.7
97.10169	8.4
98.22713	1.7
99.08094	1.8
105.04541	0.6
105.07030	8.0
107.08595	8.8
109.06552	0.7
109.10156	19.1
111.08070	1.8
111.11744	2.4
113.09624	0.5
119.08585	6.1
121.10152	6.9
123.08047	1.1
123.11710	8.2
125.09612	0.7
127.11255	0.5
133.10121	6.1
135.11684	4.5
137.09602	1.2
137.13252	2.8
139.11214	0.9
147.11650	4.9
148.12181	0.5
149.13292	2.9
151.11197	0.6
151.14832	1.2
161.13275	3.2
163.14832	1.9
163.72516	0.4
165.12711	0.7
165.16377	0.8
175.14839	2.7
177.16403	0.9
179.14297	0.6
189.16403	0.9
196.75108	0.5
245.22681	3.1
263.23688	5.5
337.27362	100.0
338.27646	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	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69219	0.3
53.03953	1.3
54.79080	0.3
55.01873	0.9
55.05513	25.6
57.03440	16.4
57.07076	4.9
58.33945	0.3
60.46956	0.3
65.03941	2.2
67.05505	56.1
67.22253	0.3
68.05859	0.6
69.03424	0.5
69.07069	29.3
70.73586	0.7
71.04992	1.2
71.08633	1.8
73.02924	0.4
79.05495	14.3
81.07056	59.7
82.07397	1.1
83.04998	1.6
83.08622	18.5
83.22974	0.3
85.06557	1.4
85.10202	0.9
91.05479	8.6
93.07046	15.0
95.04977	1.4
95.08606	50.5
96.08944	0.9
97.06533	3.7
97.10168	8.8
99.08096	1.3
105.04505	0.5
105.07033	7.2
107.07986	0.2
107.08592	9.7
109.10158	19.8
110.10497	0.8
111.08103	2.2
111.11710	1.8
111.58227	0.4
119.08579	5.4
121.10141	8.4
123.08094	0.9
123.11713	8.2
125.09647	1.4
125.13264	0.6
128.48343	0.4
131.08565	0.5
133.10127	6.0
134.10536	0.4
135.11693	4.0
137.09633	1.2
137.13245	2.8
139.11172	0.8
147.11670	3.5
149.13261	3.0
151.11185	0.9
151.14810	1.2
153.12843	0.7
161.13228	2.6
163.14816	2.9
165.16412	1.0
167.14314	0.6
175.14822	2.0
177.16360	1.1
179.14413	0.5
181.15967	0.5
189.16411	0.9
193.15807	0.6
207.17323	0.4
245.22668	4.3
263.23697	6.5
319.26489	0.6
337.27362	100.0
338.27692	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.07262	0.3
53.03949	1.3
55.01870	1.0
55.05513	26.3
56.05830	0.4
57.03439	16.9
57.07078	4.3
65.03944	2.0
67.05504	56.1
68.05830	0.8
68.43560	0.4
69.03424	0.6
69.07068	30.4
69.29186	1.6
71.05003	1.0
71.08642	2.0
77.03928	0.3
79.05492	14.7
81.07056	55.4
82.07393	0.7
83.04977	1.8
83.08618	18.4
84.08981	0.4
85.06539	1.5
85.10193	1.0
91.05485	8.9
93.06445	0.8
93.07043	14.6
95.04969	1.7
95.08605	47.1
96.08946	0.8
97.06535	3.5
97.10166	9.2
98.63203	0.4
99.08072	1.1
105.04506	0.5
105.07031	6.7
107.08598	7.8
109.06503	0.7
109.10154	19.1
110.10534	0.6
111.08083	2.2
111.11726	2.1
111.18866	0.3
112.95554	0.4
119.08581	5.3
121.10138	7.7
122.59435	0.4
123.08102	0.7
123.11697	7.4
125.09653	1.1
125.13267	0.5
127.11288	0.3
129.05504	0.4
133.10135	6.0
135.11688	3.4
137.09602	1.0
137.13257	3.0
137.62276	0.4
147.11690	3.8
149.13258	3.3
151.11177	0.7
151.14813	1.7
161.13234	3.1
163.14827	2.8
165.16486	0.5
175.14839	1.6
177.16386	1.3
181.15819	0.5
189.16360	1.4
203.17990	0.5
207.17363	0.3
225.03566	0.4
225.51703	0.4
242.85175	0.4
245.22624	3.3
252.90472	0.4
263.23688	4.9
319.26385	0.6
337.27356	100.0
338.27695	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	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.08596	0.3
53.03935	1.3
55.01870	0.6
55.05512	24.7
56.93869	0.3
57.03438	15.2
57.07077	4.8
65.03947	2.0
67.05503	51.7
68.05833	0.8
69.03442	0.4
69.07068	27.5
70.07403	0.4
70.71056	0.4
71.04991	1.4
71.08643	1.7
77.03944	0.6
79.05489	13.8
80.05829	0.3
81.07055	54.0
82.07405	1.0
83.05015	1.6
83.08618	16.1
84.11518	0.3
84.95605	0.3
85.06544	1.2
85.10210	0.8
89.96571	0.3
91.04931	0.7
91.05476	8.7
93.07045	12.9
94.07356	0.3
95.04959	1.3
95.08604	44.9
96.08932	1.2
97.06528	3.0
97.10172	9.1
97.10822	0.4
99.08089	1.6
105.07029	5.7
107.08587	8.8
109.06525	0.8
109.10155	18.2
110.10519	0.4
111.08076	2.1
111.11732	2.1
113.09667	0.6
119.08574	5.6
120.52732	0.3
120.57604	0.3
121.10139	7.2
123.08074	0.8
123.10866	0.6
123.11700	6.5
123.12531	0.5
125.09621	1.6
125.13292	0.3
133.10123	6.0
135.11679	3.2
137.09636	0.9
137.13261	3.1
139.11206	0.8
147.11673	3.8
149.13222	2.7
151.11153	0.6
151.14882	1.5
153.12769	0.5
161.13255	3.7
163.14819	2.6
165.12704	0.5
165.16399	0.6
167.14241	0.4
175.14856	2.2
177.16391	0.9
179.17952	0.3
189.16353	0.9
193.15999	0.4
197.30167	0.4
245.22656	3.4
263.23691	5.6
314.88370	0.3
337.27353	100.0
338.27707	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	1.7
55.01872	1.0
55.05512	30.2
55.45403	0.4
56.05856	0.4
57.03439	17.7
57.07077	5.1
58.07414	0.3
63.58136	0.4
65.03943	2.4
65.20369	0.3
65.46877	0.4
65.49370	0.3
66.01525	0.4
67.05505	62.1
68.05833	0.9
68.15656	0.4
69.07068	35.6
71.04990	1.6
71.08646	2.0
79.05495	17.2
79.05881	0.3
80.05804	0.4
81.07057	62.0
82.07360	0.8
83.04982	1.8
83.08622	19.9
85.06522	1.8
85.10181	1.0
88.02221	0.4
89.06059	0.8
91.05478	10.0
93.07048	15.4
95.04959	1.4
95.08605	48.6
96.08942	1.1
97.06538	4.2
97.10168	9.6
98.23499	0.8
99.08094	1.6
99.63880	0.4
101.06020	0.6
104.99274	0.6
105.04543	0.6
105.07034	7.7
107.08597	7.6
109.06516	0.7
109.10157	18.3
110.10512	0.7
111.08084	2.0
111.11710	2.0
113.09654	0.4
119.08582	6.4
120.09071	0.4
121.10142	7.9
122.07758	0.4
123.08094	0.9
123.11708	7.7
124.12090	0.5
125.09643	1.0
129.05482	0.4
133.10127	6.1
135.11682	4.8
137.09616	0.7
137.13254	2.5
138.89139	0.4
139.11174	0.4
145.10112	0.4
147.11703	3.5
149.13260	2.8
151.09688	0.7
151.11153	0.6
151.14783	1.7
153.12752	0.9
155.81512	0.3
161.13272	3.2
163.14842	2.8
165.12784	0.5
175.13467	0.4
175.14836	2.0
177.16431	0.6
179.14375	0.4
179.17996	0.4
189.16344	0.9
193.15944	0.5
203.43355	0.4
222.14856	0.4
245.22638	2.9
262.91953	0.4
263.23691	4.3
264.23972	0.4
319.26285	0.7
337.27365	100.0
338.27707	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	338.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48724	7.0
55.89320	7.1
56.05053	8.5
56.96571	9.6
60.04515	7.7
60.05653	25.4
66.19064	8.1
69.07072	27.6
70.06593	100.0
71.01196	14.1
71.05009	8.6
72.08157	18.6
84.08144	44.3
85.02927	10.8
86.09718	15.9
91.05478	13.9
95.08659	8.7
98.97578	68.1
110.07182	8.0
110.97628	12.0
112.08749	18.8
116.98621	24.9
119.04978	10.7
120.08124	30.6
121.08385	10.7
129.10226	12.4
130.09676	7.7
134.99660	8.5
136.06303	6.0
136.06639	9.2
136.07553	65.1
140.07053	13.4
141.05461	10.4
158.08118	11.5
158.09280	12.4
158.99675	26.8
159.06544	13.8
163.86810	7.7
172.91595	9.6
175.11940	25.1
176.07101	9.6
177.00757	19.6
177.10222	9.1
189.00708	16.4
189.15317	7.5
212.02312	8.9
212.12617	7.7
213.13747	8.3
219.01776	9.3
222.04631	10.5
271.55334	7.9
272.04858	7.7
274.97586	33.8
279.03964	15.2
290.55487	7.8
292.98480	21.9
335.35986	8.5
338.06406	86.7
338.10385	15.2
338.18219	73.2
339.16327	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	338.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
56.05029	1.6
57.03435	1.1
57.07081	0.7
58.06601	17.2
67.05503	4.2
69.07076	2.4
69.61147	1.6
70.06588	1.2
72.08156	2.4
79.05495	2.3
81.07054	3.9
83.08619	0.7
84.08147	3.8
87.06815	0.4
88.07623	1.3
91.05479	1.9
93.07050	2.3
95.04958	0.5
95.08626	2.3
96.08115	1.4
98.09674	0.4
98.97582	4.4
105.07024	1.6
107.08581	0.9
108.08113	1.5
109.10149	0.6
110.09680	1.0
112.07635	0.4
116.98660	1.8
119.08574	1.2
121.10149	1.6
122.09618	0.6
128.10725	1.2
133.10139	1.3
134.99695	0.6
136.11218	0.6
147.11729	1.0
154.12308	0.4
155.26283	0.4
162.44762	0.4
172.94432	0.4
175.11198	0.6
180.97946	0.6
247.64334	0.4
256.96619	0.5
274.97519	5.4
283.16904	4.4
292.98685	2.5
297.99026	0.7
302.28400	3.5
320.29483	16.9
321.29843	1.4
338.30524	100.0
338.96625	0.7
339.23334	0.6
339.30847	7.5
347.32034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08159	0.6
52.81334	0.6
56.96562	1.0
58.53213	0.7
60.05638	0.7
63.37917	0.6
68.84715	0.6
69.07066	2.6
69.67006	2.0
70.06586	1.8
72.08148	2.9
83.04978	6.8
84.04487	0.7
84.08138	1.1
85.02899	0.8
86.09711	1.2
91.06234	0.6
95.08572	1.0
97.06535	6.0
98.97575	7.3
98.98067	0.7
110.07129	3.6
116.68212	0.8
116.98623	3.6
120.08110	1.9
121.08447	1.0
125.05998	14.1
134.99667	2.0
136.07565	1.0
143.07028	21.2
176.19093	0.6
177.05237	1.0
177.06642	0.8
178.08795	0.6
180.97810	1.3
185.04254	0.8
198.98885	0.9
209.10332	0.9
210.14731	0.8
226.08002	1.2
256.96439	1.4
274.97537	9.7
279.03842	1.3
292.98526	4.2
339.10498	100.0
339.16263	12.7
340.10696	5.9
340.14560	1.3
340.19824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1909
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05483	0.5
56.96558	0.4
57.03433	0.5
57.07084	0.3
67.05510	0.8
67.17404	0.3
69.07050	0.3
69.76856	0.5
69.77239	0.5
81.07056	0.8
83.08617	0.3
95.08602	0.8
98.91966	0.3
98.97588	2.9
116.98625	1.9
134.99615	0.6
155.67564	0.3
177.12617	0.3
198.98785	0.3
232.41013	0.4
256.96490	0.7
274.97528	4.5
292.98596	1.9
297.99118	0.5
338.34396	0.3
339.19080	100.0
340.19406	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	339.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
55.24202	0.3
56.96558	0.6
63.19710	0.3
67.05495	0.9
69.07037	0.3
69.75911	1.1
74.57069	0.3
80.94862	0.3
81.07066	0.8
83.08598	0.6
93.07072	0.5
95.08618	0.5
96.08945	0.4
98.22811	0.5
98.97590	4.7
116.98599	2.4
134.99677	0.8
141.16345	0.3
149.56534	0.3
158.01195	0.5
198.98932	0.4
222.00647	0.4
256.96503	1.2
274.97507	4.6
292.98575	3.3
297.99207	1.0
300.40030	0.4
316.00098	0.5
338.33981	0.6
339.19061	100.0
340.19467	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	339.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91179	0.6
56.96568	1.8
58.06611	0.9
62.98256	9.6
67.05505	1.0
70.06596	1.4
70.62386	0.7
80.94859	0.8
84.04021	1.0
84.04501	12.5
98.91968	1.3
98.96982	1.2
98.97587	15.7
103.98473	1.3
109.10126	0.9
114.20746	0.7
116.98601	10.0
116.99290	1.2
128.10756	1.4
134.99663	2.8
140.00218	0.9
140.14366	1.9
145.02417	0.9
160.28400	0.6
168.13808	2.2
172.94337	0.8
180.97826	1.6
186.14922	1.9
198.98936	2.5
203.24599	0.6
222.31047	0.8
227.10228	0.7
232.96480	1.3
250.97484	1.0
256.96524	3.6
269.11267	4.5
274.97519	21.8
292.98557	10.5
293.98770	0.8
297.99048	3.1
316.00162	1.3
317.19693	1.0
321.18048	9.1
335.20535	0.9
338.96683	2.6
339.19061	100.0
340.19449	7.1
340.32043	0.9
356.97736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05259	2.2
55.05513	30.1
57.03434	11.7
57.06825	1.8
57.07079	13.7
57.07342	2.3
60.08149	1.3
62.95063	1.3
67.05505	20.4
69.06715	2.5
69.07068	37.7
71.05001	1.7
71.08627	5.1
79.05503	8.1
81.07062	23.1
83.08619	21.7
85.06513	1.9
85.10167	3.1
91.05476	2.7
93.07045	11.2
95.08609	24.8
97.06525	2.8
97.10172	12.5
107.08617	6.5
109.10178	10.3
111.08103	2.3
111.11702	3.5
121.10142	11.4
123.11720	3.8
133.10033	1.5
135.11685	5.5
139.11122	1.2
149.13264	3.1
151.14891	1.3
163.14894	1.4
182.13144	1.4
189.31076	1.3
201.90607	1.1
247.24194	1.7
265.25357	2.2
339.28943	100.0
340.29340	6.1
340.39328	13.4
360.81186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17034	0.6
52.56331	0.7
53.03936	1.6
55.01874	1.6
55.05514	6.9
57.03419	0.7
57.07069	1.6
57.33189	0.6
58.07417	0.8
65.03925	0.6
67.05499	4.6
69.07062	3.1
70.07408	0.9
70.11078	1.1
70.11407	1.2
73.06530	1.1
77.03927	2.1
79.05504	5.2
80.94837	0.9
81.07069	4.0
83.04969	0.7
83.08627	1.7
87.04473	1.1
88.11246	0.9
91.05483	13.4
92.05844	0.8
93.07038	2.2
95.04950	5.0
95.08616	5.3
96.08134	8.8
96.08791	0.9
97.10190	2.7
98.10521	0.8
105.03394	100.0
105.04533	2.5
105.07009	2.2
105.78086	0.7
106.03704	3.1
107.05009	0.8
107.08582	4.5
109.10107	0.9
115.05447	0.6
117.07018	11.5
121.10128	1.7
122.06030	41.7
123.06359	1.4
123.11737	1.0
129.07007	3.8
131.08574	5.0
133.06477	3.7
141.06990	1.4
143.08568	5.3
145.06464	1.1
145.10123	3.0
147.08115	1.0
149.09633	2.3
157.10165	1.3
167.08595	1.0
167.10722	1.3
181.10155	1.3
199.14809	1.6
209.13280	12.3
217.15891	3.3
227.14284	9.6
245.15428	2.2
263.16415	7.9
263.18784	1.0
285.27856	0.7
322.27979	1.1
340.22675	19.9
340.29395	3.4
340.35757	2.1
340.39465	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	340.2274
Annotation	Spiradine D
Peak:m/z	Relative Intensity
55.05507	0.5
56.05043	0.2
57.60308	0.2
67.05489	0.7
69.07062	0.3
69.93187	0.6
79.05483	0.3
81.07075	0.4
84.08142	0.3
91.05461	0.4
93.07055	0.5
95.04988	0.5
95.07401	0.2
95.08620	0.5
96.08152	0.3
98.09717	0.4
98.97594	0.9
99.97934	0.3
105.03396	1.2
108.08111	1.9
109.08909	4.9
110.01007	0.2
112.59043	0.2
117.06999	0.5
122.06049	0.9
123.06827	1.2
124.07569	0.3
134.99628	0.3
136.07571	1.5
137.08362	22.1
138.08755	0.6
142.12323	0.2
150.09152	6.0
151.09932	1.1
164.10773	0.9
192.13898	0.4
206.15327	0.3
220.16928	1.1
240.97154	0.2
274.97443	0.3
275.97772	0.6
308.20328	0.3
312.23166	0.3
322.31174	0.2
340.22717	100.0
340.28290	2.8
341.23056	8.6
341.29068	0.3
341.43936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2484
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
51.02390	0.4
54.90205	0.3
55.01870	0.7
55.05507	1.0
56.05032	0.7
57.02621	0.3
57.03437	7.8
58.06609	0.6
66.14144	0.3
67.05503	3.9
69.03415	1.0
69.07064	3.1
70.06578	0.5
70.61213	0.3
70.61530	0.3
71.04987	0.9
72.04499	0.6
72.07790	0.4
72.08155	4.9
77.03916	0.4
79.05493	6.6
81.03416	0.7
81.07056	3.6
83.04967	1.1
84.08130	1.0
85.08916	0.8
86.09705	0.9
87.04488	0.8
88.12241	0.3
91.05482	7.0
93.07046	5.7
95.04961	1.6
95.08604	3.8
96.08085	0.4
97.06515	2.6
98.09695	13.3
99.08101	2.2
102.09185	0.8
105.07030	5.8
107.04938	1.0
107.08562	1.8
109.06528	0.7
109.10162	0.5
110.07136	0.9
110.09686	0.3
112.11226	0.3
113.09612	1.2
115.07446	0.4
117.07015	2.3
119.08572	5.3
121.06529	1.2
121.10159	0.7
122.09624	0.4
122.56046	0.4
123.08059	0.5
124.11250	0.3
125.09669	0.4
128.06227	0.4
129.06982	1.6
131.08566	1.4
133.06519	0.3
133.10147	0.8
135.11688	0.5
137.09634	0.5
142.12270	5.8
143.08568	1.1
145.10126	2.4
147.08012	1.9
155.08554	0.4
157.10178	0.5
158.15442	0.3
159.11707	1.5
161.09653	0.3
163.11182	0.4
165.09114	0.4
169.10106	0.8
171.11829	0.4
171.93362	0.3
187.11258	0.4
267.63553	0.4
278.24808	0.5
296.25940	1.1
322.23767	5.6
340.24820	100.0
341.15665	0.6
341.25122	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	340.2848
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
50.67970	0.3
55.05514	2.4
56.05033	0.5
57.03442	0.4
57.40496	0.4
58.06599	0.9
65.03936	0.9
67.05505	5.7
69.07066	1.3
70.06593	0.9
71.04984	0.5
72.08163	3.1
79.05479	1.6
81.07056	4.0
83.04977	0.8
83.08607	1.2
84.08134	1.7
85.02900	0.4
85.08913	0.8
86.09719	0.4
91.05470	0.8
93.07055	2.6
94.96758	0.3
95.04970	100.0
95.08600	2.3
96.05306	2.9
96.08141	1.0
97.02878	0.4
97.06528	1.0
98.09695	4.1
98.97607	0.4
99.08112	0.4
101.03911	0.6
102.09183	10.1
105.07033	0.4
107.08605	0.9
109.06509	0.9
109.10139	0.7
110.09702	0.4
114.09196	0.8
115.05453	1.1
119.08612	0.6
119.86562	0.3
121.10147	1.1
122.09659	3.3
123.10456	1.1
128.06186	0.5
131.08606	0.4
136.11226	0.6
140.10686	1.8
141.07034	0.4
142.12303	0.7
149.13269	1.1
153.07027	0.6
156.13837	0.6
165.06999	0.4
172.13338	0.8
259.20569	0.4
277.21585	3.0
280.20584	0.5
304.26328	4.5
305.26816	0.4
322.27399	29.1
323.27725	2.2
340.22757	4.8
340.28476	49.1
341.28833	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	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01888	2.0
55.05514	22.6
55.10102	1.9
56.05028	5.8
57.03425	8.2
57.07066	5.2
58.02960	4.3
58.06602	16.8
60.04251	2.5
60.04531	37.3
65.03948	2.2
67.05163	3.6
67.05509	56.8
69.07069	32.4
69.89649	6.5
70.06591	5.7
71.04980	2.2
71.08635	2.1
72.08166	11.0
79.05494	28.7
81.07062	62.8
82.06528	2.5
83.08607	10.1
84.08147	65.9
85.06525	3.5
86.01744	1.9
86.06079	19.8
91.05472	9.0
93.07044	32.2
95.04961	4.2
95.08611	72.0
96.08109	4.2
97.06532	23.3
97.10159	5.7
98.09686	3.4
98.22759	2.6
98.97499	2.4
99.08104	4.7
105.07008	9.0
107.08592	21.9
109.10156	20.6
110.09685	10.8
111.08109	2.3
112.07621	8.4
114.09195	3.0
115.07561	6.3
119.08569	3.9
121.10162	21.0
123.11716	4.8
128.10716	40.5
133.10133	4.3
135.11699	12.3
149.13261	8.4
156.10210	95.5
157.10519	2.3
163.14815	2.1
172.17122	2.1
175.14792	2.5
177.16341	2.8
177.82796	2.2
195.17395	2.6
245.22586	6.7
263.23737	2.3
275.97925	2.6
276.26846	12.2
294.27927	100.0
295.28220	9.3
304.26343	12.2
312.25616	3.9
312.28989	44.2
313.29221	3.7
322.27414	97.0
322.31195	4.7
323.27838	10.6
340.28375	38.4
340.32156	18.7
340.39172	3.9
341.20612	8.7
341.28821	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	340.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06229	0.4
55.05515	1.8
56.05026	0.7
57.03425	0.9
57.07077	10.9
64.52020	0.3
67.05502	3.6
69.07073	3.1
69.62437	0.8
69.62797	0.7
70.06595	1.3
71.04987	0.8
71.08636	6.1
72.08160	2.5
74.65278	0.4
79.05501	1.4
81.07056	5.0
82.06592	1.9
83.04971	0.6
83.08614	1.7
84.08148	1.3
86.09702	0.9
91.05473	0.7
93.07042	1.1
95.04949	0.6
95.07345	0.7
95.08604	7.5
97.06537	3.7
97.10180	1.3
98.09691	8.9
98.22697	0.8
98.97582	0.8
99.08105	0.9
105.07026	0.6
107.04945	3.3
108.08122	1.1
109.10136	3.9
110.09676	15.0
117.07027	0.4
119.81397	0.4
123.11680	0.7
124.11229	0.5
128.10715	79.4
129.11053	2.0
135.08078	0.5
142.12268	9.6
163.07524	3.2
178.09863	1.5
183.17448	2.5
203.10687	1.2
205.29779	0.4
275.97784	0.5
277.25092	0.4
289.44049	0.4
304.23621	0.5
322.24600	1.2
322.30878	1.8
340.32092	100.0
341.21198	0.6
341.28601	0.8
341.32419	6.8
353.23087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.4
70.09538	1.7
98.23418	0.7
98.97583	85.3
99.97907	1.1
102.82240	0.5
114.95548	0.8
116.98620	37.9
131.73640	0.6
132.96588	1.1
134.99660	8.3
156.96622	2.7
157.08214	0.9
174.51131	0.6
174.97658	18.1
175.97784	0.8
177.00912	1.1
187.41617	0.7
190.95659	1.6
192.98714	11.1
196.94502	0.9
198.97595	4.8
208.96698	1.1
214.95633	10.2
215.95781	0.7
216.98705	52.7
217.98842	2.2
219.01981	4.0
220.02171	0.7
221.01985	0.8
232.96683	16.6
233.96899	1.4
234.99762	59.6
235.99886	3.9
238.95650	1.8
239.96133	0.8
240.98755	0.9
243.02243	0.8
250.97768	8.4
251.97913	0.9
253.00897	0.8
256.96689	24.2
257.96832	2.8
258.01373	0.8
258.99762	19.6
260.00031	1.7
260.99838	0.6
261.03030	1.7
262.03262	0.9
263.02905	3.8
274.97739	40.0
275.97879	4.6
276.98196	0.8
277.00830	20.8
278.00839	1.1
280.96469	3.0
282.99948	1.2
284.99838	0.7
289.96552	0.9
292.98749	5.5
298.97745	80.2
299.97870	8.6
301.01047	1.4
316.98810	100.0
317.98962	11.8
318.07053	1.5
318.99115	0.6
334.99786	2.5
340.00433	1.9
340.98795	34.7
341.98880	3.5
358.99860	64.4
360.00024	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	341.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87459	33.0
73.04757	78.4
90.95169	39.6
91.05790	100.0
98.97597	76.5
110.07145	70.4
201.69885	35.2
258.99796	46.6
341.06570	63.3
359.03183	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03928	0.2
55.01864	0.2
57.03434	0.2
57.56587	0.1
61.02921	0.2
66.90328	0.1
69.03421	0.4
69.85534	0.3
70.06577	0.7
72.08156	0.5
73.02919	0.2
73.04758	0.2
77.03937	0.5
78.57122	0.1
79.05489	0.2
81.03456	0.2
83.06107	0.5
84.04486	0.2
84.08138	0.6
85.02908	1.4
86.09689	0.5
89.03944	1.1
95.04958	0.5
96.08121	0.2
97.02884	0.6
98.23418	0.2
100.19777	0.2
105.03396	1.4
107.04949	0.6
110.07169	0.4
114.09185	0.4
116.07075	0.2
117.03370	0.8
123.04439	3.4
127.03901	0.4
133.02859	11.6
134.03201	0.3
135.04416	3.0
139.05032	0.2
145.03961	0.3
145.04961	0.2
151.03935	0.8
161.02362	0.9
167.11772	0.2
179.03397	100.0
180.03734	3.6
195.11349	0.4
196.14436	0.7
224.13977	0.2
297.78339	0.1
323.16028	0.2
341.06516	0.2
341.12213	1.0
341.16901	0.2
341.21487	0.5
342.22449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
52.31483	0.2
53.44498	0.2
61.02932	0.2
69.03430	0.4
69.20903	1.6
70.06584	0.7
85.02905	0.8
89.03932	0.5
97.02911	0.5
101.83997	0.2
105.03431	0.5
117.03409	0.4
123.04440	11.0
124.04768	0.3
126.54976	0.2
133.02861	9.5
133.03871	0.5
135.04414	1.7
145.04959	0.3
145.56595	0.2
151.03920	3.6
160.09973	0.3
162.08368	0.3
179.03397	100.0
180.03761	3.4
189.10262	1.1
225.24791	0.2
256.40570	0.2
272.39532	0.3
323.16083	1.0
341.08505	0.4
341.12698	0.5
341.17062	1.6
346.53882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1574
Annotation	His Gln Gly
Peak:m/z	Relative Intensity
50.15652	0.2
52.08014	0.1
52.18571	0.1
53.50749	0.1
55.05511	0.4
56.05028	0.2
56.99743	0.1
57.03430	0.3
58.06596	0.5
58.71404	0.1
59.02028	0.1
59.53655	0.1
67.05504	0.7
69.07060	0.5
69.24803	0.7
70.06582	0.5
72.08148	0.4
77.89220	0.1
79.05482	0.4
80.05014	0.4
81.07059	0.7
82.06593	0.9
83.04987	0.2
83.08623	0.3
84.08142	0.4
85.02896	0.6
85.06547	0.2
86.09696	0.4
91.05502	0.5
93.07040	0.6
93.29398	0.1
94.06553	0.4
95.04974	0.3
95.08606	0.6
96.08147	0.3
97.10195	0.2
98.06010	0.1
98.09699	0.5
98.23441	0.3
99.04430	0.3
100.11218	0.2
103.03944	0.6
105.07032	0.6
107.08590	0.4
108.08131	0.5
109.10166	0.2
110.07141	0.2
110.09673	0.4
111.96970	0.1
114.09126	0.2
117.06998	0.2
119.08576	0.3
120.08082	0.8
121.10134	0.2
122.09663	0.2
127.03901	0.6
128.10718	1.8
131.08607	0.2
133.10078	0.2
137.05966	0.2
142.12260	0.2
144.10185	0.2
145.04961	0.4
161.05988	0.5
163.06000	0.5
179.10564	0.2
202.07628	0.2
205.04988	0.2
206.15459	0.3
224.16441	0.5
232.16943	0.7
249.19646	0.5
277.22693	0.2
278.30304	0.1
291.09970	0.2
298.20126	2.8
307.10312	0.2
309.11166	0.6
323.23767	0.2
324.21802	0.2
324.25217	0.2
340.28226	0.2
341.15701	100.0
341.24466	6.3
342.16068	6.1
342.26306	2.4
342.30191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1572
Annotation	His Gln Gly
Peak:m/z	Relative Intensity
55.05505	0.8
56.05879	0.4
58.06584	0.5
63.71394	0.4
66.37685	0.5
67.05495	0.7
69.07066	0.5
69.56868	1.1
70.06590	6.1
71.04986	0.5
72.08160	1.2
79.05483	1.0
81.07047	1.8
82.06577	0.6
83.04979	0.5
83.08629	0.5
84.04511	0.4
84.08150	0.5
85.02895	0.9
85.06535	0.5
86.09697	2.3
91.05463	0.7
93.07051	0.5
95.08594	1.2
97.06594	0.4
98.23466	0.9
99.04462	0.4
105.07022	0.9
107.08550	0.5
109.10117	0.5
110.05997	0.6
110.09689	0.7
117.07012	0.4
118.52055	0.4
120.35913	0.4
121.06522	0.6
121.10172	0.5
126.09219	0.5
127.03939	0.6
128.10709	2.7
131.08463	0.5
135.11690	0.5
136.07494	0.4
154.08650	1.3
169.13354	2.0
170.11670	0.6
172.09680	0.5
173.10049	0.7
176.67436	0.4
188.03415	1.4
194.90591	0.4
197.12883	1.6
213.16797	1.0
267.10782	1.0
285.11865	1.2
319.88083	0.5
323.14557	0.7
324.25150	0.8
340.28430	0.6
341.15701	100.0
342.15976	6.0
342.26547	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	341.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18539	0.3
59.20812	0.3
62.98258	14.3
69.17005	0.8
69.17412	1.4
72.45365	0.3
98.23495	0.7
129.12573	0.3
212.31450	0.3
301.20084	0.6
319.21225	1.3
323.19537	9.5
324.19867	0.4
337.22141	1.5
341.20615	100.0
342.20877	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95072	1.7
53.00311	2.9
53.03949	4.0
55.01870	15.6
55.05511	18.6
57.03422	3.4
57.07071	5.1
59.14696	1.8
63.62398	1.6
67.05502	22.0
69.07072	9.6
69.27628	9.3
70.01413	2.0
70.06591	2.7
71.04987	4.8
71.08636	15.5
73.18374	1.8
79.05485	15.4
81.03416	5.4
81.07051	21.2
83.04981	12.6
83.08614	12.7
84.20822	1.5
85.02903	79.3
85.06539	14.2
87.04410	1.7
91.05482	7.6
93.07042	18.5
95.04921	8.7
95.08604	12.3
97.06522	5.0
97.10163	10.6
99.08085	10.2
104.21078	1.7
105.07052	9.2
107.04948	12.0
107.08591	11.2
109.02920	1.6
109.06515	4.1
109.10165	5.3
111.04456	5.5
111.08108	8.4
117.07036	3.0
119.08582	8.1
121.06523	4.6
121.10149	12.0
123.04445	7.5
123.08095	3.0
123.11687	1.9
125.05973	4.5
125.09637	6.9
133.06479	2.1
133.10124	4.3
135.08046	1.8
135.11714	7.4
135.18442	2.1
137.06010	3.3
137.09590	4.4
143.34975	2.0
145.10123	5.9
147.11696	2.2
151.07571	2.6
151.11208	2.6
153.12714	14.9
161.09622	4.2
163.11221	11.3
175.11217	1.9
179.10710	8.3
181.12230	31.5
189.11229	8.2
193.12244	44.1
195.10146	3.1
209.11829	1.9
221.11761	2.1
235.13216	3.2
263.20029	5.5
265.17938	2.3
273.18408	2.7
276.97168	1.8
291.19537	100.0
292.19916	4.9
295.22656	2.2
305.21191	2.2
309.20557	6.1
323.22150	60.8
323.25519	3.0
324.22543	1.9
340.35825	2.8
341.20337	10.9
341.35919	4.0
342.37360	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12840	3.6
55.05517	18.9
57.07061	6.5
58.45287	3.0
59.04990	5.7
62.10780	3.3
64.11726	3.6
67.05496	24.9
67.40635	3.4
69.07066	24.1
71.04984	21.1
79.05495	22.8
81.07056	100.0
83.08614	11.1
85.06551	5.2
86.06055	4.4
89.49300	4.2
91.05490	17.4
93.07041	71.0
95.04973	10.6
95.08607	75.7
97.10160	13.5
105.04473	3.9
105.07027	34.5
107.08587	57.5
109.06508	10.0
109.10143	36.0
110.02830	4.8
111.08043	19.0
111.11669	5.2
117.07030	5.2
119.07748	6.0
119.08584	97.6
121.10137	55.9
123.11685	16.5
131.08545	15.9
133.10127	25.9
135.11710	32.7
137.13269	6.1
143.08606	5.4
145.10162	25.2
147.11688	22.4
149.13257	45.8
157.10121	13.2
159.11679	41.4
161.13231	25.9
163.14833	33.8
171.11661	11.6
173.13277	25.8
175.14841	10.0
177.12708	4.2
187.14784	19.4
189.16394	15.3
191.17975	31.8
199.14783	7.5
201.16310	12.4
211.14758	7.1
213.16353	13.9
215.17972	12.8
225.16336	4.7
226.16768	3.9
227.17857	12.4
229.19460	4.9
238.32076	4.2
249.92166	4.2
257.22620	4.0
267.20987	6.8
283.24191	49.8
284.24640	5.6
323.27319	43.9
341.20499	12.9
341.28024	48.0
342.37317	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	341.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31857	2.3
55.05263	3.1
55.05516	42.9
57.06815	4.2
57.07074	54.0
67.05505	17.9
69.07068	100.0
69.10450	5.6
69.10848	15.1
71.08628	37.7
79.05485	7.2
81.07060	52.1
83.08619	67.0
83.54821	2.5
85.06544	5.7
85.10192	20.7
91.05476	3.8
93.07041	14.1
95.08601	50.6
97.06525	11.7
97.10167	47.7
98.10502	3.6
98.22617	3.9
99.08063	2.5
105.07005	13.4
107.08595	17.9
109.06544	3.1
109.10155	23.5
111.08069	7.0
111.11710	32.5
115.07558	7.3
117.99560	2.2
119.08576	9.3
119.67353	2.4
119.77281	2.1
121.10141	12.8
123.08047	4.3
123.11681	14.2
125.09619	3.4
125.13253	9.8
127.07551	4.0
129.09125	7.1
133.10089	12.1
135.11679	10.6
137.09616	5.0
137.13278	6.7
139.11153	3.2
139.14813	5.1
141.09094	4.2
141.72610	2.4
143.10637	3.5
147.11726	11.0
149.13275	6.8
151.11185	6.9
151.14787	4.2
153.12730	6.0
155.10666	4.5
161.13240	14.2
163.14827	3.7
165.12733	14.8
167.14343	5.8
169.12222	4.9
171.13791	3.6
174.18605	3.0
175.14818	6.6
177.16292	2.9
179.14301	13.6
181.15834	5.3
183.13782	7.2
189.16389	4.5
193.15810	8.0
197.15385	6.1
203.17973	2.3
205.19542	3.0
207.17395	3.9
211.17039	2.8
217.19591	3.3
231.24051	2.6
235.20605	3.1
241.21548	2.4
263.27371	4.3
287.27310	8.4
305.28510	11.3
323.29602	3.1
341.20538	3.8
341.26654	25.3
342.37271	36.6
349.09839	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	342.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
53.48223	1.4
55.05511	2.9
57.03423	3.5
61.02938	3.7
66.75468	1.3
67.05496	3.6
69.03435	16.3
69.07063	4.2
69.51057	1.5
70.06588	6.5
71.04992	6.1
72.08162	3.4
73.02908	1.9
73.16520	1.2
75.94554	1.4
75.99718	1.4
79.05509	2.9
81.03419	15.1
81.07050	5.6
84.08164	4.1
84.71391	1.5
85.02906	77.6
85.06550	1.6
86.09710	3.2
88.07672	1.3
91.05486	2.1
93.07027	3.8
95.04979	4.0
95.08606	5.8
97.02893	20.2
97.06543	2.0
98.09686	2.5
98.32324	1.5
98.97609	1.3
99.04462	37.7
103.03943	100.0
104.04287	1.9
105.07059	2.6
107.08627	2.6
109.02876	14.4
109.10129	2.0
110.09734	4.1
114.09132	1.5
121.10162	2.0
127.03912	99.8
128.10718	26.9
129.45508	1.3
144.10184	2.0
145.04962	69.3
146.05396	1.5
163.06018	58.1
163.11156	2.0
187.06058	3.1
205.07059	6.1
207.13655	1.5
253.07234	2.0
271.08209	6.8
282.21146	1.6
286.46173	1.6
289.09204	6.3
307.10233	14.3
324.25333	5.0
342.26309	31.3
342.30096	20.4
343.17056	6.9
343.26581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05514	7.1
55.62945	0.6
57.03426	1.6
57.06817	0.9
57.07077	12.3
57.13746	0.9
58.06598	1.9
61.02918	2.2
69.03428	3.7
69.07061	0.7
69.70211	2.1
70.06593	47.5
71.04991	0.7
72.08164	0.7
73.02908	0.8
73.10876	0.6
81.03415	2.0
81.07037	0.8
82.09830	0.7
83.08622	3.6
84.08158	1.2
85.02905	14.9
86.09708	8.2
87.04420	1.0
89.06034	31.3
93.07080	0.7
96.08116	0.6
97.02876	3.2
98.09713	0.9
99.08066	0.6
101.09659	13.5
107.07068	31.4
109.02898	1.1
110.09700	1.3
114.09167	1.2
127.03919	3.6
128.10732	3.8
132.10178	1.0
142.12251	0.7
144.10182	0.9
145.04971	2.1
150.71126	0.6
163.13295	100.0
164.13649	3.1
183.14923	12.0
203.90735	0.7
211.14394	8.7
229.15546	3.9
245.18665	1.7
247.76091	0.7
324.25433	1.6
342.15952	1.9
342.22714	5.5
342.26425	5.1
343.13089	1.3
343.17191	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	342.2429
Annotation	Daphnilactone B
Peak:m/z	Relative Intensity
57.03421	8.4
67.05476	4.0
69.64348	8.5
72.08140	8.7
79.05470	3.2
80.94820	3.5
81.07063	4.3
88.85482	2.0
91.01891	1.9
91.05458	8.1
95.08604	3.5
97.06528	2.9
98.09698	17.8
98.97587	12.2
99.08067	2.5
104.10676	2.0
105.03462	2.0
113.09586	2.5
115.05477	9.5
116.98681	4.6
128.06224	6.0
129.06972	4.0
130.04350	1.8
134.99611	3.1
141.06960	6.8
142.07771	2.6
142.12292	4.8
155.66754	2.1
165.06995	6.0
167.08589	3.2
178.07806	4.3
179.08522	2.6
191.08519	4.2
220.87109	2.9
241.13434	2.0
274.97482	3.0
278.96805	3.1
295.95969	4.5
310.64450	2.1
318.92752	4.9
342.24246	100.0
342.29971	8.1
343.24487	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	342.243
Annotation	Spirafine II
Peak:m/z	Relative Intensity
51.02374	0.3
53.03943	0.7
55.01867	1.3
55.05510	4.7
56.05030	2.1
57.03439	11.6
57.03715	0.4
57.07074	0.5
58.06590	1.5
58.38902	0.3
59.88221	0.3
63.02379	0.6
65.03944	0.8
66.08696	0.3
66.13351	0.4
67.01858	1.5
67.05508	8.0
69.07069	6.1
70.06585	1.1
70.72440	0.6
71.04990	1.7
72.04512	1.0
72.08157	8.8
73.06560	0.4
75.04497	0.3
76.33204	0.4
77.03929	1.5
79.05496	6.1
81.07056	9.4
83.04983	1.9
83.08614	1.5
84.08131	1.4
85.06525	2.2
85.08924	1.5
86.09716	0.6
91.01849	5.2
91.05482	7.8
93.03417	0.5
93.07045	3.9
95.04974	2.6
95.08601	8.3
96.08163	0.7
97.06532	4.9
98.09695	23.1
99.04417	0.4
99.08093	4.7
100.11228	0.5
101.03915	1.4
102.09178	6.3
103.05479	2.0
105.04526	0.9
105.07043	2.5
107.08597	1.1
109.06517	2.4
109.10162	1.2
111.08064	0.6
112.11220	0.6
113.06002	0.6
113.09637	3.2
115.05460	16.4
115.07584	0.7
117.07032	1.9
119.04961	0.6
119.08561	1.1
121.10159	0.8
123.08030	0.4
124.11230	1.1
127.05460	1.3
128.06223	9.1
129.07016	5.5
131.08562	1.0
133.10126	0.9
140.06059	0.4
140.14313	0.5
141.06985	13.4
142.07787	2.8
142.12273	8.8
143.08553	1.8
145.06505	1.0
145.10173	0.5
152.06221	6.0
153.06978	4.9
154.07765	1.8
155.06036	1.1
155.08542	2.0
157.10132	0.5
158.11801	1.0
165.07008	9.7
166.07759	2.4
167.08563	3.4
168.09355	0.6
169.06517	0.9
169.10184	0.6
178.07771	6.3
179.08557	4.1
180.09250	1.1
181.10123	1.1
183.07986	0.4
185.09650	0.4
189.06943	0.7
190.07828	0.7
191.08556	4.8
192.09349	2.4
193.10086	1.3
202.07794	0.6
203.08479	1.0
204.09514	0.3
205.10156	1.3
206.10767	0.4
207.11690	1.3
209.09668	0.5
212.14595	0.4
217.10283	0.4
221.13139	0.4
306.27994	0.7
324.23172	3.9
324.28937	3.8
342.24265	100.0
342.29980	40.4
343.24588	7.9
343.30273	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54338	0.3
56.05034	1.5
56.96567	0.4
58.06596	100.0
59.04997	0.9
59.06934	0.5
67.05509	0.3
69.03428	0.4
69.23969	0.6
69.24377	1.6
70.06585	0.8
73.05290	0.6
85.02896	3.0
88.07594	2.2
91.05457	0.7
92.17172	0.3
95.46800	0.3
98.97569	0.7
105.07027	0.8
116.98574	0.5
118.08641	2.4
120.58788	0.4
127.03932	0.8
128.10724	1.4
131.11736	0.4
137.05949	1.7
138.06311	1.1
145.04907	1.0
147.04312	0.4
152.82567	0.5
159.08006	0.5
161.05975	0.8
162.06389	0.5
163.05974	2.1
164.19313	0.3
175.07526	0.9
176.07826	0.4
187.07576	0.6
188.07858	0.5
255.73012	0.4
284.26297	0.4
291.37341	0.4
310.11566	1.1
342.26355	39.1
343.26767	2.9
351.54901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	O-[(5Z)-dodecenoyl]carnitine
Peak:m/z	Relative Intensity
50.07167	0.4
56.05038	1.2
58.06601	100.0
59.06932	0.9
64.97365	0.4
69.03419	0.8
69.39594	2.2
69.68320	0.4
69.77282	0.4
70.06602	2.3
72.08166	0.4
73.05294	1.0
74.51157	0.3
85.02913	3.3
86.09709	1.0
87.04491	0.7
88.07656	2.0
91.03941	0.4
95.08606	0.7
98.97552	0.5
105.83008	0.5
110.09703	0.4
118.08659	2.0
126.09178	0.4
127.03883	0.7
128.10728	0.9
129.08008	0.4
145.04962	1.9
163.06039	2.5
170.11812	0.5
183.15002	0.6
229.15503	0.6
324.25339	1.4
325.08054	0.5
342.26395	47.3
343.26602	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.7
58.06601	100.0
59.06939	1.0
61.02928	0.4
64.95353	0.4
67.05517	0.3
69.03435	1.0
70.05192	0.9
70.06590	2.9
72.08192	0.5
73.05309	0.4
76.76584	0.4
81.07050	0.8
82.16217	0.4
84.08150	0.7
85.02907	3.4
86.09719	1.0
87.04519	0.4
88.07619	2.0
91.03956	0.5
95.08624	0.6
97.02896	0.7
98.97607	1.0
105.03408	0.4
110.09679	0.7
118.08662	2.3
119.08508	0.4
126.09141	1.0
127.03916	1.9
128.10745	2.1
145.04968	2.9
163.06010	3.5
170.11746	0.8
189.83134	0.4
211.14471	0.5
213.84196	0.4
229.15428	0.9
278.97089	0.4
297.36447	0.4
306.24222	0.5
324.25259	2.0
342.26395	51.8
343.26721	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	342.2643
Annotation	O-[(5Z)-dodecenoyl]carnitine
Peak:m/z	Relative Intensity
55.05492	3.7
56.05036	3.0
58.06589	7.2
67.05504	6.2
72.08160	3.6
72.25092	2.6
75.83070	2.4
81.07063	6.3
84.08144	6.6
86.39534	2.4
95.08598	5.2
96.08120	3.9
97.08895	3.0
98.97588	8.3
100.11263	5.2
110.09707	4.4
110.61581	2.5
116.98601	3.9
124.11231	5.6
126.09106	3.6
128.10710	17.6
142.12257	41.7
144.10164	15.9
191.23759	2.3
191.83563	2.4
205.68881	2.5
278.96695	3.2
284.17657	2.7
291.71423	2.5
306.24222	2.7
324.25311	6.6
341.19550	2.4
342.26389	100.0
342.29752	5.5
343.26636	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	342.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
57.03429	3.3
58.06606	6.7
67.05505	4.4
67.32008	1.1
67.81979	1.1
69.07066	6.6
69.85586	3.8
71.04979	1.2
72.08144	4.4
79.05484	4.2
81.07047	7.4
83.08607	5.5
84.03041	1.2
85.06557	1.6
93.07037	4.5
95.08607	4.1
97.06525	4.1
97.10188	1.6
98.09689	10.8
98.22803	1.4
98.97614	5.6
99.08057	1.2
105.03354	1.1
107.08579	3.6
108.08123	1.2
109.10147	2.1
110.09673	4.5
116.98631	4.2
121.10147	3.0
125.38992	1.1
128.10710	19.5
142.12297	7.1
144.10170	1.7
149.13257	3.7
152.44196	1.2
161.45070	1.1
167.14217	1.6
224.32474	1.2
226.51007	1.1
254.21217	1.4
261.22214	1.6
274.97467	1.7
278.96848	2.3
295.95743	1.6
324.25427	2.2
324.28979	5.6
342.20816	4.7
342.26443	6.2
342.30023	100.0
343.30478	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	342.3005
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
51.02382	0.5
55.01873	2.7
55.05512	6.3
56.05033	3.0
57.03439	5.4
57.07065	0.9
58.06605	4.5
59.04998	1.3
65.03930	0.6
67.05502	9.8
68.05857	0.7
69.03421	0.7
69.07066	5.4
69.15746	3.4
70.06607	3.1
71.05003	5.6
71.07376	1.3
72.04507	1.2
72.08157	43.6
77.03931	0.6
79.05487	3.9
81.07060	14.0
83.04993	1.7
83.08612	4.5
84.08138	3.7
85.06533	2.8
85.08926	3.2
86.09698	3.4
91.01838	1.3
91.05462	3.1
93.07039	6.3
95.04984	5.2
95.08607	14.7
96.08142	1.2
97.06521	1.8
97.92569	0.5
98.09694	100.0
99.10017	1.8
100.07620	1.5
101.03906	1.1
102.09183	5.0
105.04501	0.8
105.06976	1.3
107.08609	2.2
109.06540	1.9
109.10168	2.9
110.61798	0.6
111.00986	0.7
111.08088	9.4
112.11225	1.1
113.06019	2.6
114.09185	0.8
115.05454	14.3
117.07046	0.8
119.08559	1.3
121.10139	1.6
122.26110	0.6
124.11231	1.4
128.06229	2.9
129.07007	2.6
129.09126	1.8
134.74059	0.7
138.12778	2.1
141.07001	10.8
142.12296	2.5
152.06190	0.7
153.07019	2.0
154.07574	0.7
155.08542	1.0
156.13838	80.9
157.14180	2.3
158.11775	1.8
165.07019	1.7
167.08601	1.1
174.14876	1.4
178.07841	1.0
179.08650	0.9
186.14886	4.2
191.08572	1.5
205.10286	0.6
210.66383	0.6
236.20157	1.3
306.24817	0.7
306.27768	3.9
313.07062	1.4
324.23248	18.8
324.29025	40.0
325.23615	2.0
325.29370	3.3
342.24310	60.5
342.30069	75.5
343.11826	1.8
343.24570	5.3
343.30328	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	342.3003
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
53.03942	0.6
55.05513	5.7
57.03441	20.4
57.07074	1.4
58.06604	0.6
62.06092	3.3
65.03933	0.6
65.43459	0.4
67.05160	0.8
67.05510	15.8
69.07069	10.0
69.17577	3.1
70.06569	0.6
71.04977	1.2
72.07788	0.9
72.08161	12.0
73.06570	0.5
79.05507	6.0
81.07060	18.2
83.04967	0.9
83.08630	2.9
83.85796	0.6
84.08132	0.9
85.06531	1.1
91.05496	0.8
93.07034	5.5
95.04974	1.6
95.08614	17.8
97.06532	6.8
97.10184	1.4
98.09692	2.0
99.08105	6.4
102.09255	0.5
105.07033	1.3
107.08613	3.1
107.78634	0.5
109.06509	1.8
109.10151	5.4
111.08004	0.5
113.09639	5.2
114.09203	0.8
115.07610	2.3
119.08591	0.9
121.10171	2.7
123.11723	0.9
133.10132	0.6
135.11702	2.0
144.10178	0.9
149.13271	1.0
154.75842	0.5
156.10181	0.7
156.13860	1.0
172.13365	1.1
240.23289	2.4
245.22644	0.6
306.27960	0.6
324.29013	6.4
342.30045	100.0
343.30365	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	342.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	0.8
55.05465	9.0
56.04984	2.3
57.03428	6.0
57.07022	5.4
58.02915	1.1
58.06547	12.1
60.04469	8.0
65.03924	0.7
67.05504	20.9
67.05834	1.0
69.07071	16.2
69.07407	0.8
69.86615	2.0
70.06538	2.7
70.06944	0.8
71.04952	1.2
71.08634	4.0
72.08088	3.1
79.05497	9.8
81.07056	20.5
83.08611	6.0
84.08144	22.1
85.06490	1.5
85.10114	1.1
86.06068	12.8
88.07589	1.9
91.05421	2.4
93.07043	14.3
95.04925	0.8
95.08608	23.8
96.08109	1.1
97.06516	6.1
97.10159	4.5
98.09676	1.4
100.07558	1.0
105.06974	0.8
107.08591	11.9
109.10155	10.6
110.09667	3.9
111.10462	0.8
111.11678	1.0
112.07549	2.4
112.11198	1.4
114.09146	0.8
115.07475	1.0
116.07073	1.3
121.10146	6.9
123.11672	2.5
125.09566	1.0
128.10725	8.1
128.98289	0.6
135.11682	5.8
149.13210	2.5
156.10204	21.7
163.14719	0.9
163.19563	0.7
174.18480	1.4
184.57832	0.7
197.18994	1.0
230.24760	1.4
240.23381	0.7
247.24232	6.8
265.25287	2.5
278.28415	11.7
279.28629	0.9
296.29465	100.0
297.29828	7.0
306.27896	12.2
314.30481	8.0
324.28949	55.2
325.29190	3.4
342.20944	2.5
342.33792	1.6
342.37302	25.6
343.37662	1.4
346.52716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3004
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
55.05511	20.6
56.05029	4.8
57.03442	7.5
57.07081	13.4
58.02952	4.3
58.06601	16.0
60.04527	35.3
65.69581	1.1
67.05159	2.0
67.05506	35.1
69.06715	2.7
69.07069	46.1
70.06590	3.9
71.04965	1.7
71.08630	8.9
72.04512	1.4
72.08134	9.5
79.05488	23.9
80.40047	1.2
81.07053	46.3
82.06585	1.6
83.04976	2.1
83.08615	15.9
84.08142	64.0
85.06557	2.3
85.10197	3.2
86.06067	17.9
88.07628	3.8
91.05477	3.6
93.07043	25.8
95.04922	1.9
95.08607	49.2
97.06531	21.2
97.10167	14.8
97.95599	1.2
98.09669	1.8
98.22615	2.4
99.08076	3.9
100.07559	1.5
105.07037	2.1
107.08599	20.9
109.10167	18.4
110.09672	11.2
111.08099	2.2
111.11710	3.4
112.07597	11.3
113.09649	2.2
115.07546	5.7
121.10159	11.6
123.11697	7.5
125.09641	1.7
128.10715	24.5
135.11693	12.0
137.13237	2.2
138.09164	1.7
139.11272	1.4
149.13263	5.0
149.21971	1.5
156.10201	98.0
157.10506	1.2
163.14803	2.1
171.43918	1.2
174.18507	1.3
179.17903	1.9
191.17938	1.9
194.15276	1.3
197.18938	3.4
203.61436	1.3
230.24704	1.9
247.24277	10.2
265.25323	4.9
278.28415	13.9
296.29462	82.6
297.29739	4.5
306.27783	11.7
314.30505	43.6
315.30759	1.5
324.28964	100.0
325.29245	5.7
342.26367	2.5
342.30203	31.5
342.37247	51.2
343.30371	2.6
343.37643	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	342.3005
Annotation	N-acetylsphingosine
Peak:m/z	Relative Intensity
55.01834	1.8
56.05044	1.5
57.03441	10.5
58.06597	3.0
67.05516	4.1
69.07089	2.7
70.06572	1.8
70.70150	1.6
71.04989	2.3
72.08158	8.3
79.05485	3.9
81.07062	7.3
83.08597	2.3
92.94522	1.4
93.07053	3.6
95.08617	7.4
97.06520	2.5
98.09687	12.4
98.97600	9.8
99.08066	3.7
107.08561	2.5
109.10192	2.6
110.09665	3.3
111.40217	1.4
116.98616	5.0
128.10710	20.1
133.10072	1.7
135.11610	2.1
142.12299	4.2
147.11728	1.7
180.66321	1.4
278.96820	2.2
296.97983	1.8
324.29022	9.2
342.20694	7.2
342.30017	100.0
343.30438	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	342.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05091	0.3
55.01860	0.5
55.05296	0.4
55.05516	4.2
57.03182	0.6
57.03440	7.5
57.07079	3.0
58.06623	0.7
67.05505	5.6
69.07072	7.7
70.06603	0.3
71.05006	0.4
71.08633	1.8
72.04527	0.4
72.08158	4.8
79.05487	2.0
81.07056	7.8
83.08623	4.2
84.08142	0.8
85.02901	0.5
85.06541	0.6
85.10188	1.7
86.09677	0.4
93.07041	2.2
95.04964	1.0
95.08606	9.3
96.08130	0.4
96.08962	0.4
97.06530	2.8
97.10177	2.1
98.09693	14.0
99.08113	2.0
100.32052	0.3
102.09143	0.9
107.08605	1.5
109.10159	2.7
111.11745	0.9
113.09627	2.0
115.07560	0.8
121.10137	0.8
123.11687	0.8
124.11232	0.5
125.09605	1.0
135.11639	0.8
142.12268	5.9
158.15407	0.4
169.15860	1.1
240.23164	0.5
270.29019	0.4
279.26920	1.1
306.31482	0.6
324.28970	1.4
324.32578	8.1
325.32993	0.6
342.30142	6.5
342.33664	100.0
343.30219	0.5
343.33994	8.0
343.38065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01870	0.8
55.05513	7.1
56.05033	1.4
57.03178	0.5
57.03438	5.7
57.07083	6.1
58.02950	1.3
58.06605	6.7
67.05507	8.5
69.06710	0.6
69.07071	9.0
70.06597	1.8
71.04986	1.4
71.08633	4.3
72.02048	0.4
72.08156	4.0
73.50878	0.4
76.76382	0.4
79.05495	5.2
81.07059	11.4
82.06589	0.9
83.04972	0.9
83.08621	5.1
84.08143	27.5
84.50252	0.5
85.06541	0.9
85.08469	0.6
85.10175	2.3
88.07634	1.1
91.05482	1.7
93.07054	4.6
95.04977	1.9
95.08023	0.8
95.08612	13.1
96.08128	1.5
97.06544	2.8
97.10170	4.3
98.09694	4.4
98.22710	1.3
98.97591	1.1
99.08103	2.4
105.07032	2.3
107.08599	4.7
108.08089	0.5
109.10143	4.0
110.09682	3.1
110.38219	0.4
111.08129	0.8
111.11739	1.3
112.11277	0.7
113.09663	1.2
116.98637	0.7
117.07015	0.8
118.54466	0.5
121.10141	1.5
123.08037	0.5
123.11724	1.3
125.09610	1.5
128.10715	11.0
129.11017	0.5
134.99687	0.5
135.08066	0.5
135.11702	1.8
142.12256	1.3
145.10075	1.9
149.13234	1.0
151.07515	0.6
154.83685	0.4
163.11183	1.0
163.14841	0.6
169.15860	1.3
183.17589	0.5
203.12799	1.1
221.15569	0.6
239.17909	0.5
240.23186	0.6
275.20047	1.0
278.96835	0.6
293.28409	0.7
295.96060	0.4
306.31561	4.6
324.28983	1.8
324.32578	19.6
325.32913	1.7
326.58066	0.5
342.30182	5.9
342.33667	100.0
343.22760	2.6
343.29987	0.6
343.34009	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	343.1024
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.50460	1.0
51.75414	0.8
52.03888	0.9
56.14281	0.9
69.44844	3.6
70.06551	1.2
79.05482	1.1
82.14989	0.9
82.90374	0.9
84.46551	0.8
89.03924	6.6
107.04926	2.5
109.42239	0.9
117.03379	10.2
135.03462	1.4
135.04427	16.7
145.02847	12.8
163.03900	100.0
164.04178	4.3
181.04956	40.3
182.05351	1.6
192.20140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1237
Annotation	Sucrose
Peak:m/z	Relative Intensity
53.03943	2.3
55.01871	11.4
57.03434	12.8
61.02913	5.5
68.45718	1.4
69.03062	2.8
69.03427	37.7
70.06593	11.2
70.53107	2.6
71.04981	3.5
72.08141	5.6
73.02907	5.3
81.03406	6.1
85.02905	100.0
86.03226	3.0
87.04498	2.6
97.02890	39.8
98.23321	1.9
99.04471	10.2
101.02387	6.5
103.04037	1.6
106.90138	1.6
109.02888	7.0
115.03907	3.5
127.03915	78.1
128.04257	1.9
129.10254	1.4
131.05675	1.5
145.04961	46.9
146.05257	2.7
163.06032	11.3
164.57471	1.8
175.71724	1.5
196.95581	1.5
197.03815	3.6
225.06868	3.1
238.36613	1.6
241.06380	1.8
269.05896	1.9
326.08011	5.1
343.10645	2.3
343.20831	3.5
344.09067	15.2
363.00000	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85276	1.2
55.01873	11.1
57.03431	11.7
61.02920	5.7
66.01351	1.2
67.26686	1.2
69.03427	40.3
70.06584	4.7
70.47437	1.2
70.66595	2.5
71.04987	2.6
72.08162	2.1
73.02911	7.1
81.03426	7.8
85.02906	100.0
86.03238	2.1
97.02894	37.7
99.04454	10.1
101.02385	9.3
105.03353	1.6
109.02885	8.5
115.03931	4.1
127.03915	80.0
128.04283	3.3
145.04956	47.2
149.18318	1.3
154.65648	1.3
155.06665	1.6
163.06015	10.1
171.10892	1.8
173.07697	2.7
187.05724	1.6
189.12007	1.7
212.08670	2.1
215.09891	3.4
230.09875	3.6
233.11003	2.7
283.12589	5.4
283.15799	2.3
325.14722	4.5
325.18210	1.5
326.13263	1.5
343.15790	7.7
343.19260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.7
57.03440	7.4
61.02925	5.8
69.03432	37.3
70.06588	3.7
70.95004	2.6
71.01357	1.8
71.04992	2.2
72.08155	9.0
73.02915	6.4
73.08479	3.2
81.03419	7.8
85.02906	100.0
86.03239	1.9
87.04504	1.8
97.02890	36.1
99.04463	7.0
101.02364	5.3
109.02896	9.1
115.03984	2.5
118.08665	3.8
127.03912	75.5
128.04268	2.9
139.00278	1.7
145.04964	49.8
153.12976	1.5
163.05994	11.1
205.16728	1.8
211.67480	1.8
249.33325	1.5
249.36151	1.7
343.19659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01882	3.7
55.05497	2.5
57.03434	4.6
57.07070	1.5
58.06581	1.6
61.02932	5.0
67.05498	2.5
69.03428	16.8
69.07069	4.4
70.06599	14.0
71.04987	2.3
71.06928	1.4
72.08150	4.3
73.02914	2.0
79.05495	9.0
80.05817	0.7
81.03416	6.4
81.07059	10.3
83.04986	8.7
84.08137	3.1
85.02907	33.7
86.09710	33.4
87.04479	1.7
87.10038	9.2
91.03954	1.5
91.05461	6.4
91.07635	0.7
93.07050	11.7
94.07359	0.9
95.04972	20.9
95.08611	4.2
96.05326	0.9
96.08127	1.0
97.02887	10.4
97.06538	5.7
98.09682	5.2
99.04446	2.8
99.08106	1.3
102.09094	0.9
103.03910	0.8
105.03407	1.0
105.07029	8.3
107.04949	7.1
107.08604	11.9
107.97574	0.9
108.08062	0.8
109.02890	4.0
109.06506	2.4
111.04456	1.3
114.09131	1.5
116.07097	19.5
117.06868	0.8
117.07433	4.2
119.04916	1.4
119.08591	5.0
119.09293	0.8
121.06519	5.9
121.10143	13.2
122.06872	0.8
123.04414	1.6
123.08033	3.0
125.05994	12.1
126.09151	7.1
127.03906	7.0
128.10747	1.8
129.06996	1.7
129.10208	0.9
130.07790	3.9
131.08513	1.0
132.10164	0.9
133.06462	0.9
133.10124	2.1
135.04407	1.4
135.08078	1.8
135.11702	8.0
137.05942	1.3
137.09583	1.4
142.12325	4.0
143.08580	2.2
143.12666	1.0
145.04980	9.9
145.10129	20.4
147.04387	4.3
147.08052	2.1
148.08879	1.2
149.06007	0.8
161.09567	1.6
163.03935	1.9
163.11182	100.0
164.11566	3.6
165.05550	1.6
165.09097	2.0
167.07056	0.9
175.11015	1.2
177.60349	0.8
181.04936	0.9
181.08482	1.2
181.12231	14.6
182.12636	0.9
183.10141	1.6
186.14848	1.3
199.18018	4.0
200.18355	5.7
203.05251	1.8
205.12248	1.0
223.13313	1.5
227.17567	2.5
228.17859	3.1
245.08878	1.8
286.01773	0.8
307.15320	1.2
308.22229	1.9
319.15326	1.1
326.23251	11.3
343.13440	16.0
343.17462	1.5
343.23026	15.5
343.26474	1.6
344.15710	4.0
344.20609	3.0
344.24323	19.3
344.27905	1.0
352.10269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12624	0.7
53.03957	3.7
54.74699	0.8
55.01873	4.8
55.05505	1.3
57.03435	8.0
57.07067	0.9
59.05003	1.5
61.02934	13.5
61.03215	1.7
62.15174	0.8
66.91370	0.8
67.05502	3.4
69.03432	30.2
69.07077	2.1
70.06602	3.9
70.72005	1.2
71.04996	7.8
72.08160	2.9
73.02920	5.1
78.06129	0.7
79.05491	7.3
81.03413	12.0
81.07063	9.4
83.01344	1.0
83.04995	1.8
85.02908	100.0
85.06545	5.9
86.03220	1.3
86.09707	7.5
87.04482	3.9
87.10058	1.9
91.03961	5.6
91.05477	4.3
93.07035	9.6
93.07507	0.8
93.64507	0.8
95.04970	27.0
95.08601	11.6
95.09153	1.3
97.02896	32.6
97.06537	3.4
98.09711	4.6
99.04465	6.1
99.08103	2.3
105.07034	9.7
107.04993	2.5
107.08590	10.5
107.09264	1.1
108.08117	0.9
109.02885	9.7
109.06521	24.5
109.10174	3.0
111.04491	1.1
116.07109	3.8
117.06945	1.2
119.08635	4.4
119.09367	1.1
119.43288	0.9
121.06522	7.0
121.10162	11.1
123.08076	9.2
123.11744	1.4
125.06065	1.9
127.03926	17.8
130.07831	1.1
131.08589	1.2
133.10164	2.1
135.08090	1.1
135.11708	9.1
137.09656	2.8
137.13271	2.5
139.03976	1.0
142.12302	2.2
143.08534	1.5
145.04964	22.4
145.10121	11.6
147.11716	9.8
151.11198	3.1
163.03955	1.7
163.11186	53.5
164.11580	1.9
165.12744	14.1
175.11182	1.3
177.12794	1.6
181.12244	89.5
182.12607	2.9
187.11172	1.3
198.81081	0.8
199.18001	1.2
200.18456	1.1
202.40170	0.9
205.12300	3.8
223.13264	6.8
228.17940	1.2
244.14415	0.8
289.14423	1.0
307.15555	2.0
320.09726	0.8
326.23209	2.0
343.17456	4.4
343.23077	5.5
344.17310	1.6
344.24313	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	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05516	20.3
56.05842	2.4
57.03431	12.3
57.07072	18.6
58.06592	10.1
59.04998	5.3
61.20623	3.3
63.80518	2.5
67.05503	30.5
69.03400	3.7
69.07069	21.5
69.09728	14.3
69.10134	6.4
70.06563	3.1
70.07407	2.9
71.05000	13.5
71.08635	8.5
72.05284	2.7
72.08154	12.2
79.05495	19.1
81.07053	43.8
82.07384	4.2
83.04979	3.4
83.08620	5.9
84.08144	32.5
85.06551	6.9
85.08492	6.9
91.05478	22.0
93.07050	49.7
95.04968	37.3
95.08602	61.6
96.08915	4.6
97.06532	16.4
97.10175	10.9
98.09660	5.1
98.10576	3.3
99.08067	4.0
105.03419	3.4
105.07024	49.0
107.04980	4.5
107.08595	34.6
108.05790	3.0
109.06519	7.9
109.10146	12.4
110.09684	5.9
111.08115	3.0
113.09642	6.6
115.05448	4.2
117.07018	17.1
119.08588	15.4
120.36636	3.0
120.38915	3.0
121.06502	10.3
121.10152	16.7
123.08057	11.4
123.11733	4.4
125.06044	3.2
125.09637	3.7
128.10661	13.0
130.07806	6.6
131.08543	6.2
133.10133	11.5
135.08014	13.7
135.11685	16.1
137.06018	2.9
143.08574	8.3
145.10124	51.8
147.08043	9.1
149.09639	3.2
149.13264	4.7
151.07547	32.2
159.08049	3.0
159.11723	5.0
161.09641	3.9
163.07550	3.9
163.11223	33.8
165.09123	10.5
173.09579	3.9
177.09119	4.8
183.11682	2.8
185.13326	3.6
189.12738	6.3
197.13252	3.9
201.12680	4.4
203.14268	4.3
207.13834	4.8
209.15317	3.8
211.14880	3.2
221.15399	15.4
229.41412	2.8
240.23245	13.0
269.15469	3.7
278.96814	3.4
296.97833	3.4
307.31955	6.1
324.32608	12.5
325.21674	6.1
325.29300	4.9
325.32913	22.2
326.60718	2.8
342.33658	40.3
343.11441	3.9
343.22665	60.5
343.30267	12.4
343.33990	100.0
344.22104	9.9
344.31644	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01870	5.0
55.05511	10.0
57.03440	13.9
57.07071	7.7
59.05001	3.2
59.99632	1.6
62.06105	1.9
65.98605	1.4
67.05504	17.0
69.03419	5.0
69.07066	12.3
69.54349	1.3
70.06593	7.0
71.04987	12.8
71.08626	4.1
72.08150	6.5
79.05497	12.8
81.03452	2.1
81.07053	24.5
82.07375	1.9
83.04983	3.4
83.08611	6.0
85.06567	2.6
85.10175	3.4
91.05492	14.3
93.07049	41.4
95.04974	33.4
95.08607	50.0
96.08958	1.7
97.06532	12.9
98.09701	8.0
99.08104	3.1
105.03447	3.0
105.07034	35.7
106.85566	1.3
107.08591	32.2
109.06521	10.0
109.10188	8.5
111.08128	2.7
113.09654	3.1
115.05450	1.8
115.60117	1.5
117.07021	14.8
119.08606	15.7
121.06511	7.9
121.10169	13.3
122.07283	1.5
123.08068	16.2
124.19685	1.6
130.07793	9.6
131.08575	4.9
133.06465	3.7
133.10129	10.7
135.08058	17.3
135.11696	11.4
136.11990	1.4
137.05946	1.4
137.09619	2.5
142.07768	1.6
142.12268	3.0
143.08574	7.2
145.10123	57.3
147.08075	6.7
147.11717	3.9
149.09628	4.4
151.07532	32.1
153.09114	2.1
155.08580	2.0
157.10115	7.0
159.08026	1.6
159.11694	5.6
161.09694	7.3
161.13243	3.9
163.07555	2.2
163.11182	58.3
165.09111	13.1
169.10056	1.5
171.11716	5.1
173.09581	2.3
173.13284	3.5
174.10336	1.5
175.11176	4.8
177.09122	4.7
179.07036	3.8
179.10580	1.9
181.12212	2.5
183.11781	1.6
185.09602	2.1
185.13245	3.3
187.11200	4.1
189.12715	8.9
191.10759	2.0
191.14397	2.6
195.11684	2.1
197.13286	3.1
199.11156	2.0
203.14299	8.1
207.10159	1.8
207.13832	5.2
209.13287	2.1
209.15411	4.1
215.14323	3.9
221.15344	30.9
225.16476	1.5
233.15407	4.1
240.23260	4.6
241.15923	2.0
245.15341	3.3
247.16907	2.0
263.16318	7.2
269.15305	4.4
278.96744	1.8
286.19272	3.3
287.16611	1.6
287.19955	2.6
307.20602	3.2
324.32574	2.3
325.21619	12.9
325.33032	4.0
342.29977	1.9
342.33707	16.1
343.22687	100.0
343.30179	9.3
343.34021	39.3
344.22977	9.4
344.31586	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03920	1.5
55.01867	4.0
55.05511	16.3
57.03445	12.6
57.03680	2.6
57.07079	9.8
59.04991	3.4
60.46779	1.7
67.05509	17.4
69.03433	4.8
69.07062	11.9
69.83839	4.9
70.06597	3.2
71.04996	13.5
71.08629	2.3
72.08149	6.5
79.05486	17.0
81.03403	3.5
81.07056	25.7
83.04972	3.7
83.08609	5.5
85.06529	3.4
87.04463	4.7
91.05473	18.5
93.07040	46.9
95.04965	34.6
95.08604	47.9
96.08933	1.7
97.06516	14.2
97.10167	3.1
98.09681	3.4
99.08060	3.4
105.03368	2.5
105.07024	41.1
106.63283	1.6
107.04932	2.9
107.08598	28.4
109.06517	8.3
109.10145	6.5
109.52644	1.7
111.08086	2.2
113.09638	3.4
115.05467	4.9
117.07025	17.7
119.08568	14.4
121.06516	8.4
121.10158	13.9
123.08079	15.2
123.11668	2.5
128.06221	2.2
129.07037	3.1
130.07814	8.8
131.08571	4.9
133.06453	2.5
133.10132	7.6
135.08051	18.8
135.11682	12.1
137.09641	3.9
142.07822	2.1
142.12317	3.2
143.08560	7.4
144.37469	1.6
145.08978	2.5
145.10123	52.4
147.08061	9.5
147.11694	2.2
149.09650	3.1
151.07549	35.9
153.09108	3.1
155.08571	2.2
157.10114	6.6
159.08041	2.4
159.11707	6.8
161.09608	6.3
161.13344	2.4
163.07581	2.0
163.11183	57.6
165.09105	11.6
169.10110	3.3
171.11647	2.1
173.09662	2.8
173.13239	3.1
175.11206	2.2
177.09190	2.7
179.07016	3.3
179.10735	1.9
183.11699	2.8
189.12849	8.5
191.14174	1.9
195.11807	1.7
197.13293	3.2
199.14842	2.7
201.12669	2.6
203.14278	9.1
207.10103	2.1
207.13806	4.9
209.15421	5.3
210.33379	1.6
221.15353	28.5
223.14949	1.8
227.14310	2.4
233.15346	4.8
240.23297	10.6
243.13893	1.8
245.15425	2.6
263.16443	7.0
267.17160	1.7
269.15570	2.4
278.96570	2.3
279.43076	1.9
287.16290	2.4
325.21616	10.8
342.33600	9.4
343.11615	2.6
343.22665	100.0
343.30203	7.6
343.33987	30.5
344.22665	8.3
344.31561	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03952	2.6
55.01870	4.3
55.05514	14.0
57.03435	14.5
57.07071	10.9
59.04991	3.7
65.03937	1.4
65.60972	1.7
67.05505	23.1
69.03421	8.9
69.07064	9.5
69.68242	3.6
71.04990	14.0
71.08626	4.3
72.08155	4.2
77.03915	2.3
79.05486	19.8
81.03426	1.8
81.07057	30.0
83.04977	5.1
83.08630	3.7
84.57805	1.5
85.06538	5.0
85.10187	2.0
89.06005	1.8
91.05482	23.7
93.07045	54.8
95.04975	44.4
95.08605	65.7
96.05327	2.6
96.08920	3.6
97.06513	14.9
98.23384	2.7
99.08073	2.9
103.05447	2.3
105.04514	1.9
105.07030	62.2
107.04968	3.3
107.08596	41.3
109.06520	12.0
109.10157	3.8
111.08089	2.0
113.09646	4.4
115.05480	4.1
117.07018	22.9
119.08587	19.3
121.06512	11.2
121.10155	14.6
123.08060	21.6
128.06267	2.2
129.07010	4.2
130.07780	12.5
131.08582	7.8
133.06473	6.3
133.10117	11.8
135.08064	16.7
135.11696	12.3
137.05931	1.7
137.09628	4.5
142.07767	3.8
143.08589	10.1
145.06444	2.5
145.10123	64.3
146.10455	3.0
147.08031	9.1
147.11681	4.0
149.09619	3.2
151.07536	39.7
153.09050	2.9
155.08594	1.6
156.09386	2.5
157.10100	7.3
159.08107	2.4
159.11667	5.2
161.09618	5.5
161.13353	2.3
163.07565	2.6
163.11177	59.4
165.09126	12.0
169.10103	2.4
171.11661	5.2
173.09656	3.1
173.13243	2.4
175.11168	4.9
177.09103	4.8
179.07045	3.3
181.10133	1.8
181.12215	3.7
183.11656	2.9
185.09666	2.3
186.88669	1.7
187.11113	3.9
189.09065	2.7
189.12787	6.7
191.14320	4.1
196.12611	1.7
197.13329	2.7
199.11133	2.4
201.12738	2.6
203.14352	7.5
207.11955	1.9
207.13792	4.7
209.13232	2.8
209.15402	2.5
212.31093	1.5
215.14366	2.9
215.62700	1.6
217.12231	2.7
221.15367	30.3
223.14926	2.2
225.12849	1.8
233.15399	5.1
240.23232	4.5
241.15953	2.2
243.13910	2.4
245.15578	1.9
263.16245	7.7
269.15356	3.8
276.20358	1.7
278.96848	1.9
286.19290	4.3
287.20114	2.9
307.20639	2.3
323.75153	1.8
325.21576	12.1
325.29272	4.0
342.33887	1.8
343.22675	100.0
343.30273	8.1
343.33969	2.9
344.22894	8.8
344.31592	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.3
61.02924	9.6
62.86988	4.3
69.03439	19.9
69.53284	22.7
70.06589	27.2
71.04989	8.6
81.03431	14.4
85.02903	87.0
86.09703	7.2
89.06045	5.7
91.05473	66.8
97.02905	23.0
98.98465	6.4
99.04456	5.5
104.99273	61.0
109.02881	8.4
110.09680	15.5
113.67776	4.7
119.04937	61.7
123.04409	9.0
127.03930	17.1
137.05968	98.1
144.10228	12.0
145.04973	21.6
147.04424	58.6
165.05467	100.0
170.11760	23.4
182.08232	6.8
187.05975	5.6
205.07100	5.7
262.98148	54.6
344.14877	10.0
344.20654	22.1
344.24548	7.4
348.47427	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
65.03922	0.7
69.03431	1.1
69.49752	1.7
69.50138	1.2
72.08154	2.8
85.02896	4.0
86.09691	1.0
87.04456	0.7
89.06027	16.8
91.03912	0.6
91.05477	6.2
91.80617	0.5
97.02885	0.8
100.54279	0.5
119.04943	21.6
120.05189	0.5
123.04416	0.9
126.09160	1.0
127.03888	0.7
133.08606	8.4
145.04889	0.7
147.04407	100.0
148.04742	3.7
165.05475	50.1
166.05806	1.5
177.11208	3.2
180.08728	0.8
239.14977	0.7
327.20145	7.3
344.20590	0.7
344.24301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01861	8.9
55.05512	60.3
56.05028	5.7
57.03437	25.0
57.07066	3.9
58.06602	29.5
59.04990	3.7
67.05506	69.0
69.03433	12.6
69.07070	32.3
69.75138	4.2
69.75459	9.5
70.06593	11.3
71.04986	11.0
72.08161	18.3
79.05495	90.2
81.03424	23.3
81.06622	6.8
81.07059	79.2
82.06583	3.9
83.04980	14.0
83.08620	31.3
84.08141	32.1
85.06542	9.8
86.06070	8.8
86.09704	4.6
88.07606	5.6
91.05491	34.8
93.07045	78.4
95.04959	29.2
95.08611	47.5
96.08128	5.5
97.06516	16.6
97.10167	42.7
98.06050	8.5
98.09695	17.6
99.08097	4.8
104.99264	40.8
105.07028	20.9
107.04970	9.9
107.08578	32.7
108.08192	4.7
109.06543	22.8
109.10136	15.5
110.09645	6.8
111.08093	4.6
112.07603	6.7
113.06009	11.8
114.09123	3.8
117.07045	11.7
119.08578	15.5
121.06435	3.9
121.10160	25.1
123.08044	23.7
125.09631	46.3
126.09148	7.2
128.10709	11.4
129.06989	5.6
131.08559	13.1
133.10124	7.9
135.08041	16.1
135.11711	10.4
137.09651	6.7
141.09142	4.9
142.12274	6.0
143.08562	8.2
144.10194	13.1
145.10143	9.0
147.08127	4.3
147.11703	5.5
149.09520	4.2
153.09152	5.5
154.12268	4.5
158.11812	11.0
159.11687	8.7
165.00990	4.2
187.13461	4.7
189.11201	34.4
203.87148	3.9
221.15347	11.1
223.13271	18.2
231.63556	4.9
262.98148	38.2
273.18460	10.2
291.19525	22.3
308.25934	10.9
308.29364	10.9
325.29324	5.4
326.26859	85.3
326.30469	30.2
344.25809	100.0
344.31491	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Broussonetine U
Peak:m/z	Relative Intensity
54.33765	0.9
55.05492	2.5
56.05023	1.6
57.03440	4.9
58.06595	3.6
67.05505	5.3
69.07060	3.8
69.60308	2.4
70.06588	3.3
72.04495	1.1
72.08159	5.6
79.05486	10.2
81.03429	1.5
81.07059	10.2
83.04971	2.4
84.08150	4.6
85.02907	1.3
89.06040	2.3
91.05473	6.3
93.07028	5.4
95.04972	1.3
95.08598	7.5
96.08121	2.0
97.06529	3.8
98.09702	11.1
99.08101	3.8
104.99268	10.6
105.07026	10.3
107.04945	2.9
107.08582	3.5
109.06544	4.2
109.10126	1.2
113.09647	1.6
113.57236	0.9
117.07030	2.1
119.08585	3.0
121.10116	1.8
123.08068	2.8
126.09106	1.0
127.07566	1.1
128.10706	2.7
129.06952	1.0
131.04915	1.3
131.08603	4.2
133.06477	1.8
133.08557	1.3
133.10144	1.4
137.05992	2.0
142.12233	5.0
143.08583	1.0
145.10132	3.4
147.08040	1.1
151.07510	1.7
158.11758	1.4
159.11696	1.5
172.46498	0.8
182.00807	0.9
182.11662	1.8
203.59433	0.9
238.21671	1.0
262.98203	7.1
275.34241	0.8
284.22150	1.7
285.47729	1.1
308.22507	0.9
308.25729	1.3
326.23184	9.8
326.26910	9.2
344.21112	3.8
344.24240	100.0
344.28000	42.4
345.24631	5.1
345.28308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24142	1.5
53.03928	1.7
55.01855	1.6
55.05518	15.3
56.05050	2.0
57.03438	10.6
58.06604	11.5
65.03948	1.9
67.05508	22.7
68.71548	1.5
68.85829	1.6
69.03426	3.6
69.07069	16.3
69.15519	4.9
69.15942	5.1
70.06590	5.1
71.04989	7.6
72.08157	25.3
79.05045	1.7
79.05494	24.5
81.03419	8.9
81.07058	24.4
83.04974	5.8
83.08636	8.5
84.08144	11.5
85.06555	2.3
85.08923	3.5
86.09727	2.1
88.07652	2.8
89.06033	2.1
91.05486	15.7
91.86278	1.4
93.07041	17.7
95.04964	12.0
95.08612	15.1
96.08150	2.1
97.06529	21.1
97.10176	8.1
98.06053	3.2
98.09702	16.0
99.08118	3.5
100.11357	1.7
102.09174	2.8
104.99281	12.5
105.07022	11.4
107.04937	3.4
107.08602	10.9
108.08121	1.5
109.06517	6.4
109.10172	5.1
111.08104	2.8
112.11248	2.6
113.06017	3.8
115.05451	12.8
115.07568	4.0
117.07018	5.7
119.08590	6.1
121.06503	2.2
121.10135	6.0
123.08051	4.4
125.09612	5.4
127.05476	1.5
128.06248	5.5
128.10745	2.2
129.07014	6.3
131.08586	6.1
133.10146	3.5
135.08038	3.9
135.11690	2.6
141.07014	5.3
141.42526	1.6
142.12299	3.1
143.08560	3.1
145.06509	2.4
145.10161	2.1
147.08054	2.4
147.11673	2.7
149.09520	2.0
149.13177	2.4
152.06213	1.9
153.07005	4.1
155.08507	2.6
159.11729	3.6
163.11127	1.9
165.06955	3.6
167.08545	2.4
169.10168	3.1
177.12704	2.6
178.07759	2.4
179.08405	1.6
185.97176	1.5
189.11267	6.1
195.13823	3.2
201.34663	1.6
217.15950	1.7
221.15390	1.7
223.13327	2.7
238.21762	1.7
252.04732	1.4
262.98254	10.5
267.36121	1.6
273.18570	4.8
291.19461	8.3
308.22922	1.8
308.29376	1.9
326.24081	21.6
326.27353	7.1
326.30667	1.9
327.25000	1.8
343.30283	1.8
344.25830	100.0
344.31467	15.9
345.26102	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	344.2544
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
54.92997	0.4
55.05511	8.8
56.05039	0.6
57.05818	0.8
67.05505	0.4
69.07063	1.6
69.56722	1.4
70.06599	1.5
71.06927	0.5
72.08152	82.0
73.08491	1.4
79.05487	1.0
81.05828	0.4
81.07056	0.9
83.04968	0.4
84.08142	1.0
86.09702	100.0
87.10020	1.8
91.05457	0.6
95.08646	0.4
96.08136	1.9
98.09720	0.4
98.23467	0.8
105.06992	0.7
110.09664	2.1
114.09168	5.6
114.76694	0.4
123.08025	0.4
128.10719	8.8
132.10214	2.7
148.16203	0.4
156.33987	0.4
157.17052	0.5
165.09279	0.4
183.13773	0.4
185.16487	52.1
186.16861	2.4
199.18030	2.4
213.15974	35.2
214.16223	1.8
227.17572	1.8
231.16994	1.0
235.20584	0.4
245.18591	9.1
246.18910	0.5
326.23279	0.4
326.26892	0.8
344.12714	1.0
344.17270	1.1
344.24234	5.7
344.27945	5.9
345.13165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2548
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
55.05514	5.6
56.05043	0.8
57.03453	0.6
57.05819	1.0
58.01928	0.2
58.06609	0.5
60.01390	0.2
67.05506	0.8
68.99561	0.2
69.07066	6.0
69.09605	0.6
69.10023	1.1
70.06595	2.6
71.04996	0.5
72.04532	0.2
72.08156	55.3
73.08495	0.9
74.06054	0.3
76.02238	0.4
79.05486	0.9
81.07072	1.9
81.07475	0.4
82.06576	0.3
83.04974	0.3
83.08616	0.3
84.08141	0.7
85.02881	0.3
86.09708	100.0
87.09595	0.2
87.10031	1.6
91.05499	0.4
93.07041	1.1
95.04993	0.5
95.08605	1.6
95.09136	0.3
96.08164	0.3
97.06528	0.5
98.09687	1.5
98.23482	0.6
99.04495	0.3
99.08087	0.3
105.07028	0.9
107.08555	0.4
108.08134	0.4
109.06466	0.2
109.10162	0.2
110.09682	0.9
112.46253	0.2
114.09164	0.8
119.08567	0.4
120.08139	0.3
121.06484	0.3
121.10162	0.4
122.02757	0.6
123.08028	1.1
124.11201	0.3
128.10716	6.5
131.08557	0.3
132.10199	1.7
139.01123	0.2
142.12277	0.9
151.07503	0.3
156.13922	0.3
157.17075	0.3
159.11702	0.4
163.11188	0.3
165.09167	1.4
177.12762	0.6
183.13779	0.8
185.16496	47.9
186.16850	1.8
187.11009	0.3
199.18060	2.2
205.12178	0.4
206.96683	0.3
213.15981	24.0
214.16241	0.9
223.13115	0.3
227.17578	1.3
231.17078	0.6
245.18605	3.6
262.73511	0.3
264.23053	0.3
280.19302	0.2
302.95175	0.2
308.22189	0.5
317.84589	0.3
326.23209	1.7
326.26767	0.5
344.17288	1.0
344.24225	12.0
344.27972	4.0
345.21686	0.3
345.24985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01877	0.7
55.05517	6.4
56.05031	2.8
56.96566	0.7
57.03451	3.7
57.07066	1.3
58.06377	0.7
58.06602	8.0
61.66696	0.6
65.03937	1.0
65.76208	0.6
67.05509	11.0
69.03440	5.2
69.07066	6.1
69.79254	2.2
70.06583	2.6
71.04985	1.9
71.07350	0.8
72.08153	4.0
79.05499	5.1
81.03422	2.5
81.07060	14.1
82.06577	2.1
83.04978	1.8
83.08627	2.9
84.04511	0.6
84.08145	26.4
85.06543	1.4
86.06055	2.1
87.04482	1.0
88.07639	0.9
89.06046	0.9
91.05480	3.2
93.07047	6.4
95.04960	6.4
95.08614	9.3
96.08125	1.9
97.06539	6.2
97.08937	1.3
97.10181	1.3
98.06053	8.5
98.09702	4.3
99.08099	1.5
100.07629	3.1
104.99268	9.3
105.07027	1.7
107.08600	3.2
108.08104	2.0
109.06516	6.5
109.10147	2.1
110.09701	4.5
110.10332	0.8
111.04458	0.8
111.08057	1.2
112.07587	4.2
112.11269	2.6
113.06031	1.8
117.07002	0.8
119.08557	0.9
121.10145	2.2
124.07596	0.8
124.11301	0.8
126.09151	3.0
128.10709	2.5
131.08543	1.0
133.08546	0.7
133.10144	1.6
137.09650	0.8
140.07086	0.6
140.10760	3.2
142.12250	1.4
144.10222	1.4
149.13242	1.2
155.07037	1.1
156.10234	1.9
158.11772	8.7
254.14372	1.0
262.21686	1.1
262.25421	1.0
262.98230	6.2
277.21649	1.0
290.24829	3.5
290.31598	0.7
291.19659	2.0
300.18710	0.7
308.25894	4.6
309.20557	0.7
326.26926	100.0
327.20508	0.9
327.27176	6.0
344.21634	1.7
344.26010	6.7
344.31555	15.3
345.15726	1.1
345.22214	0.8
345.32147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
56.05033	0.9
57.03443	0.3
58.06601	0.5
59.05431	0.2
67.05511	0.6
68.05013	0.3
69.07077	1.0
70.06590	1.4
71.04984	0.5
71.44826	0.2
72.08156	10.6
75.88808	0.2
79.05482	0.8
81.07068	1.3
82.06594	1.4
84.08143	1.5
85.02916	0.2
86.09708	14.7
87.10040	0.2
89.06149	0.2
91.05486	0.4
93.07037	0.7
94.06583	0.2
95.07349	0.8
95.08634	0.6
96.08115	0.3
97.06535	2.8
98.09766	0.3
108.08133	1.0
110.09682	15.3
111.10022	0.5
114.09203	0.7
128.10719	100.0
129.11075	2.4
132.10220	0.6
136.07588	0.4
164.07076	0.9
185.16512	7.4
186.16852	0.4
199.18089	0.5
213.15991	4.9
214.16365	0.2
231.16902	0.5
245.18668	1.1
326.23456	0.4
326.26654	1.0
334.22046	0.3
344.27957	45.7
345.14255	0.8
345.28265	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05514	2.8
56.05024	0.8
57.03440	6.3
57.07056	0.5
58.06599	0.6
62.77279	0.3
65.03950	0.4
67.05504	9.8
68.46301	0.3
69.03416	0.5
69.06711	0.4
69.07069	5.8
69.39293	1.3
70.06575	1.0
70.07423	0.3
71.04990	1.4
72.04508	0.8
72.08150	4.8
79.05484	4.8
81.07056	16.9
82.07374	0.6
83.04972	0.9
83.08611	1.8
84.08139	1.2
85.06530	2.2
86.09710	0.6
86.91179	0.3
87.04424	0.3
91.05474	2.4
93.07040	5.2
95.04973	0.7
95.08018	0.6
95.08604	9.3
97.06532	4.6
97.10147	0.9
98.09692	11.6
98.23378	0.6
99.08092	4.0
99.09988	0.4
102.09167	0.8
104.99267	0.4
105.07018	2.5
107.08597	4.7
109.06534	0.6
109.10162	2.8
110.09634	0.5
111.08047	1.2
113.09647	1.7
115.07625	0.6
117.07018	0.6
118.00254	0.3
119.08579	1.3
121.10144	3.0
123.08098	0.5
123.11687	2.3
124.11240	0.7
125.09592	0.7
127.07526	0.3
128.10739	1.2
129.65622	0.3
131.08571	1.2
133.10118	2.6
135.11678	2.2
135.33728	0.3
137.09642	0.6
142.12273	7.8
142.76419	0.3
145.10106	0.8
147.11696	1.9
149.13243	1.1
151.11160	1.0
159.11729	0.6
161.13226	0.8
169.12231	0.8
171.11633	0.3
173.13275	0.9
187.13284	2.5
187.14735	0.5
195.13788	0.4
227.17981	0.4
245.19063	0.5
263.20044	2.3
281.20990	0.6
308.25839	0.6
326.26910	6.0
344.27936	100.0
345.28247	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	344.2798
Annotation	Dodecanoylcarnitine
Peak:m/z	Relative Intensity
51.49364	0.3
55.05510	1.9
56.05031	0.6
57.03440	5.7
57.05845	0.3
58.06607	0.6
67.05503	5.7
69.07068	3.3
69.19136	0.7
69.19541	1.2
70.06591	0.6
71.04978	1.1
72.04512	0.6
72.08152	4.2
73.06532	0.4
79.05502	2.7
81.07056	10.2
83.04955	0.8
83.08620	0.9
84.08134	0.8
85.06518	1.1
86.09692	0.5
91.05489	1.5
93.07043	3.0
95.04988	0.4
95.08602	5.6
97.06538	2.2
98.09689	11.7
99.08106	2.0
102.09182	0.8
105.07010	1.5
107.08605	2.5
109.06561	0.5
109.10164	1.3
111.08067	0.5
113.09640	1.4
115.07586	0.4
119.08579	0.8
121.10120	1.6
123.08112	0.3
123.11696	0.8
125.09625	0.7
130.69162	0.3
133.10133	1.5
135.11658	1.0
139.11136	0.5
142.12273	4.9
145.10127	0.6
147.11719	0.8
149.09648	0.5
151.11171	0.8
157.10176	0.3
161.13185	0.4
173.13303	0.8
183.57378	0.4
187.13254	1.0
187.14803	0.4
188.41597	0.3
191.14201	0.5
195.13885	0.4
263.19958	0.8
281.21112	0.7
308.25784	0.4
326.26901	7.1
327.27206	0.7
344.27936	100.0
345.28284	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.316
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
53.03936	0.4
55.01858	1.0
55.05262	0.4
55.05512	6.3
56.05027	1.3
57.03439	8.6
57.07065	0.9
58.06605	2.3
59.05008	0.3
65.03947	0.6
67.05507	12.4
68.05826	0.2
69.03423	0.8
69.07069	9.8
69.28843	0.5
69.29245	1.2
70.06583	1.4
71.05011	1.3
72.04498	0.8
72.08158	8.8
73.06541	0.7
74.06121	0.3
79.05048	0.4
79.05492	5.1
81.03416	0.6
81.07056	12.7
82.07356	0.3
83.04987	1.5
83.08626	3.6
84.08154	2.6
85.06531	1.0
85.08932	1.3
86.09720	0.7
88.07628	0.4
91.05493	2.4
93.07040	5.3
95.04975	1.6
95.08608	13.5
96.08138	0.9
97.06533	4.2
97.10176	1.6
98.06049	0.5
98.09694	18.4
99.08089	2.4
102.08512	0.4
102.09174	4.0
103.05493	0.4
103.09493	0.3
104.99258	2.6
105.07025	1.6
107.08027	0.3
107.08603	2.8
108.08121	0.5
109.06528	0.6
109.10156	4.7
110.09685	0.5
111.08101	0.7
112.11240	0.3
113.09650	2.6
115.05433	0.5
115.07563	1.2
117.07013	0.4
119.08627	1.3
121.10143	1.8
123.08060	0.8
123.11655	0.7
124.11201	1.1
125.09625	1.2
126.09144	0.3
128.06187	0.4
129.07008	0.4
131.08545	0.6
133.10121	0.8
135.11694	1.4
137.09544	0.4
138.21468	0.3
139.11165	0.4
140.14345	0.3
141.07030	0.5
142.11177	0.5
142.12267	6.4
144.10181	0.3
145.10065	0.3
147.11685	0.4
149.13255	0.9
153.06955	0.3
158.11769	0.4
158.15407	1.2
159.95944	0.2
160.13326	1.3
163.11130	0.3
163.14844	0.2
175.14717	0.3
184.16992	0.3
186.14972	0.5
189.11224	0.6
212.82909	0.3
221.06621	0.2
262.98245	2.4
263.23621	1.0
273.18533	0.9
290.28397	1.4
291.19647	1.2
308.26163	0.3
308.29434	7.7
309.20544	0.6
326.26923	2.2
326.30478	19.5
327.30881	1.1
344.25473	7.1
344.31583	100.0
345.26337	0.7
345.31915	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	344.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99439	0.6
55.05511	7.5
57.03440	24.2
57.07069	2.5
62.06100	4.0
67.05502	7.6
69.07071	11.4
71.04984	1.0
71.08634	2.1
72.08154	8.3
78.29207	0.6
79.05495	4.8
81.06574	0.7
81.07059	13.7
81.07491	0.5
83.08621	5.7
85.06534	1.4
91.05475	0.8
93.07025	3.0
95.08613	14.1
97.06539	6.0
97.10168	5.6
98.09731	0.8
99.08101	5.5
107.08582	2.4
109.10183	4.7
111.11720	1.0
113.09652	6.5
115.07563	2.3
121.10148	2.1
122.48685	0.6
123.11728	1.2
126.36728	0.6
135.11713	2.0
137.13243	0.9
149.13361	0.8
163.14847	0.9
205.55141	0.6
254.87225	0.7
265.25275	0.7
265.99377	0.7
326.30493	1.3
344.31601	100.0
345.31955	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	344.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.2
57.07076	7.8
60.04517	1.6
67.05500	2.6
67.42109	1.3
69.07092	1.3
69.35119	4.5
69.35531	2.7
70.06596	28.7
71.08628	3.8
79.05520	2.1
80.94849	1.5
81.07069	2.6
83.08595	1.6
88.07634	100.0
89.06005	1.6
91.05478	2.0
102.97923	1.4
104.99274	52.0
106.08668	24.1
109.10184	1.7
133.08595	2.1
153.26894	1.4
182.60793	1.5
190.21645	1.3
196.27374	1.3
224.94115	1.3
225.93851	1.4
225.96072	1.3
262.98163	44.7
273.49759	1.2
283.26328	32.5
284.26538	1.8
321.20999	3.0
344.31616	53.5
344.35315	6.0
345.20242	8.0
357.94794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64030	0.6
71.33564	0.7
84.08175	0.8
98.97597	5.2
101.00854	1.0
116.98649	1.7
140.98897	1.6
158.99901	1.5
163.86649	0.8
177.00961	8.6
182.99925	2.5
184.33385	0.6
200.95015	0.7
200.98203	1.3
200.99153	0.8
201.00940	9.7
202.01102	1.3
214.96576	3.3
219.02008	100.0
220.02104	9.2
220.55905	0.8
220.95580	1.1
221.01892	1.1
238.96175	2.5
242.03593	4.7
242.99377	1.6
256.97607	23.4
257.97614	2.0
258.99963	1.4
260.99915	0.6
261.03009	1.8
274.97754	1.1
279.98273	1.3
280.97113	2.8
282.99954	2.7
284.99875	4.3
298.97858	48.7
299.98114	3.7
301.01065	2.3
303.01044	3.3
318.95117	1.0
320.95999	0.9
321.99319	8.1
322.99313	1.0
327.95486	1.0
345.02060	3.3
363.03201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.2
70.47102	0.8
70.47437	0.8
83.06099	1.5
86.03529	1.6
95.06075	1.3
98.97577	0.8
102.79382	0.5
104.99272	20.5
104.99977	1.0
105.05759	1.7
106.06584	1.2
107.04964	2.3
111.05559	4.4
120.04456	2.7
123.05523	0.7
126.06610	1.7
130.06496	0.8
132.04456	24.3
132.08057	0.9
134.05998	5.6
135.70462	0.8
137.04694	1.0
137.06119	0.6
145.41631	0.6
150.05484	2.9
151.06145	11.0
155.09985	0.7
158.06064	0.8
166.07217	1.0
174.08069	0.6
194.06772	4.5
195.07439	0.8
202.09824	2.5
203.08180	1.2
230.09282	1.8
231.07600	1.9
232.10802	2.7
242.09230	4.7
255.08958	0.7
257.10349	4.7
259.11917	11.0
262.98178	15.2
274.12912	0.6
284.11502	4.8
302.12442	17.6
303.12793	1.1
327.12152	2.5
343.20026	0.6
345.13055	100.0
346.13306	6.6
346.22366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28170	1.2
55.05477	1.1
56.05037	1.2
56.96565	9.8
59.90359	1.0
60.05649	8.7
61.86753	0.9
69.07076	2.5
69.60886	3.6
70.06596	44.5
70.98116	4.4
71.04978	1.5
71.06889	1.1
72.08157	11.4
81.24551	1.0
82.99870	1.8
84.08147	8.3
86.09708	95.1
87.10040	2.3
88.07632	1.4
95.06142	1.0
97.06534	4.4
98.06087	1.1
98.23372	1.9
98.97594	2.2
101.00875	13.5
103.17149	1.0
112.02449	1.1
112.08722	10.7
113.07080	1.4
115.08696	5.3
116.07104	9.3
116.98664	1.4
118.03503	2.9
119.01923	29.3
122.07150	3.8
126.02322	1.0
128.98592	1.1
129.10240	2.3
130.03535	1.6
130.08629	1.4
130.09781	2.7
131.01961	3.6
132.10223	3.4
137.02954	4.5
140.08215	2.3
142.05460	1.5
142.07156	4.3
143.11803	16.9
144.05063	1.3
144.08720	3.9
146.99582	2.3
147.07695	1.0
152.05673	4.0
154.03519	1.9
154.07140	2.5
156.10188	1.6
157.10860	1.5
158.04852	1.1
158.09248	6.6
160.06479	1.3
160.08217	3.3
162.09749	2.2
165.00706	1.6
168.08734	4.2
171.11269	1.8
172.04541	1.3
172.08183	19.7
172.94385	1.6
172.97588	1.4
173.02994	1.4
173.06630	2.5
175.00893	4.2
175.11906	13.4
177.00919	2.0
183.15024	1.4
186.09769	32.8
186.11371	1.8
187.09981	1.4
190.09277	2.6
190.95453	1.3
190.98622	2.7
191.04008	1.3
191.07684	2.3
197.06601	2.4
201.00955	1.9
201.12402	2.5
204.10774	8.3
206.07002	2.8
207.11980	1.5
208.10420	1.2
214.07455	3.5
214.09254	47.0
214.95436	3.0
215.07634	2.1
215.09471	3.2
216.98700	1.7
219.02029	2.1
223.01173	1.1
224.08180	2.4
225.17169	2.7
232.10326	100.0
232.14154	3.5
232.96439	4.9
233.08531	1.4
233.10507	8.0
239.16037	2.3
240.14397	1.4
243.02094	2.6
243.66031	1.1
250.97566	1.8
255.02034	4.4
255.11932	1.3
257.17087	4.2
261.03143	1.7
267.15625	2.2
271.17725	1.6
273.02997	1.5
273.16687	1.6
275.18164	4.2
276.07516	1.1
285.16589	19.3
285.19501	1.8
286.17175	1.7
303.01166	1.1
303.17651	65.1
304.06900	1.7
304.17889	7.0
310.18613	2.1
319.52069	1.2
321.18777	5.7
328.19870	3.0
345.22473	59.0
346.04663	2.4
346.22391	3.0
364.06073	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47878	0.5
53.03945	0.7
55.01872	0.8
55.05498	1.5
56.05033	1.7
57.03440	1.3
57.07070	0.8
58.06604	1.1
59.05003	0.7
61.03403	0.5
67.05497	1.9
69.03438	5.8
69.06716	0.6
69.07072	9.4
69.30933	0.5
69.31252	2.8
70.06587	2.8
71.04967	0.8
71.08635	0.8
71.24829	0.5
72.08155	1.7
74.06079	5.0
79.05473	2.7
80.97048	0.5
81.03419	2.0
81.07061	17.1
83.04983	3.4
83.08605	1.0
84.04494	2.0
85.02899	6.3
85.06537	2.9
86.06087	0.7
86.09711	18.6
87.10020	1.9
91.05482	1.0
93.07040	1.4
95.04933	1.0
95.08626	5.3
97.02872	1.5
97.06522	1.7
98.09696	1.5
99.04433	1.9
99.08096	11.1
101.07150	5.6
105.07032	1.3
107.08598	2.8
109.06512	4.1
109.10141	2.1
111.08083	1.1
113.05997	1.4
119.08591	1.0
121.10155	8.2
122.02711	1.6
123.08052	2.3
123.11696	3.8
125.09637	6.8
127.03919	0.9
127.07572	2.1
131.08493	0.6
132.10152	0.8
135.11674	0.8
137.09628	1.7
137.13254	1.5
139.11185	7.6
142.12251	1.0
143.11798	1.9
145.04919	1.4
147.11674	1.5
149.09531	0.6
152.35657	0.5
165.12753	4.3
183.13812	100.0
184.14186	4.0
185.16591	0.8
187.14429	21.7
199.18098	0.5
200.18369	1.4
207.13651	0.6
215.11916	0.4
215.13910	8.7
228.17932	1.3
245.18614	1.3
275.43771	0.5
328.24847	0.7
345.15250	8.4
345.21756	0.7
345.24585	1.7
345.28278	1.0
346.15723	0.7
346.26007	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	345.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01857	1.0
55.05506	7.5
55.14377	0.9
56.05033	2.5
57.03429	1.2
58.06594	1.3
61.02920	2.4
63.41022	0.8
68.86812	0.8
69.03424	2.6
69.07080	5.4
69.56721	2.3
69.57109	1.6
70.02954	3.4
70.06593	7.9
71.04994	1.6
72.08158	100.0
73.02922	1.2
73.08473	1.3
79.05488	1.8
81.03401	1.2
82.06577	2.4
83.06108	9.9
84.04502	14.5
84.08142	3.7
85.02910	21.8
85.03999	1.8
86.09708	58.6
87.05595	10.7
88.03988	1.6
91.05480	1.5
93.79416	0.9
96.08143	5.2
97.02895	6.6
98.02424	6.0
98.09663	1.1
99.04482	1.1
99.09209	2.8
101.07156	1.8
102.05543	1.1
103.05480	2.3
104.07113	18.3
107.04974	3.0
108.08086	1.6
109.02879	1.1
109.08421	1.2
110.02419	5.9
112.08752	1.4
113.10796	2.3
114.09183	1.4
114.87315	0.7
116.07081	1.7
118.08669	1.9
121.06509	18.0
124.07593	3.6
126.09197	1.7
127.03929	5.6
127.08690	11.6
129.06602	3.9
129.10220	1.8
132.10178	2.6
138.09123	2.6
139.07538	1.0
139.09557	0.9
141.06612	1.5
141.10233	19.3
143.11790	4.0
144.06557	0.8
145.04948	9.8
147.04399	2.1
148.04773	2.4
149.05971	1.5
152.07088	1.7
152.10687	1.8
155.11766	6.7
157.09610	0.9
157.13390	1.9
162.07646	1.8
163.06001	3.8
165.05499	1.5
166.05847	1.9
166.08633	5.2
167.07060	3.1
169.09743	12.0
169.13307	1.5
171.11247	1.6
175.10738	4.0
183.11320	5.5
184.13304	1.5
186.12396	42.7
187.10803	1.5
196.14488	9.2
197.09210	4.9
197.12852	7.3
199.18068	2.1
200.13950	22.2
212.09232	3.4
214.11865	34.0
214.15172	4.0
215.13899	2.2
224.14009	4.0
225.12338	2.6
228.13472	7.8
229.11754	2.4
231.16978	1.5
236.42796	0.9
241.15315	1.6
242.14958	1.0
246.14456	6.9
282.18103	3.9
286.17639	1.1
300.19211	0.9
311.16046	3.7
313.07913	0.8
327.20258	6.4
328.18784	3.7
328.24457	0.9
345.15192	7.2
345.21588	10.8
346.22253	1.8
346.26059	1.1
368.54987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01857	1.0
55.05506	7.5
55.14377	0.9
56.05033	2.5
57.03429	1.2
58.06594	1.3
61.02920	2.4
63.41022	0.8
68.86812	0.8
69.03424	2.6
69.07080	5.4
69.56721	2.3
69.57109	1.6
70.02954	3.4
70.06593	7.9
71.04994	1.6
72.08158	100.0
73.02922	1.2
73.08473	1.3
79.05488	1.8
81.03401	1.2
82.06577	2.4
83.06108	9.9
84.04502	14.5
84.08142	3.7
85.02910	21.8
85.03999	1.8
86.09708	58.6
87.05595	10.7
88.03988	1.6
91.05480	1.5
93.79416	0.9
96.08143	5.2
97.02895	6.6
98.02424	6.0
98.09663	1.1
99.04482	1.1
99.09209	2.8
101.07156	1.8
102.05543	1.1
103.05480	2.3
104.07113	18.3
107.04974	3.0
108.08086	1.6
109.02879	1.1
109.08421	1.2
110.02419	5.9
112.08752	1.4
113.10796	2.3
114.09183	1.4
114.87315	0.7
116.07081	1.7
118.08669	1.9
121.06509	18.0
124.07593	3.6
126.09197	1.7
127.03929	5.6
127.08690	11.6
129.06602	3.9
129.10220	1.8
132.10178	2.6
138.09123	2.6
139.07538	1.0
139.09557	0.9
141.06612	1.5
141.10233	19.3
143.11790	4.0
144.06557	0.8
145.04948	9.8
147.04399	2.1
148.04773	2.4
149.05971	1.5
152.07088	1.7
152.10687	1.8
155.11766	6.7
157.09610	0.9
157.13390	1.9
162.07646	1.8
163.06001	3.8
165.05499	1.5
166.05847	1.9
166.08633	5.2
167.07060	3.1
169.09743	12.0
169.13307	1.5
171.11247	1.6
175.10738	4.0
183.11320	5.5
184.13304	1.5
186.12396	42.7
187.10803	1.5
196.14488	9.2
197.09210	4.9
197.12852	7.3
199.18068	2.1
200.13950	22.2
212.09232	3.4
214.11865	34.0
214.15172	4.0
215.13899	2.2
224.14009	4.0
225.12338	2.6
228.13472	7.8
229.11754	2.4
231.16978	1.5
236.42796	0.9
241.15315	1.6
242.14958	1.0
246.14456	6.9
282.18103	3.9
286.17639	1.1
300.19211	0.9
311.16046	3.7
313.07913	0.8
327.20258	6.4
328.18784	3.7
328.24457	0.9
345.15192	7.2
345.21588	10.8
346.22253	1.8
346.26059	1.1
368.54987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	3.1
70.17009	2.3
70.17352	1.1
72.08167	1.5
76.40235	0.9
84.08163	1.2
85.02905	3.7
86.09701	1.1
91.05470	1.3
95.04946	0.9
96.08140	1.2
103.05468	58.5
104.05806	1.6
107.04945	11.6
114.09177	3.4
129.88322	1.0
131.04924	99.9
132.05263	2.9
144.10226	7.1
149.05978	100.0
150.06310	2.1
170.11873	1.2
197.06104	1.2
200.66840	1.1
346.22211	11.7
346.25888	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	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65339	0.8
53.03939	2.1
53.73634	0.9
55.01871	2.7
55.05511	2.8
56.05035	1.3
57.03444	6.3
58.06605	1.3
61.02935	9.0
65.30083	1.0
67.05497	2.8
69.03434	17.0
69.07071	5.3
69.55257	3.8
70.06599	4.2
71.04988	3.0
72.08157	16.8
73.02923	4.7
73.06559	0.8
73.08495	3.5
74.06092	1.1
79.05491	3.8
81.03415	8.3
81.07063	3.3
83.01356	1.3
84.04507	5.3
84.08148	2.7
85.02905	100.0
86.03237	1.4
86.09708	47.7
87.04475	2.2
87.05596	1.5
87.10043	2.1
88.04004	2.4
91.03957	6.8
91.05490	1.2
93.07067	2.2
95.04975	1.1
95.08596	1.5
96.08138	3.8
97.02892	23.8
97.03489	1.6
98.02425	1.4
98.06065	1.8
98.09704	0.9
99.04463	5.3
99.09262	0.9
102.05578	2.1
103.05472	10.8
104.07114	3.6
107.04960	7.9
107.08576	1.4
109.02887	7.4
110.02391	1.4
110.09702	1.3
114.09212	4.6
115.08730	0.9
116.07122	1.0
118.08646	1.2
119.08597	1.2
120.08125	1.1
121.06506	74.5
122.06850	2.9
122.09671	6.0
123.11718	1.1
127.03921	23.7
127.08698	1.8
128.09056	0.9
131.04938	3.9
132.10188	1.9
138.12770	8.1
139.07544	2.9
141.10243	4.4
142.10478	0.9
144.06581	1.4
144.10236	1.4
145.04964	43.4
147.04437	0.9
148.04765	1.4
148.11198	3.9
149.06001	3.5
149.09694	1.1
156.10208	2.2
157.13354	1.9
162.07693	3.1
163.06024	11.7
166.08734	1.2
166.12276	35.3
167.07063	12.2
169.09718	1.5
180.08755	1.9
183.11198	1.6
184.13329	92.2
185.16435	1.0
186.12427	4.6
186.13837	0.8
187.10844	1.7
187.12686	4.2
188.06987	1.3
197.12906	1.7
199.18048	3.5
201.12395	14.1
201.14217	1.2
213.15833	1.0
214.11819	2.2
215.10356	1.4
215.12163	2.0
215.13943	2.5
225.12212	1.1
227.17566	1.8
229.11832	4.6
247.12860	1.2
274.22076	1.0
328.24994	2.4
346.03922	1.9
346.15198	1.1
346.22318	6.5
346.25769	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	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01869	2.1
55.05508	1.3
56.05025	1.9
57.03444	4.8
58.06594	2.0
61.02929	7.7
61.79319	0.8
65.03926	0.8
67.05508	1.1
69.03437	16.2
69.07066	3.8
69.48091	3.1
70.06599	3.8
71.04990	3.1
72.08162	16.5
73.02913	4.4
73.08490	2.0
74.06089	0.9
79.05495	4.0
81.03421	5.2
81.07052	3.2
84.04507	3.4
84.08156	5.4
85.02909	94.3
86.03238	2.6
86.09710	44.3
87.04486	2.4
87.05595	1.0
87.10030	1.6
88.03963	3.8
91.03954	5.4
91.05473	1.7
93.07054	2.7
95.08599	1.1
96.08124	3.4
97.02899	23.9
98.02404	1.0
98.03217	0.8
98.06039	1.7
98.09702	0.8
98.22707	0.9
99.04458	4.2
102.05539	1.6
103.05475	9.8
104.07109	2.6
107.04942	6.7
107.08583	0.9
109.02880	5.3
110.09686	2.3
114.09191	3.9
115.03967	1.0
116.07135	1.2
118.08653	1.4
120.08081	1.5
121.06509	66.1
122.06881	1.7
122.09663	6.6
124.07567	1.2
127.03910	20.3
128.04271	1.2
131.04958	2.8
132.10197	1.2
134.08107	1.3
138.12788	10.2
139.07518	2.9
141.10220	3.0
142.10568	1.0
145.04962	36.4
147.04416	2.0
148.04756	1.2
148.11252	3.6
149.06009	2.5
149.09702	0.9
156.10216	3.5
157.13327	2.7
162.07666	2.0
163.06039	10.2
166.08685	1.3
166.12277	40.5
166.90331	0.8
167.07074	10.0
167.12598	1.0
169.09760	1.3
170.11830	0.9
175.98047	0.8
179.88033	0.7
180.08720	1.3
183.11336	1.5
184.13335	100.0
185.04375	1.0
185.13696	2.4
185.16409	1.6
186.12399	1.8
187.10844	1.3
187.12706	2.2
188.07130	1.2
197.12851	1.1
199.18076	3.0
201.12352	19.9
201.14169	0.9
215.10283	1.0
215.13907	3.1
227.17511	1.0
229.11800	5.4
233.11366	1.1
260.79132	1.0
328.24835	2.2
346.03992	1.6
346.22171	6.3
346.26157	7.0
347.16510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.234
Annotation	Ile Leu Thr
Peak:m/z	Relative Intensity
51.84508	0.2
56.05035	1.4
57.03439	0.4
57.48403	0.2
58.06606	1.4
67.05502	0.4
69.03432	0.7
69.07071	5.5
69.72131	0.6
69.72505	0.5
70.06599	3.8
71.05003	0.3
72.08158	1.7
74.06081	0.9
79.05493	0.4
81.07039	0.3
82.06573	0.3
84.04511	0.4
84.08150	3.0
85.02906	2.7
85.08495	0.3
86.09709	100.0
87.09590	0.2
87.10023	1.7
91.05479	0.4
95.04978	0.4
96.08145	0.3
97.02899	0.5
102.05557	0.4
102.09090	0.3
104.05341	0.7
107.04966	3.5
108.08130	0.4
109.02894	0.4
110.09724	0.4
110.44936	0.2
112.08775	0.3
112.33028	0.3
114.09174	1.4
114.75072	0.2
116.07098	1.2
119.04916	0.4
120.06590	1.8
120.08112	0.6
121.06499	0.4
123.04419	0.4
126.09195	0.6
126.61016	0.2
127.03926	0.9
129.10257	1.0
130.05037	0.6
130.08624	0.5
144.06621	0.4
144.10213	0.9
145.04993	1.0
147.04419	0.4
147.11263	0.5
149.06001	2.5
158.09991	0.4
166.38681	0.3
167.07056	0.6
170.08171	0.4
180.08588	0.5
185.11798	0.5
188.69690	0.3
199.18059	28.8
200.18472	0.8
204.85440	0.2
215.13913	3.9
227.17542	16.4
228.17918	0.7
233.14973	4.0
233.83476	0.3
243.13434	0.8
260.19766	0.4
283.56897	0.3
286.20209	0.4
310.19986	0.4
328.22177	3.8
329.22647	0.3
346.15363	0.8
346.22211	6.7
346.25824	0.7
347.12689	0.6
347.16531	0.6
347.22748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82258	0.6
55.01857	0.7
55.05468	1.8
55.05709	0.6
56.05035	9.9
56.05285	1.4
57.03439	3.3
58.06600	5.9
67.05508	4.6
68.05036	0.9
69.03407	0.7
69.07059	5.0
69.59124	0.6
70.06593	6.2
71.04956	1.1
71.44114	0.8
72.08160	4.3
74.06080	27.0
76.02193	1.1
79.05506	4.4
81.07063	6.9
82.06564	0.8
82.07362	1.3
83.04964	1.3
83.08603	0.9
83.53679	0.6
84.04507	7.1
84.08103	2.6
85.02860	1.1
85.06544	1.5
86.06026	2.5
86.09705	66.6
87.05530	0.9
87.10012	1.7
91.05442	2.1
93.07040	3.8
95.04945	1.1
95.08607	5.0
96.08123	0.9
97.06479	2.3
97.10184	0.9
98.09697	7.1
99.08102	3.1
100.07591	0.7
101.07140	21.7
102.05508	1.3
105.06998	2.7
107.04943	4.2
107.08578	2.6
109.06505	1.5
109.10109	2.0
110.09655	1.4
111.08078	1.2
112.07579	0.9
113.09618	0.8
114.09118	1.7
115.99514	0.6
116.07122	0.7
119.08539	2.0
121.10119	2.3
121.52979	0.7
122.02729	4.4
122.10488	1.3
123.08012	1.0
124.11163	2.0
125.09585	1.7
125.10699	0.7
126.09102	2.1
126.12775	2.3
127.07526	0.8
128.10692	0.8
129.10179	0.8
130.08574	1.6
131.08565	4.1
132.10201	3.6
133.10062	1.5
135.08061	1.2
135.11618	0.7
139.11301	0.9
142.11194	0.9
142.12274	14.2
143.11774	8.3
145.10056	1.1
147.11688	1.0
149.09595	2.8
151.07529	0.9
152.10670	1.5
161.13205	0.7
169.13361	0.8
183.13805	5.7
184.14159	10.0
185.11644	0.6
187.14413	100.0
188.12988	1.1
188.14780	2.9
197.12950	1.0
207.13826	1.7
215.13905	40.3
216.14236	2.0
233.14932	3.3
244.06967	0.7
245.18661	4.3
268.22647	0.9
281.87750	0.7
286.23682	1.2
292.22751	0.8
310.23621	1.9
328.24930	9.4
346.16245	1.7
346.25943	49.5
346.29529	4.8
347.16739	3.3
347.26291	2.5
347.30026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05587	0.5
55.01870	0.9
55.05489	1.8
56.05038	9.0
56.87823	0.6
57.03434	5.5
58.06597	4.9
67.05511	4.7
69.07075	5.3
69.15455	3.0
70.06606	2.9
70.43919	0.5
71.04967	0.9
72.08151	4.8
73.04024	0.6
74.06083	26.3
79.05497	5.1
81.07070	5.1
83.04959	0.8
83.08630	0.8
84.04512	7.3
84.08131	2.1
85.06521	0.7
86.06055	2.1
86.09710	75.8
87.05554	0.8
87.10018	0.9
91.05462	3.5
93.07040	4.7
95.04914	1.0
95.08610	4.3
96.08119	1.2
97.06550	1.5
98.09684	9.9
99.04449	0.6
99.08088	1.7
100.07632	1.2
101.07145	21.0
102.05553	3.0
102.09160	0.6
104.87227	0.6
105.07009	2.3
107.04945	2.1
107.08604	3.7
109.06484	1.5
109.10162	1.6
110.06034	1.1
111.08105	1.8
113.09620	0.8
114.09155	0.9
119.08599	1.5
120.08019	0.6
121.10120	1.3
124.11243	2.9
124.80640	0.6
125.09612	1.1
126.09165	1.8
126.12795	1.7
128.10733	1.0
130.08656	1.3
131.08583	5.5
132.10201	5.0
133.10126	2.0
135.08099	1.6
135.11736	0.7
140.07143	0.6
142.12274	14.2
143.11761	5.9
144.10260	0.8
145.10170	1.1
146.11772	4.3
147.11658	1.0
149.05962	0.7
149.09656	2.7
153.09088	1.0
155.08154	0.9
168.06541	2.4
169.13336	1.8
173.09253	1.6
185.04196	0.6
185.11740	0.8
187.14421	100.0
188.12975	1.5
188.14758	3.0
197.12860	0.9
199.17863	0.6
201.08766	1.5
215.13918	35.3
216.14275	0.7
233.14972	2.6
245.18643	3.2
268.22668	1.5
284.25726	0.7
286.23810	1.3
310.23904	1.7
328.24838	9.5
346.08282	1.9
346.25900	71.6
346.29300	2.7
347.09222	2.3
347.26190	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2377
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
55.05497	2.2
63.87096	0.6
65.80521	0.7
67.05495	2.3
69.07059	1.9
70.06590	2.4
71.08965	1.0
79.05503	2.1
81.07049	3.8
82.06573	2.6
84.08155	1.0
91.05470	0.9
93.07039	2.1
94.06561	5.0
95.04962	1.5
95.08636	1.0
96.08120	5.1
104.99277	0.8
105.07021	0.8
107.04948	8.3
107.07327	4.5
108.08130	3.7
110.09674	2.2
120.08118	4.8
122.09662	3.3
123.02288	0.7
123.04435	12.7
127.09957	0.7
128.10730	2.6
134.09695	1.3
136.11200	1.0
146.05986	1.1
149.05992	1.4
161.06021	0.8
164.57463	0.8
175.06252	1.6
208.04260	3.4
218.19139	0.9
263.98520	1.1
328.22705	25.5
328.28650	1.9
329.23019	1.8
346.07480	5.6
346.23752	100.0
346.29413	11.5
347.08179	0.9
347.24130	9.5
347.28455	1.0
347.29861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
56.05028	2.5
57.03424	1.6
57.07059	0.5
58.06602	19.3
67.05502	6.9
69.07068	3.7
70.06591	3.7
70.31834	0.9
72.08175	2.4
74.06068	0.5
79.05492	2.9
79.67699	0.5
81.07056	8.4
82.06590	1.0
83.04962	0.5
83.08614	1.6
84.08142	1.8
85.06536	1.6
86.06107	0.5
88.07629	1.0
91.05479	1.1
93.07060	3.7
94.06553	0.6
94.16090	0.4
95.08609	8.0
96.08137	2.6
97.06532	0.7
97.10126	0.7
98.09703	0.6
104.99292	1.0
105.07030	1.5
107.04948	5.5
107.08576	2.8
108.08089	1.3
109.10149	2.8
110.09673	1.9
114.09187	1.0
119.08588	0.9
121.10126	2.1
123.04415	0.6
123.11729	0.6
128.10687	0.8
133.10078	0.9
147.11613	0.7
148.77402	0.4
159.10117	0.4
198.18575	0.7
222.22162	3.3
238.21680	4.3
244.22844	0.6
248.23721	10.3
249.24004	0.5
264.20435	0.6
264.23218	12.5
265.23557	0.9
266.24777	5.8
274.21375	0.6
282.24271	6.6
283.24399	0.5
284.25830	29.9
285.26111	2.1
292.22629	1.4
292.26080	0.6
300.25323	22.9
301.25613	1.7
310.23734	2.8
310.27396	5.7
328.24719	6.2
328.28445	9.0
329.28583	0.8
346.25793	100.0
346.29553	75.6
347.26126	7.5
347.29871	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.5
55.05516	38.6
56.63425	5.4
57.03428	8.8
61.52526	5.1
66.11676	5.1
67.05507	97.3
69.07063	43.6
69.96814	16.7
71.05005	6.6
76.56847	5.6
77.93266	5.9
79.05492	42.5
81.07060	100.0
83.04987	7.3
83.08611	19.9
84.97756	5.4
85.06550	5.1
91.05486	35.9
93.07044	50.8
95.04957	8.4
95.08607	43.3
97.06532	6.7
97.10182	25.9
105.07018	32.9
107.08594	60.8
109.06539	8.2
109.10160	57.1
117.07011	12.1
119.08580	17.6
121.10164	19.8
123.11719	8.5
125.09623	27.2
131.08583	19.2
133.10104	32.4
135.08031	5.9
135.11690	15.4
143.26135	5.9
145.10158	10.7
147.11685	14.7
149.09669	14.1
149.13240	28.4
155.10693	24.5
159.11705	18.5
171.10133	8.6
173.11714	48.7
177.12762	13.5
180.01381	5.4
189.11215	18.5
195.13803	82.9
213.14772	38.9
223.79959	5.2
239.17989	8.7
257.18985	14.5
275.20117	99.5
293.21158	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	346.259
Annotation	Broussonetinine B
Peak:m/z	Relative Intensity
50.59861	0.5
55.01879	0.6
55.05509	1.6
56.05038	2.7
57.03188	0.8
57.03440	6.4
58.06598	1.4
62.88071	0.5
65.23421	0.4
67.05508	3.8
68.49078	0.5
69.07065	4.2
70.06591	1.2
70.50611	0.6
70.50950	0.9
71.56051	0.5
72.04525	0.6
72.08153	4.3
74.06082	5.1
79.05498	5.2
81.07063	4.5
83.04989	0.6
83.08642	0.6
84.04500	1.7
84.08157	0.8
84.39696	0.5
85.06529	0.7
86.09188	0.9
86.09711	17.9
87.10052	1.1
91.05494	3.4
93.07050	5.1
95.08610	3.8
97.06542	2.2
97.10149	0.6
98.09698	11.8
99.08107	1.6
101.07150	6.7
105.07021	3.0
107.05002	1.0
107.08589	3.9
109.06492	0.9
109.10160	1.2
110.09689	0.9
111.08116	1.0
113.09648	1.1
117.07043	1.2
119.08594	1.7
121.10143	1.2
124.11253	1.0
125.09653	1.7
126.09143	0.5
131.08578	0.9
133.10164	2.5
135.08057	1.8
142.12265	8.1
143.11768	1.2
145.10126	1.0
146.11765	1.1
147.11728	1.3
158.15388	0.6
161.13319	0.7
187.14430	28.8
188.14748	1.0
215.13916	7.4
233.14856	0.6
245.18631	0.6
258.34863	0.6
266.24698	0.7
268.22778	1.6
284.25864	1.8
286.23819	2.3
328.24817	7.3
329.25159	0.9
346.25885	100.0
347.26205	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	346.2744
Annotation	Himbacine
Peak:m/z	Relative Intensity
53.03938	0.3
55.05501	0.8
56.05032	1.3
57.03430	0.8
58.06335	0.4
58.06601	5.8
65.03928	0.3
67.05500	2.4
69.07055	0.5
70.06596	3.0
70.26410	0.4
71.04983	0.3
71.07364	0.5
72.08154	1.9
79.05090	0.4
79.05500	3.1
79.67747	0.3
81.07060	5.3
81.07518	0.3
83.04965	0.2
83.08638	0.3
84.08147	10.3
88.07613	1.0
91.05482	14.1
92.05855	0.3
93.07048	4.2
95.04985	0.2
95.08617	1.5
96.08123	0.5
97.06528	0.6
97.08866	0.2
97.10164	0.4
98.09678	0.9
104.99248	0.7
105.07043	1.5
107.04962	0.8
107.08582	1.0
109.10156	1.5
110.09706	0.6
112.11262	2.2
115.05421	0.4
117.07018	15.0
118.07318	0.5
119.08590	0.7
121.10141	3.4
124.11240	0.4
125.77537	0.2
126.11972	0.2
126.95258	0.2
128.10716	0.3
129.06979	1.1
131.08542	1.4
133.10109	1.1
135.11732	0.3
143.08565	1.5
145.10074	0.2
147.11674	0.4
155.10600	0.3
161.09616	3.0
173.11743	1.5
189.11189	0.3
275.20081	0.6
300.23315	0.3
310.24997	0.3
328.26334	18.7
329.26736	1.2
340.93542	0.3
346.27408	100.0
347.27750	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	346.2742
Annotation	Dihydroatisine
Peak:m/z	Relative Intensity
55.05510	1.7
56.05033	2.6
57.03429	0.7
57.07071	0.6
58.06599	7.5
59.48124	0.3
65.03936	0.6
67.05499	4.5
68.05024	1.6
69.07056	1.4
69.50676	0.8
69.51062	0.7
70.06595	3.0
71.04987	0.8
72.08158	2.5
79.05488	2.6
81.06622	0.5
81.07059	5.7
82.06576	4.5
82.46707	0.4
83.04989	0.6
83.08616	1.2
84.08141	10.5
84.08652	0.5
84.62598	0.3
86.06061	2.6
87.06841	2.3
88.07627	0.4
91.05478	15.0
93.07047	3.4
94.06558	1.0
95.04982	3.4
95.07365	1.9
95.08611	3.1
96.08120	1.6
97.06525	1.0
98.06057	9.9
98.09711	2.8
100.07623	2.9
102.41023	0.3
104.99260	0.7
105.07044	2.6
107.04968	1.9
107.08598	0.9
108.08121	5.1
109.06520	1.5
109.10133	1.3
110.09677	30.4
111.10020	0.7
115.05418	0.5
117.07014	5.1
119.08571	0.5
120.08141	0.4
121.10165	0.5
122.09631	0.6
123.04408	0.5
123.11671	0.4
124.11217	1.2
126.09138	4.3
128.10716	90.7
129.06990	1.6
129.11015	1.9
131.08569	5.4
142.12273	2.7
143.08572	1.4
145.10115	0.6
157.10075	0.7
158.11803	0.9
171.11795	0.3
173.11789	0.8
185.13193	0.5
260.73450	0.4
263.98508	0.6
275.20029	0.4
293.21146	0.4
300.23083	0.4
310.25021	0.8
328.22485	0.8
328.26184	5.1
328.28787	3.4
329.26083	0.4
346.24362	4.5
346.27393	100.0
347.23483	0.4
347.27719	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	346.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.2
56.05035	1.0
57.03440	1.3
58.06600	5.2
65.03928	0.2
67.05501	1.0
67.20064	0.2
69.07059	0.3
69.60049	0.7
70.06591	2.0
71.07378	0.5
72.08161	1.4
79.05487	2.2
81.07053	3.8
84.08143	11.3
85.06537	0.3
86.98136	0.2
88.07619	0.5
91.05480	12.7
92.05807	0.3
93.07046	2.6
95.04998	0.3
95.08609	1.1
96.08128	0.6
97.06542	0.3
97.08899	0.4
98.09114	0.2
98.09699	0.9
98.23470	0.4
104.99273	0.7
105.07036	0.7
105.99592	0.2
106.63933	0.2
107.04966	1.8
107.08605	0.3
109.10137	0.3
110.09695	0.6
112.11245	0.9
115.05474	0.5
117.07018	13.8
118.07320	0.5
119.08552	0.3
120.55489	0.2
121.10142	2.5
128.06221	0.3
128.10745	0.3
129.06989	0.6
131.08566	0.7
133.10132	0.9
135.11739	0.2
143.08572	1.3
145.10129	0.2
152.14432	0.2
161.09610	2.9
197.19202	0.2
261.97388	0.3
262.98145	0.3
263.98624	0.4
273.21484	0.2
310.24951	0.2
328.26331	22.2
329.26599	1.7
346.27386	100.0
347.27744	8.0
347.31235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2744
Annotation	Himbacine
Peak:m/z	Relative Intensity
55.05510	1.1
56.05033	1.0
58.06595	4.5
61.51830	0.7
67.05492	1.4
69.07068	0.9
70.06582	3.2
70.32133	1.7
72.08163	1.9
72.94613	0.7
74.63921	0.7
79.05486	3.2
81.07058	4.2
84.08144	9.0
86.72396	0.7
90.37035	0.7
91.05489	12.5
93.07038	3.1
95.08611	1.7
104.99298	3.4
105.03388	1.0
105.07043	1.5
105.99606	1.1
107.04956	5.3
107.08617	1.4
112.11252	1.8
117.07027	12.6
119.93580	0.7
121.10143	1.6
129.07011	1.4
131.08569	1.2
133.10120	0.9
138.89632	0.6
143.08591	1.0
147.08041	0.7
161.09651	3.0
170.58255	0.7
180.88025	0.7
208.96873	0.7
262.98166	0.8
263.98474	2.9
307.02640	0.9
328.26367	20.8
329.26666	2.3
346.27405	100.0
347.27655	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	346.274
Annotation	Dihydroatisine
Peak:m/z	Relative Intensity
56.05019	0.9
58.06612	0.3
58.13884	0.3
68.05034	0.5
69.07060	0.4
70.06597	1.3
70.36375	0.8
79.05477	0.6
81.07043	0.8
82.06570	1.9
84.08134	0.9
91.05469	2.4
93.07018	0.7
95.07344	1.0
97.06520	2.4
108.08097	1.3
110.09676	19.2
117.06987	0.7
128.10712	100.0
129.11058	2.2
143.08481	0.3
299.44226	0.3
328.26700	0.3
346.27383	38.8
347.27844	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	346.2739
Annotation	Himbacine
Peak:m/z	Relative Intensity
55.05497	0.6
56.05034	2.5
57.20827	0.5
58.06599	100.0
59.06296	0.6
59.06929	1.3
69.71020	1.6
70.06577	1.0
72.08167	0.5
73.05304	1.2
79.05487	0.5
80.94843	0.5
81.07066	0.7
82.06581	1.0
82.60425	0.5
88.07632	3.6
90.58806	0.4
91.05485	2.2
93.07052	0.8
97.06534	1.2
103.36983	0.5
103.65573	0.4
104.99264	1.8
105.99641	0.6
107.04967	2.5
107.05914	0.4
108.08133	0.8
110.09686	8.9
117.07021	0.5
118.08641	3.3
128.10715	41.1
129.11073	1.1
263.98361	0.9
312.08698	0.4
346.27386	92.3
347.27682	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	346.2741
Annotation	Dihydroatisine
Peak:m/z	Relative Intensity
56.05029	1.0
57.55863	0.3
58.06601	13.9
68.05017	0.8
69.57430	0.2
70.06590	1.8
70.16965	0.3
70.51974	0.4
70.52324	0.4
71.04994	0.3
74.55562	0.3
77.51896	0.3
79.05497	0.4
81.07056	1.1
82.06590	1.8
84.08153	1.0
84.54048	0.3
88.07629	0.4
88.84428	0.3
91.05484	2.5
93.07037	0.8
94.06564	0.6
95.07336	1.1
97.06508	2.2
104.99313	0.5
105.07047	0.3
107.04984	0.5
108.08139	2.5
110.09683	20.2
111.09989	0.6
117.07014	0.4
118.08617	0.6
128.10719	100.0
129.11084	2.4
147.40846	0.3
196.00735	0.3
220.62712	0.3
233.35626	0.3
328.26248	0.7
346.27396	47.4
347.27734	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	346.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.05015	1.1
57.03440	1.0
58.06592	2.0
61.67278	0.5
67.05495	3.3
69.07062	0.7
69.24087	2.8
70.06586	1.6
72.08146	0.8
74.06081	0.7
79.05489	1.5
80.65134	0.5
81.07049	3.4
82.06563	1.0
84.08144	3.9
86.09716	0.8
88.07587	0.5
91.05481	0.5
93.07056	1.8
95.07359	0.6
95.08601	2.0
96.08126	1.4
97.06541	1.7
98.09702	0.9
98.23445	1.0
104.99231	0.5
107.04952	5.4
107.08588	1.3
108.08110	0.7
109.10137	1.3
110.09682	8.2
112.11250	6.7
114.09181	0.9
121.10146	0.8
126.12769	0.6
128.10715	24.9
129.60347	0.5
131.08629	0.7
199.88680	0.5
217.17230	0.5
223.32800	0.5
245.86868	0.5
261.60855	0.5
310.27261	3.8
328.24487	0.7
328.28430	12.6
346.29504	100.0
347.29837	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	346.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66606	0.2
55.05496	0.8
56.05038	1.3
57.03436	0.5
57.05819	0.4
58.06601	17.0
59.06918	0.3
60.87600	0.2
64.75424	0.2
67.05505	1.8
69.07051	0.8
70.03849	0.4
70.06574	1.0
71.05009	0.3
72.08154	2.8
75.01855	0.2
79.05473	1.2
81.07053	2.1
82.06564	0.5
83.08593	0.4
84.08137	1.0
88.07600	0.6
89.95198	0.3
91.05469	0.4
93.07050	1.3
95.08593	1.7
96.08130	0.6
100.07615	0.5
105.07005	0.3
107.04942	2.0
107.08602	0.5
108.08128	0.6
109.10155	0.6
109.83818	0.3
110.09677	0.6
119.08553	0.3
121.10161	0.3
128.10693	1.2
135.11667	0.4
137.05998	0.3
144.10289	0.4
179.77554	0.3
223.83017	0.3
226.21747	0.7
249.10637	0.3
255.57097	0.2
266.24799	0.6
284.25778	1.3
292.26318	0.8
310.27396	4.4
311.27744	0.4
328.24564	0.3
328.28433	5.4
329.28754	0.6
346.29501	100.0
347.26086	0.3
347.29831	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	346.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01876	0.6
55.05511	4.0
55.05738	0.3
55.47751	0.3
56.05046	1.1
57.03433	2.7
57.07067	0.4
57.30808	0.3
58.02960	0.5
58.06598	2.8
60.04525	0.6
61.56505	0.3
65.03957	0.9
67.05505	11.5
68.05045	0.5
69.07066	6.0
69.50483	1.5
70.06594	4.8
71.05009	1.6
72.04470	0.4
72.08163	1.5
79.05486	5.8
80.05027	0.7
81.07056	12.8
82.06590	2.1
83.08627	1.2
84.08141	19.0
85.06535	1.7
86.09701	4.2
86.41003	0.3
88.07639	0.7
91.05473	3.9
91.43446	0.4
93.07040	6.2
93.07575	0.4
94.06564	4.3
95.04990	1.3
95.07368	0.6
95.08601	10.0
96.08138	4.5
96.08781	0.5
97.06524	3.3
97.10184	0.6
98.09692	0.8
99.08113	1.5
105.07009	2.6
106.06564	0.6
107.04984	1.3
107.07351	4.7
107.08569	4.2
108.08118	4.4
109.06574	0.3
109.08933	1.0
109.10156	3.2
110.09697	2.6
111.08105	1.0
112.11269	0.4
113.09663	0.7
113.76855	0.3
115.07588	0.5
117.07005	0.4
119.08533	1.6
120.08106	4.8
121.08913	1.1
121.10137	2.9
122.09670	2.8
123.04426	9.9
123.05257	0.6
123.08160	0.3
123.10464	0.8
123.11702	0.7
124.04771	0.5
124.11284	0.5
125.09626	0.6
128.10716	11.1
129.11041	0.4
131.08554	0.8
133.10173	1.4
134.09682	0.8
135.08177	0.4
135.11700	1.9
136.11218	0.4
137.06026	0.4
140.10756	0.4
145.10110	0.5
146.11815	1.5
147.11659	0.6
149.05989	1.0
149.13310	1.3
151.11191	0.5
161.06102	0.5
161.13211	0.4
162.12807	0.8
163.14813	0.5
173.12885	3.4
186.13849	0.3
187.13354	1.0
190.15974	0.5
201.12485	1.2
204.17523	0.4
206.19048	0.8
218.19109	1.3
241.14011	0.3
266.24838	0.5
282.24387	1.6
288.19577	0.6
303.99789	0.4
310.27344	2.8
326.21088	0.6
328.22763	25.9
328.28577	8.7
329.22922	2.3
329.29062	0.7
346.23846	100.0
346.29547	59.3
347.24130	8.4
347.29898	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	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15941	0.5
55.01876	1.1
55.05513	8.0
56.05021	2.8
57.03441	9.3
57.07065	2.4
58.06601	4.4
67.05509	9.2
69.03400	0.8
69.06703	0.9
69.07069	12.2
70.06590	3.6
70.17519	1.0
70.17941	0.5
71.04989	2.0
71.08617	1.7
72.04498	1.2
72.08156	12.4
73.06568	0.8
79.05489	4.9
81.07056	11.0
82.06569	2.4
83.04986	1.5
83.08608	5.4
84.08138	5.9
85.06556	0.6
85.08914	2.0
86.09698	1.2
87.06839	0.7
88.07609	1.3
91.05484	9.2
93.07054	4.2
94.06569	0.7
95.04950	2.4
95.07354	1.0
95.08607	13.5
96.08126	1.3
97.06536	5.2
97.10162	4.4
98.06073	4.0
98.09698	17.4
98.22801	0.6
99.08088	2.5
100.07622	0.9
100.89198	0.7
101.06062	0.7
102.09186	5.9
102.22713	0.6
103.05481	0.9
105.07010	3.5
107.04958	1.3
107.08631	2.7
108.08117	2.5
109.06509	0.7
109.10169	4.9
110.09678	17.6
111.11723	1.2
113.09637	2.2
115.05474	0.6
115.07567	1.2
117.07014	2.1
121.10126	1.7
123.11739	1.0
124.11232	2.0
125.09618	1.2
126.09122	0.9
128.10716	87.4
129.07010	1.7
129.11058	1.8
131.08539	1.3
135.11673	1.9
137.13148	0.6
142.12273	6.9
145.10149	0.9
149.13261	1.2
155.10724	0.5
157.10085	0.6
158.15387	1.5
160.13348	2.3
204.46776	0.6
247.24298	0.9
265.25299	1.2
275.19904	0.5
292.30008	1.0
310.31015	11.1
328.26358	6.6
328.31961	19.6
329.26532	1.0
329.32407	1.7
346.23859	3.5
346.27411	62.7
346.33130	100.0
347.18234	1.4
347.27753	5.6
347.33484	7.3
365.69293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.074
Annotation	Cassipourine
Peak:m/z	Relative Intensity
58.06592	9.7
60.04518	2.8
69.89056	5.1
70.06586	3.5
72.08148	15.0
74.06066	3.8
76.72867	2.2
83.06103	3.0
84.04515	6.3
84.08146	11.1
86.09710	10.2
94.93018	21.0
96.08137	2.2
101.07182	3.3
107.71821	2.8
128.10686	2.9
129.10214	8.5
130.05016	5.5
136.06183	3.7
144.10150	3.0
147.07678	4.8
147.11281	4.7
147.67859	2.5
173.12848	9.4
206.88477	4.3
212.85190	56.1
226.98039	3.8
248.89650	29.4
304.79373	2.5
333.11758	3.0
336.77493	2.7
346.22104	12.3
347.03146	5.6
347.07388	100.0
347.10965	5.5
347.22910	15.8
348.07648	3.5
348.23886	4.1
359.39191	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	347.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09678	3.3
56.05033	4.3
56.96564	9.4
60.04525	8.2
64.69802	3.0
69.28649	3.4
69.97103	10.1
70.06590	9.7
72.08157	10.9
84.04511	3.3
84.08145	84.6
86.09711	41.2
87.05604	4.5
97.02890	4.0
98.97570	6.8
107.17481	3.0
110.27132	3.2
116.07070	4.0
129.10251	61.3
130.08640	16.3
133.39349	3.3
136.06169	27.2
144.99809	3.5
147.11333	15.2
151.82129	3.3
152.05534	2.9
156.80273	3.1
163.97601	3.5
173.12856	17.1
201.12343	3.5
216.13454	7.4
232.96547	4.0
234.10303	7.1
253.71352	3.3
279.92630	3.8
305.17432	4.8
346.22491	6.9
347.07422	100.0
347.22995	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.05033	2.3
56.96571	0.6
58.06595	1.0
58.99858	0.6
60.04527	8.6
60.05658	0.6
60.99734	0.5
67.05504	0.5
69.03436	0.7
69.07069	1.6
70.02966	0.7
70.06596	5.1
71.01356	1.1
72.08156	10.3
74.06071	3.2
81.03412	0.6
81.07037	0.5
82.99860	2.4
83.06140	0.9
84.04504	14.0
84.08144	34.3
85.02901	1.6
85.08476	1.6
86.09710	34.1
87.05592	4.4
87.10022	0.7
91.05489	0.5
92.55824	0.5
95.06067	0.6
97.02908	2.8
97.99210	0.5
98.09773	0.6
98.12653	0.5
98.97594	1.7
101.00881	16.0
101.07134	3.0
101.10782	1.4
102.00947	0.7
102.05547	2.0
103.02457	0.7
106.05045	3.8
107.05001	0.7
108.05276	0.8
110.07197	0.8
110.97552	0.7
112.07660	0.7
112.08738	0.7
113.00914	1.0
113.07127	0.7
115.08720	0.6
116.07117	0.8
116.98650	1.0
119.01921	22.5
119.02775	1.1
120.02034	1.1
123.04427	1.5
126.05564	0.6
128.10724	3.3
128.66121	0.5
128.98619	0.6
129.06590	1.1
129.10242	25.8
130.05013	15.2
130.05988	0.6
130.08653	5.1
131.01892	2.9
133.04973	1.1
133.92189	0.6
136.06190	57.9
137.02979	1.7
137.04591	0.6
138.05511	0.7
142.12288	0.9
143.01904	90.6
144.02040	3.9
144.10159	0.7
145.09714	0.7
147.07642	20.9
147.11275	8.2
148.06044	0.7
152.06996	0.5
152.10690	0.6
155.01884	2.1
159.07745	0.8
159.11237	0.5
161.02963	100.0
161.12891	0.8
162.03104	6.1
164.99338	0.5
173.02992	1.6
173.12863	19.6
174.97694	0.7
175.04527	0.6
177.00981	2.6
177.02371	0.7
178.00981	0.8
179.00690	1.3
184.04572	2.1
185.06621	1.5
185.09325	1.1
187.14435	3.3
189.12268	1.1
197.06615	0.6
197.12856	1.7
197.16589	0.9
198.97681	0.7
201.00945	1.2
201.12370	4.3
201.13971	0.6
203.04019	47.3
204.04140	2.7
205.02328	0.6
209.06540	0.8
212.07832	0.7
215.13916	2.9
216.13423	2.1
216.98692	2.9
217.08061	0.6
218.98523	1.8
219.02011	14.1
220.02151	1.6
221.01836	2.3
221.05077	2.7
225.12234	0.6
227.07631	2.6
228.13344	0.9
229.09097	0.6
233.03569	1.4
234.14508	0.7
234.99771	0.7
236.99646	1.9
242.18645	0.7
245.01921	4.6
245.04807	0.9
257.01700	3.2
258.14584	0.7
258.97287	1.4
260.15988	0.8
260.19373	0.6
262.99393	1.1
263.02924	2.0
263.06104	1.5
275.02878	2.1
281.00381	0.7
287.02750	0.8
287.09756	14.6
287.12778	1.1
288.10059	1.5
300.98364	1.3
305.00452	1.2
305.10651	1.8
312.15509	0.8
323.01306	0.8
329.17932	1.2
347.02985	1.4
347.12350	6.8
347.23157	16.2
348.06927	3.9
348.23581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1679
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
56.05021	0.4
69.07093	0.2
69.33781	0.2
70.06579	0.3
70.08140	0.4
70.64955	0.2
86.09717	2.4
91.05474	0.2
93.07053	1.2
104.05329	0.6
133.10107	0.4
147.04739	0.4
157.13367	1.2
164.07399	1.0
185.11517	1.5
185.12990	0.4
347.16769	100.0
348.17136	5.4
348.21826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05026	1.2
57.07074	2.1
58.06595	1.2
58.39238	0.4
60.04513	1.2
67.05497	0.8
69.16611	0.4
70.06577	2.0
71.08623	0.8
74.06069	1.0
76.66516	0.4
79.05490	0.4
79.16779	0.4
81.07033	0.5
81.33241	0.4
88.07626	7.7
89.07948	0.5
90.59631	0.4
95.08578	0.8
97.29878	0.4
97.62238	0.4
102.09171	1.3
107.08566	0.4
109.10106	0.7
113.29618	0.4
118.08640	1.0
122.08116	0.8
123.08030	0.6
131.08549	0.5
149.37129	0.4
176.79536	0.4
191.84543	0.4
235.12971	0.9
236.89539	0.4
244.51021	0.5
249.14699	0.6
284.29471	4.0
285.29694	2.1
289.87067	0.6
298.31006	2.1
299.31442	1.8
346.33115	10.2
347.21902	100.0
347.33441	13.2
348.22220	6.5
348.28784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05004	0.5
60.84909	0.4
67.05479	0.6
69.72969	0.8
88.07639	1.5
91.05482	0.9
98.23461	0.5
107.08651	0.4
116.42832	0.5
249.14653	1.0
265.14154	0.9
284.29675	0.6
299.31207	0.5
319.63733	0.4
336.71967	0.6
338.84027	0.4
346.33078	2.4
347.21906	100.0
348.22290	6.1
348.28891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84422	0.5
57.07078	2.9
58.06584	0.9
64.01157	0.5
70.06586	5.8
71.06925	0.8
71.08621	1.2
79.86959	0.5
85.10155	0.7
88.07630	9.1
89.07954	0.8
94.52090	0.5
95.08611	0.7
98.22672	1.9
102.09180	5.3
103.09529	0.9
104.99270	1.0
105.07044	0.6
128.90622	0.5
256.55344	0.6
284.29480	10.0
285.29791	7.7
319.22299	0.7
329.32556	0.8
346.33160	20.4
347.21906	100.0
347.33447	22.7
348.22247	6.9
348.28940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0705
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
52.38919	0.2
56.96555	0.6
60.05647	1.2
67.57729	0.2
69.03420	0.5
69.07071	0.6
70.06590	3.1
70.67204	0.3
72.08148	0.5
84.08147	0.9
85.45677	0.2
86.09705	3.4
97.02893	7.6
98.97558	0.3
112.08716	0.3
116.07072	1.0
116.98594	0.3
119.03563	1.0
121.01683	0.6
127.02245	0.2
128.90961	0.2
129.10234	0.5
130.08665	0.2
130.09747	0.4
132.10187	0.7
136.06181	100.0
137.04704	0.4
137.06647	1.4
142.02023	0.2
143.01862	0.2
145.03487	0.3
146.03668	0.2
147.03194	0.9
151.37540	0.2
152.05688	0.3
157.06372	0.3
158.09219	0.4
165.04175	0.2
173.07925	0.2
173.10646	0.4
174.07924	0.7
175.07458	0.8
175.11902	6.4
192.08942	0.2
197.63927	0.2
200.97102	0.2
210.09943	0.2
214.11028	0.5
216.09009	0.2
216.98750	1.0
217.09650	0.6
234.10159	0.8
234.99738	0.7
242.10577	1.0
258.09924	0.3
260.11685	0.6
286.09424	0.5
288.10587	1.0
304.10632	0.5
305.17383	0.5
306.17978	0.3
326.64706	0.3
330.07263	0.3
330.12781	0.9
347.22974	0.3
348.02774	1.3
348.07034	5.6
348.13400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.2
58.06590	0.5
58.37153	0.2
69.03429	0.9
70.06588	0.4
71.45098	0.2
72.08154	0.6
72.93794	0.2
84.04504	0.4
84.08142	0.9
86.09716	0.8
87.15748	0.2
92.88988	0.2
97.02888	7.4
98.98467	0.4
101.00893	0.3
111.07428	0.2
119.01907	0.4
119.03545	0.7
128.98691	0.2
129.10228	0.3
130.08594	0.2
131.01871	0.7
136.06183	100.0
137.04588	0.7
137.06625	1.3
143.01927	0.4
144.10159	0.6
145.03479	0.6
147.11394	0.2
148.05898	0.2
155.01915	0.3
159.04955	0.2
161.02959	0.4
171.05055	0.4
173.02985	0.3
173.12796	0.4
174.14850	0.2
187.07889	0.2
199.04424	0.2
201.12314	0.3
208.64731	0.2
242.05142	0.3
280.18314	0.2
330.22653	0.2
347.22824	0.5
348.07019	5.4
348.19852	0.4
348.23779	2.6
349.07291	0.4
349.13251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19174	0.1
55.01869	0.2
56.05039	0.8
56.96553	0.3
57.03429	0.3
58.06596	0.5
60.04250	0.2
60.04528	3.5
67.51936	0.2
69.03426	1.5
69.07061	0.4
69.36705	0.8
69.37000	0.2
70.02957	0.2
70.06590	1.7
71.04965	0.2
72.08157	2.5
74.06087	1.1
81.03428	0.2
83.06104	0.4
84.04013	0.3
84.04505	5.7
84.08144	7.6
85.02401	0.3
85.02908	5.3
85.04833	0.4
85.07848	0.2
85.08454	0.6
86.09706	11.0
87.05576	1.2
87.10032	0.6
88.03986	0.4
91.05473	0.2
94.04055	0.3
95.04960	0.2
97.02894	3.2
98.97573	0.6
98.98473	1.8
101.00887	0.3
101.07143	1.1
101.10730	0.2
102.05542	1.4
106.05036	3.0
110.07140	0.2
112.08736	0.3
115.03915	0.3
116.98648	0.3
119.01915	0.5
119.03574	1.0
120.02035	0.3
123.04440	4.9
126.05511	0.4
126.09194	0.2
128.10738	0.9
129.06584	0.7
129.10246	5.4
130.05003	4.5
130.08667	1.0
130.10617	0.6
131.05382	0.4
132.10211	0.4
134.99580	0.2
136.06186	100.0
136.99989	0.4
137.04562	0.5
137.06639	1.3
141.06630	0.3
143.01891	1.3
143.11795	0.2
144.02026	2.0
144.10257	0.3
145.01634	0.4
145.04976	0.2
147.07652	5.5
147.08813	0.4
147.11287	1.2
148.06050	0.4
148.07990	0.9
151.03877	1.2
151.07578	0.3
152.10738	0.3
155.01897	0.2
161.02959	1.5
161.12952	0.3
162.03096	2.1
163.02734	0.5
164.99492	2.0
169.04955	2.8
171.07722	0.2
173.12869	4.5
174.13239	0.9
175.11971	0.3
178.01085	0.3
180.08650	0.3
187.14424	1.5
189.08752	0.3
196.14536	0.2
197.12877	1.9
197.16504	0.2
201.12340	1.4
203.04024	0.6
204.04156	1.2
205.03857	0.2
213.01602	0.5
215.13937	2.3
216.13503	0.4
217.08226	0.5
219.02029	0.5
219.13370	0.3
220.02071	1.6
221.01787	0.5
221.05002	0.3
225.12308	0.6
232.50352	0.2
243.13387	0.7
245.01767	0.2
246.01790	0.2
257.01697	0.2
258.01956	0.4
262.99380	0.2
263.02893	0.2
264.03217	0.2
288.09985	0.7
304.60849	0.2
306.00546	0.2
312.15506	0.5
325.02377	0.3
330.06104	0.3
347.23013	2.6
348.07059	9.1
348.11621	0.4
348.19928	0.3
348.23724	2.4
349.07422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.4
57.03428	0.8
58.06602	10.0
59.59372	0.8
60.04528	7.5
61.02932	2.4
67.05515	0.8
69.03435	4.0
69.07056	0.9
70.06593	4.5
71.05003	1.3
71.44130	0.7
72.08157	2.8
73.02898	0.7
79.05496	1.5
81.03425	2.4
82.06590	1.0
84.04508	2.5
84.08135	4.5
85.02910	14.6
86.09708	100.0
87.10054	1.9
91.03964	1.1
91.05480	11.1
91.06042	0.7
93.07027	1.2
94.06574	0.7
95.04979	2.8
97.02897	4.9
98.09723	1.8
102.05540	1.9
105.07011	0.9
106.05029	1.6
108.08112	4.4
109.02877	1.2
110.06052	0.8
110.07172	1.1
110.09658	1.0
112.03976	2.9
113.66412	0.7
116.07076	0.9
116.40971	0.6
117.57741	0.7
119.04948	9.8
120.08110	2.9
126.09159	5.5
127.03926	2.7
128.10707	2.2
129.10248	0.9
130.05016	0.9
135.08018	0.7
136.05231	1.4
136.06180	17.9
144.10202	21.2
144.11296	1.4
145.04958	3.8
145.50591	0.7
151.07544	83.0
152.07907	1.9
169.07057	1.4
169.08583	8.3
173.12839	3.3
180.08772	1.1
186.11266	1.2
187.07872	0.8
188.07150	0.7
193.08566	1.3
197.12952	0.9
201.12334	4.9
217.08258	0.8
219.13362	6.6
225.12350	10.9
243.13400	1.2
252.19699	1.0
268.22717	0.8
270.09778	1.1
270.20587	2.4
288.21722	3.9
312.21622	2.8
330.12210	1.4
330.16617	4.1
330.22693	5.8
348.17542	5.7
348.23785	80.4
349.24152	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	348.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.3
55.36057	0.2
56.05034	0.9
58.06599	11.5
67.05499	0.8
68.05030	0.3
69.03457	0.3
69.43520	0.3
69.93961	0.7
70.06589	0.5
72.08152	1.1
79.05503	0.6
81.07054	0.7
82.06566	0.5
83.04961	0.3
83.08615	0.2
84.08133	3.2
85.02891	0.2
86.06068	0.5
88.07619	0.4
91.05454	0.4
93.07047	0.8
95.04996	0.4
95.08597	0.5
96.08118	0.6
97.02891	0.3
97.06498	0.2
98.09676	0.8
100.07619	0.6
105.07079	0.3
107.08609	0.6
108.08099	4.7
109.10117	0.3
110.09677	1.2
115.54141	0.2
119.08559	0.5
124.11189	0.3
126.09142	7.1
128.10742	1.0
133.05093	0.2
136.06187	4.0
143.04935	0.2
144.10188	27.8
145.10513	0.7
152.10753	0.3
155.78734	0.2
167.00162	0.2
234.18636	0.5
250.21736	0.4
252.19598	1.8
268.22699	1.0
270.20587	2.8
286.23856	0.8
288.21680	4.6
294.20624	0.5
312.21689	3.4
330.22739	8.0
331.23047	0.6
348.23776	100.0
348.98929	0.4
349.08936	2.4
349.19955	0.5
349.24084	5.7
350.84451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2535
Annotation	Dictysine
Peak:m/z	Relative Intensity
55.05507	5.4
58.06583	2.0
67.05507	6.5
70.06597	20.8
70.74243	1.3
71.13670	1.6
79.05499	1.7
81.07048	6.6
83.08609	1.7
84.08159	1.2
91.05474	1.9
92.18752	1.3
95.08604	5.6
96.08116	2.2
98.09717	2.2
100.11262	4.1
104.99223	1.5
107.08585	2.1
109.10184	1.5
111.04487	1.5
114.09184	1.5
123.04438	15.0
128.07082	2.5
136.06192	4.6
137.05968	1.7
144.10217	2.4
149.05971	2.8
161.05887	1.5
163.07549	2.0
179.43127	1.3
182.15436	2.3
199.18068	2.2
210.14926	3.4
276.73517	1.7
330.24295	54.4
331.24631	5.5
348.25336	100.0
349.25650	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	348.2534
Annotation	Dictysine
Peak:m/z	Relative Intensity
52.20661	0.5
53.27539	0.5
55.01863	0.7
55.05509	1.2
57.03429	1.3
58.06598	1.1
64.84126	0.5
65.03943	0.8
67.05499	4.5
69.07068	1.6
69.25545	2.6
70.06583	2.5
71.04990	0.8
72.08164	1.9
79.05503	2.8
81.07055	3.6
81.80212	0.5
83.04969	1.4
83.08109	0.5
83.08580	0.7
84.08146	2.1
86.09687	0.9
87.76809	0.5
91.04939	1.0
91.05486	15.5
92.05828	0.8
93.07054	2.9
95.04970	100.0
95.08617	1.6
96.05305	2.1
96.08132	0.8
97.06532	1.3
98.09695	3.9
102.09178	10.5
105.03403	1.0
105.07029	2.4
107.07375	0.5
107.08610	2.1
107.85759	0.5
109.06509	0.9
109.10187	0.6
110.09696	1.2
114.09167	2.0
117.07003	2.8
119.08589	1.8
121.10157	0.9
122.09682	3.5
123.10477	1.4
128.10716	9.3
129.06985	1.5
131.08571	1.6
133.10187	1.0
135.07991	0.8
135.11711	0.7
136.06186	1.9
140.10695	1.2
141.07011	0.6
143.08585	1.0
145.01276	0.5
145.10074	0.7
147.11699	0.8
157.10127	3.3
159.11703	0.6
173.05185	0.6
173.13280	0.6
175.11160	1.3
227.14281	0.6
247.20572	0.6
257.19000	1.0
258.24533	0.5
275.20166	1.3
285.18536	4.4
312.23248	4.8
330.24277	29.4
331.24640	2.5
348.25311	48.6
348.28943	3.8
349.19980	8.7
349.25195	3.2
368.26074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.9
55.05503	50.1
57.37544	6.0
58.27629	5.4
67.05502	75.9
69.07048	19.3
70.07742	5.4
70.73707	8.8
71.05009	9.2
71.08634	20.7
79.05489	40.6
81.07051	88.6
83.04978	8.2
83.08616	34.1
85.63736	5.5
91.05470	33.7
93.07057	55.6
95.04964	17.0
95.08598	29.8
97.06517	9.7
97.09392	4.9
97.10159	18.7
99.08104	14.9
105.07021	16.1
107.08600	31.6
109.10147	34.0
111.08062	8.9
117.07024	10.1
119.08566	17.0
121.10137	19.4
123.11676	8.3
125.09624	17.0
131.08716	6.9
133.10130	17.9
135.11679	17.1
139.11130	7.8
145.10150	6.3
147.11650	8.6
149.13232	50.1
151.11159	15.5
155.10692	16.1
159.11685	17.7
161.13274	6.8
163.11151	7.0
171.11736	5.7
173.11787	35.1
177.12753	16.8
189.11218	23.6
195.13800	100.0
213.14851	56.4
277.21616	56.3
295.22626	15.1
320.96188	6.1
330.24036	10.4
348.25287	8.4
349.19876	77.5
349.23761	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	348.2745
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03949	0.5
55.05512	8.1
56.05041	1.3
57.03442	2.2
57.69706	0.5
58.06602	3.2
67.05504	24.4
69.03436	1.1
69.07069	6.1
69.19006	2.6
70.06591	15.5
71.04993	1.2
72.08171	2.4
74.06085	1.2
79.05497	6.8
81.07053	30.9
82.06597	0.8
82.07388	0.7
83.04986	0.9
83.08610	4.6
84.04496	1.0
84.08130	3.0
85.02935	0.6
85.06540	1.5
86.09712	2.7
87.04471	1.6
91.05482	2.7
93.07046	7.7
95.05001	0.9
95.08604	29.3
96.08163	0.8
96.08978	0.9
97.06545	1.1
97.10192	2.3
98.09706	1.9
99.08098	0.6
101.06030	0.7
104.05377	0.8
105.06979	1.0
107.08588	4.4
109.10149	14.8
110.09652	0.9
111.11781	0.6
115.03925	0.6
119.08574	1.1
120.08105	0.8
121.10155	4.3
123.04470	2.3
123.11719	4.4
128.10696	0.9
133.10172	1.4
135.11676	3.6
136.06241	1.7
137.13240	0.9
140.04843	0.6
147.11731	0.9
149.13261	3.5
157.13406	0.9
164.07491	1.5
170.15440	0.6
173.13049	0.6
175.14824	0.6
184.17131	0.8
185.12819	0.7
231.21291	0.6
238.25519	0.6
248.23747	0.8
249.22380	0.8
250.25281	23.3
251.25667	1.2
266.24774	29.2
267.25327	1.3
268.26495	1.5
276.23337	1.6
284.26004	1.5
294.24295	3.0
295.22775	2.4
302.26874	0.7
306.14679	0.7
312.25311	27.9
313.25769	2.0
330.26477	42.6
331.26862	2.8
348.27582	100.0
349.07062	0.9
349.27838	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	348.2746
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
51.00737	0.6
51.27976	0.4
52.55390	0.4
55.01867	0.8
55.05511	3.7
56.05037	1.4
56.74529	0.4
57.03432	1.8
58.06596	4.6
65.03935	0.7
67.05505	17.4
69.03434	0.9
69.07069	2.5
69.31361	2.2
70.06591	6.5
71.04991	3.6
72.08151	1.8
74.06081	2.7
79.05489	10.0
81.07056	12.1
82.06590	0.8
83.04987	0.8
83.08609	2.3
84.04519	2.0
84.08146	1.8
85.02913	1.2
85.06551	1.2
86.06085	0.6
86.09701	2.9
87.10030	0.5
91.05479	4.8
93.07047	5.6
94.06564	0.9
95.04963	1.1
95.08605	11.8
96.08943	0.4
97.02898	0.7
97.06529	1.6
98.09737	0.5
99.08070	0.5
100.11247	2.9
103.03936	0.5
104.05305	1.0
105.07027	3.2
107.08588	8.8
109.06505	1.4
109.10151	9.6
111.08082	1.3
117.07027	0.8
119.08556	2.4
120.08067	0.7
121.10175	3.0
123.08090	0.7
123.11671	0.7
124.11246	1.5
125.09592	1.0
128.07140	0.6
131.08575	1.8
131.27579	0.5
133.10129	2.0
135.08046	0.5
135.11679	1.5
136.06187	2.0
137.09656	1.1
140.38879	0.4
145.10143	1.4
147.11700	1.2
149.09549	0.5
149.13263	0.5
151.11177	0.7
155.10704	0.7
157.09976	0.4
159.11679	0.9
172.11501	1.1
173.11749	1.2
175.14842	0.6
187.14641	0.6
188.14757	0.5
201.16217	0.5
210.14877	0.8
215.12093	0.7
217.13719	1.3
227.17551	0.7
237.18651	0.7
245.13164	0.6
248.48381	0.5
274.40506	0.4
276.23184	1.1
276.72827	1.3
277.21558	0.5
294.24243	5.4
309.24713	0.5
312.25327	11.6
313.25549	0.7
330.22690	0.8
330.26392	12.5
331.26779	0.7
340.25967	0.6
348.27438	100.0
349.07022	0.9
349.27707	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	348.2897
Annotation	Anandamide
Peak:m/z	Relative Intensity
55.05550	1.1
56.05038	2.0
57.03479	1.0
57.07106	0.5
58.02990	0.5
58.06610	1.6
65.03973	0.5
67.05509	2.2
68.05059	0.3
69.07115	1.0
70.06597	2.3
71.05051	1.0
71.07416	0.4
71.14355	0.4
72.08208	1.1
72.71137	0.3
79.05541	1.3
81.05830	0.4
81.07063	2.1
82.06221	0.3
82.06588	1.6
83.05034	0.7
83.08657	0.9
83.28984	0.3
84.08139	5.3
85.06596	0.6
86.09745	0.6
88.07648	1.7
91.05482	22.3
92.05864	0.7
93.07109	1.2
94.06602	0.5
95.05018	0.5
95.07412	0.6
95.08659	1.5
96.08154	3.8
97.06538	2.0
98.09758	0.5
104.99301	0.3
105.07028	2.4
107.08651	0.8
108.08125	1.7
109.08953	0.6
109.10204	0.4
110.09682	3.3
112.07674	0.3
114.09241	1.2
115.91363	0.3
117.07006	2.1
119.08614	0.5
120.42042	0.3
122.09731	1.4
124.11265	1.6
128.10722	1.6
129.06995	0.4
131.08565	2.2
133.69765	0.3
136.11234	0.3
145.10204	0.5
154.12282	0.4
160.90918	0.3
164.59128	0.3
173.14334	0.3
177.17706	0.3
219.80922	0.3
258.22272	0.5
272.23712	2.2
284.62543	0.4
286.25217	0.4
299.23721	0.8
310.25302	0.7
312.26871	12.7
313.27274	0.8
330.27917	50.7
331.28290	5.1
348.28958	100.0
349.29291	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	348.2899
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05512	1.2
56.05032	1.4
57.03417	1.6
58.06390	0.4
58.06604	4.4
60.19624	0.4
67.05511	3.1
69.07078	1.2
69.89693	1.2
70.06580	1.9
72.08157	1.9
79.05481	1.3
79.59026	0.4
80.94827	0.6
81.07061	3.1
83.08605	0.8
84.08142	8.5
85.06566	0.9
88.07631	1.0
91.05459	0.6
93.07056	0.8
95.08607	2.6
97.10155	0.7
98.09709	1.1
98.23356	0.6
104.99263	1.1
107.04955	19.4
107.08619	0.5
109.10146	1.6
112.11230	1.4
121.06479	1.0
130.08650	0.7
133.06482	1.4
147.08041	1.6
155.10773	0.6
173.11757	2.3
181.14697	0.4
214.19954	0.5
262.98227	0.5
277.21548	0.4
330.27902	26.1
331.28152	1.8
348.28961	100.0
349.19656	0.8
349.29337	9.8
357.16367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2898
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05500	0.8
56.05039	1.5
57.03428	0.7
57.67792	0.2
58.06597	2.2
67.05217	0.2
67.05509	2.3
69.07051	0.8
70.06291	0.2
70.06595	2.5
70.52054	0.3
72.08134	0.8
73.26494	0.2
76.26629	0.2
79.05470	1.0
81.07067	2.6
82.06590	1.3
82.12416	0.2
83.04963	0.2
83.08630	0.3
84.08138	4.3
85.06515	0.3
88.07618	0.8
91.05475	7.9
93.07037	0.7
94.06568	0.2
95.07330	0.6
95.08614	1.9
96.08140	1.2
97.06534	1.3
97.08926	0.2
98.09684	0.5
101.85346	0.2
105.07019	0.8
107.04946	1.5
107.08561	0.3
108.08104	1.0
109.10146	0.6
110.09676	8.6
111.10549	0.3
112.10488	0.4
112.11237	6.9
114.09167	0.4
117.07034	2.1
121.10113	0.3
124.11267	0.3
126.12792	0.5
128.10712	26.6
129.11061	0.7
131.07675	0.3
131.08571	2.5
136.06219	0.2
145.10234	0.2
219.16141	0.2
245.98996	0.2
286.27286	0.3
312.26852	4.1
313.27069	0.4
330.27899	13.8
331.28238	1.2
348.28928	100.0
349.24951	0.3
349.29272	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	348.29
Annotation	Anandamide
Peak:m/z	Relative Intensity
54.88022	0.4
55.05511	1.0
56.05039	2.9
57.03429	1.6
58.06388	0.4
58.06607	4.7
60.44013	0.3
62.98526	0.4
67.05503	4.1
69.07084	0.5
70.06606	2.8
70.72331	0.6
71.07376	0.8
72.08157	1.6
79.05504	2.5
81.07063	3.7
82.06562	0.5
84.08141	9.7
88.07618	1.0
91.05482	16.7
93.07046	1.3
95.08623	3.0
96.08147	1.2
97.06543	0.5
98.09710	1.0
98.23295	0.5
105.07007	1.7
107.04953	1.3
107.08595	0.7
109.10166	0.8
110.09651	2.0
112.11259	1.6
114.09155	0.9
117.07021	9.3
124.11178	0.5
128.10725	10.8
129.07025	0.8
129.12537	0.5
131.08531	3.5
135.11682	0.4
135.85661	0.4
138.12764	0.4
143.08539	0.6
145.10207	0.5
258.22189	0.4
259.27652	0.4
312.26859	16.6
313.27191	1.0
330.27902	40.6
331.28268	2.6
348.28967	100.0
349.25037	0.5
349.29309	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	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
51.90127	1.0
69.13249	2.0
69.13656	4.8
85.02913	1.5
139.41315	0.8
169.02666	1.6
171.04205	5.2
185.04224	2.8
187.03687	7.9
212.39885	1.0
247.67345	0.9
348.23822	1.9
348.99509	2.2
349.08945	100.0
349.24146	4.0
350.09219	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	349.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	0.8
65.66214	1.0
69.07049	1.3
70.06593	5.0
70.69179	1.7
71.04979	0.9
72.08145	1.4
74.83027	0.8
80.97053	0.8
81.07041	2.3
81.12148	0.8
82.65538	0.7
84.08134	1.7
85.02918	0.9
86.09682	4.5
88.03999	1.1
98.09705	1.2
110.61465	0.8
111.08152	0.8
120.08138	1.4
131.03392	2.2
131.34630	0.8
132.10246	1.0
144.10149	0.8
147.04419	2.4
169.12212	2.1
172.06027	2.4
185.04210	41.1
186.04483	1.3
187.03645	12.1
190.07126	2.0
193.91243	1.0
201.12378	1.7
203.10286	1.1
216.12260	2.6
222.10460	0.8
237.08875	0.8
349.08847	100.0
349.12640	38.3
349.18118	3.4
350.09189	6.9
350.13010	2.1
350.20474	4.7
369.73999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02252	0.5
54.10847	0.4
56.05021	1.3
58.06594	0.6
60.04515	0.8
64.23177	0.4
69.95915	0.9
69.96221	0.8
70.06586	3.3
72.08139	2.3
73.08521	0.5
74.06085	0.7
77.57710	0.4
84.04505	2.2
84.08145	2.6
86.09707	2.4
86.31763	0.5
88.03962	0.7
91.05521	0.6
97.02851	0.6
98.97558	0.6
104.05282	0.6
105.07008	0.6
107.04952	0.6
110.07115	0.7
116.07048	1.0
120.08073	0.9
129.10207	0.9
132.08151	0.6
136.06165	2.0
136.07585	2.3
137.06505	1.5
138.05481	1.4
144.06537	0.6
159.09210	0.5
173.12834	0.8
187.09427	6.9
201.12560	0.6
247.10695	0.6
261.05707	0.5
272.98053	0.5
275.06985	0.5
348.23560	0.5
349.14639	100.0
350.14865	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69211	0.5
55.05514	1.2
56.05035	0.6
57.03437	0.8
57.08876	0.6
67.05499	5.7
69.03416	0.6
69.07062	1.0
69.24731	3.2
70.06577	1.9
71.04971	0.6
72.08150	1.0
77.03914	0.7
77.88145	0.6
79.05492	2.6
81.07064	5.4
83.04971	0.7
84.08128	1.5
85.02919	4.7
85.06502	0.5
91.05470	3.2
93.07053	2.9
94.06551	4.1
95.04986	1.4
95.08598	2.4
97.02900	0.8
97.06530	1.0
98.09698	0.7
105.07030	1.9
107.04958	2.2
107.08600	1.7
109.02864	1.0
109.06506	1.1
109.10166	0.6
110.09678	1.6
114.09169	0.7
117.07018	0.9
119.08573	1.6
121.06476	0.7
121.10108	1.0
122.06032	11.1
123.04404	0.7
123.11698	1.5
125.75418	0.7
127.03893	0.8
128.04723	0.5
128.10728	10.0
131.08553	0.9
133.10117	0.8
135.11662	0.6
136.07574	52.7
137.07903	0.9
140.07066	1.9
142.12254	0.6
145.04967	0.8
145.06471	1.1
145.10123	2.2
147.11705	0.9
149.13145	0.6
159.11789	1.1
164.07063	100.0
165.07448	3.6
173.09624	1.4
173.13228	0.8
196.09692	68.2
197.10027	2.4
244.22844	0.6
247.47234	0.6
275.20105	1.1
331.24594	2.9
332.25812	2.3
349.07016	0.7
349.20026	3.2
349.25888	9.2
350.26733	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	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70357	3.7
51.37869	5.0
51.85134	4.1
55.05507	9.9
56.69423	3.5
56.96565	12.8
57.03432	6.6
57.61728	3.5
58.75970	3.6
67.05511	25.8
69.07076	11.1
69.49240	14.4
72.08163	7.2
78.92934	4.5
79.05510	28.2
80.57687	3.9
80.94875	10.1
81.07055	100.0
81.07507	7.9
83.08620	5.2
84.08134	5.8
91.05472	24.8
93.07054	18.0
95.04972	9.9
95.08615	18.3
96.77788	4.2
97.06565	6.2
98.23384	6.7
104.99269	12.6
105.07048	17.4
107.08629	14.1
109.06517	35.5
109.10130	5.6
113.22319	4.7
117.06964	4.5
119.08568	14.5
121.10178	8.6
123.08097	5.8
126.59116	4.2
127.32281	4.4
131.08562	11.0
133.10143	10.3
135.11711	4.8
139.47231	4.0
145.10143	10.2
147.11687	7.6
149.13295	7.0
150.42931	4.1
159.11784	5.9
159.59496	4.2
160.03923	5.9
163.11232	5.2
212.47621	4.5
219.77040	5.0
228.23294	4.6
247.20732	5.2
257.19174	6.5
266.97632	5.1
275.19983	37.0
277.11133	4.3
281.10361	4.5
331.15720	21.3
331.28391	9.7
348.29236	20.2
349.17325	54.7
349.23801	20.4
349.29282	66.0
350.26862	6.8
350.30539	14.1
367.18048	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	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16700	3.6
55.05509	6.3
56.96574	41.1
57.07070	8.0
59.68184	3.1
67.05496	14.9
69.03428	11.2
69.07044	5.7
70.06587	16.1
70.95442	5.2
71.06925	6.9
71.95256	4.7
72.08137	4.9
77.79012	3.7
79.05495	9.7
81.07066	18.4
88.07635	15.0
89.08001	5.4
91.05470	7.8
93.07031	8.7
95.08601	12.6
97.96816	15.4
98.09732	4.8
102.09186	9.3
103.09535	6.9
105.07008	7.8
107.08620	7.4
108.27321	3.5
110.97583	10.8
115.97804	4.2
117.06982	3.8
119.08575	5.8
123.08054	4.0
128.98592	12.1
131.08545	8.0
133.10144	4.2
137.02721	5.5
142.12286	7.0
146.99652	4.5
147.11665	5.2
147.71413	3.6
165.84991	4.2
168.00375	4.2
171.03241	4.5
185.04863	7.4
199.06375	5.9
203.05894	5.0
213.08006	7.3
223.10114	5.2
231.09090	5.2
239.09502	15.3
241.11124	62.9
242.08336	7.4
253.11111	4.9
257.19037	3.6
259.12198	45.8
269.10574	8.6
275.20105	4.8
280.09735	5.5
284.29410	4.0
285.10074	4.8
285.29688	7.2
286.30115	26.6
287.30356	4.9
298.10806	7.6
331.15918	10.2
348.29337	4.5
348.33786	92.1
349.17023	65.6
349.23434	7.8
349.29092	18.3
349.34021	27.7
350.30447	50.8
367.17932	100.0
368.18030	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86299	0.5
53.03946	0.7
53.18034	0.4
55.01857	1.8
55.05511	1.4
57.03426	1.8
58.06585	0.7
59.54843	0.5
60.97475	0.4
66.87936	0.5
67.05503	4.1
67.71181	0.5
69.07058	1.8
69.19595	2.6
71.08646	0.7
79.05489	5.6
81.03413	1.0
81.07056	11.5
81.07507	1.0
81.51318	0.5
83.08621	1.2
85.06542	0.8
86.41455	0.5
91.05476	3.5
93.07048	3.3
95.04969	1.1
95.08607	2.7
97.06509	2.4
98.23535	0.9
103.28964	0.5
104.81688	0.4
105.07016	2.7
107.04971	0.7
107.08618	2.3
109.06516	4.9
109.10159	0.9
111.08099	0.6
115.72435	0.5
117.07030	1.1
119.08533	2.4
121.10156	1.6
123.08079	0.8
127.17258	0.5
131.08582	1.3
133.10147	1.4
135.11691	1.1
145.10101	1.3
147.11697	1.3
149.09628	1.0
149.13264	0.6
159.11745	0.6
163.11166	0.7
177.12758	0.8
213.66081	0.5
219.17422	1.5
247.20569	0.9
257.19098	0.6
275.20071	4.5
349.19855	100.0
349.23450	4.4
350.15927	0.8
350.20111	6.6
350.30322	2.5
369.72025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05516	7.2
57.03440	5.2
57.07077	0.9
58.06594	0.8
65.03973	0.7
67.05508	14.5
68.05833	0.8
69.07072	7.0
69.75266	1.8
71.05011	0.7
71.08624	0.7
72.08165	1.1
79.05498	13.0
81.07060	14.1
82.06580	0.7
83.04988	1.8
83.08623	2.5
84.08127	1.6
85.06528	1.2
91.05483	17.0
92.05818	1.2
93.07055	10.8
95.04983	4.4
95.08604	8.7
97.06551	3.0
97.10184	1.5
98.09675	0.8
99.08119	0.8
105.07029	17.1
107.04980	2.3
107.08590	10.0
109.06498	2.4
109.10133	3.9
110.09693	0.9
110.10473	0.9
111.08095	1.2
113.09654	0.9
115.05450	0.8
117.07031	8.5
119.08596	13.2
121.06544	1.3
121.10145	3.8
123.11729	1.3
125.09642	1.6
127.07629	0.7
128.10719	5.4
128.11557	0.9
129.07014	3.2
131.08572	10.7
133.10130	10.6
135.08002	1.2
135.11719	2.6
137.09601	0.9
141.07014	0.8
141.08102	0.7
142.07767	0.7
143.08577	2.8
145.10129	15.5
145.11221	1.1
147.08134	1.2
147.11688	7.5
149.09634	3.2
149.13312	1.0
155.08601	1.4
157.10168	4.8
159.11687	13.3
159.12910	0.8
160.12163	0.8
161.13271	3.8
163.11189	1.8
169.10120	2.1
171.11722	2.1
173.11743	2.9
173.13289	4.9
174.12094	1.0
175.11249	1.0
175.14903	1.3
183.11705	2.1
185.13275	2.5
187.03035	0.8
187.11165	1.3
194.04630	0.8
197.13316	1.7
215.17989	1.6
219.17346	1.4
229.19498	1.2
234.43698	0.7
239.17926	6.1
247.20529	1.2
257.18985	15.9
263.12457	1.1
275.20093	16.2
278.21927	0.9
331.24283	0.9
349.19846	100.0
349.23849	29.3
350.20358	6.8
350.23761	1.8
350.27100	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.5
56.81017	0.3
57.03428	1.1
57.07078	0.3
58.06602	0.4
62.97234	0.3
67.05505	2.3
69.07067	0.9
69.93635	0.4
69.93964	0.5
70.06580	0.4
71.05001	0.3
72.08157	0.8
79.05499	2.5
81.07065	3.8
83.04996	0.4
83.08630	0.5
83.90787	0.2
84.08138	0.3
91.05478	2.9
93.07050	2.6
95.04963	0.8
95.08597	1.7
97.06519	0.8
98.09697	0.9
98.22771	0.4
102.09167	0.3
105.07037	2.6
107.04938	0.3
107.08620	1.6
109.06529	0.7
109.10167	0.4
110.09705	1.0
110.67783	0.3
114.09183	0.6
117.07037	1.2
119.08588	1.9
121.06516	0.3
121.10141	0.8
123.08002	0.3
124.11263	0.3
128.10725	6.7
129.06993	0.6
129.37292	0.3
131.08549	1.3
133.10149	1.4
135.11659	0.6
136.48343	0.3
137.05716	2.9
137.09599	0.3
143.08589	0.4
144.10245	0.9
145.10152	1.7
147.11708	1.2
157.10172	0.5
159.11769	1.6
161.13226	0.4
163.11256	0.4
173.13240	0.8
177.12692	0.4
185.13290	0.4
197.13383	0.4
199.14917	0.3
201.16423	0.3
212.93594	0.4
219.17485	0.3
221.11555	1.0
235.13066	1.1
239.17871	0.5
242.24918	0.6
243.25244	0.3
247.20674	0.4
251.22986	0.3
253.12860	0.3
257.19016	1.2
275.20041	2.3
331.18689	0.5
331.83670	0.3
347.96368	0.3
348.28952	1.0
349.19861	100.0
349.23529	4.8
349.29153	3.2
350.20160	6.2
350.26822	2.5
350.30585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
57.03430	0.9
58.06583	0.3
65.03969	0.3
67.05503	1.9
69.07053	1.1
69.94269	0.8
70.06591	0.4
72.08173	0.3
73.02901	0.3
76.41566	0.3
79.05494	1.8
81.07059	2.1
82.07413	0.2
83.04958	0.4
84.08141	0.3
85.06515	0.3
85.88142	0.3
88.07626	0.4
91.05481	2.5
93.07056	1.7
95.04971	0.6
95.08608	1.5
97.06555	0.6
98.09675	0.7
105.07028	2.3
107.04939	0.3
107.08600	1.5
109.06514	0.6
109.10175	0.8
109.75291	0.3
110.09675	0.7
113.71115	0.3
117.07024	1.1
119.08577	1.2
121.10141	0.8
128.10715	4.4
129.06943	0.5
131.08583	1.3
133.10146	1.1
135.11700	0.4
137.05725	2.6
142.12314	0.3
142.37556	0.3
143.08546	0.4
144.10219	0.6
145.10197	1.4
147.11697	0.6
149.13246	0.3
157.10181	0.5
159.11687	0.4
163.11214	0.4
173.13235	0.3
221.09549	0.3
221.11540	0.7
235.13055	1.6
257.19055	0.9
258.19159	0.3
275.20032	2.3
331.19012	0.7
348.29184	1.2
349.19855	100.0
350.20221	5.9
350.26956	1.1
350.30579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05354	1.0
60.05649	16.5
69.79372	1.7
70.06593	31.5
71.04988	0.6
72.08142	2.1
96.63485	0.5
112.08723	1.3
114.10338	0.6
116.07092	14.4
130.09769	5.9
136.06187	1.7
137.06496	1.7
141.01724	0.5
142.89690	0.4
157.10815	1.4
158.09264	4.5
174.89624	2.4
175.11903	100.0
176.12222	2.1
187.05682	0.5
192.69115	0.6
196.04645	0.6
206.87076	0.6
213.07422	1.0
230.05009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65214	0.4
53.70644	0.5
56.56651	0.4
60.05649	17.5
60.17308	0.4
60.20647	0.4
70.06592	31.4
70.39146	0.8
70.52573	0.4
72.08154	1.6
74.50982	0.5
80.29298	0.4
86.09683	0.8
86.78606	0.4
88.07604	0.4
97.07690	0.5
103.24804	0.4
112.08740	2.1
115.08680	0.7
116.07096	14.6
119.62767	0.4
130.09760	5.9
136.06177	2.6
137.06535	1.3
157.10828	1.5
158.09251	5.5
175.11903	100.0
176.12299	2.4
178.72575	0.4
180.47429	0.4
237.08060	0.5
246.81010	0.4
247.48146	0.5
350.16376	0.5
362.66989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07462	0.9
56.20645	0.9
60.05653	18.8
69.64135	3.2
70.06593	33.5
72.08158	1.3
79.84936	1.0
106.19252	1.0
112.08730	1.5
116.07086	13.6
130.09778	6.7
157.10841	1.5
158.09259	4.6
174.89566	2.7
175.11909	100.0
176.12260	1.6
182.59419	0.9
186.70964	1.1
193.78038	1.0
213.07317	1.5
214.49413	1.0
251.03050	2.1
336.13702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
54.44334	1.5
55.01867	5.5
55.05515	22.4
57.03433	26.5
58.03476	1.9
58.80188	1.7
65.03938	2.5
67.05507	38.9
67.63206	1.5
69.03423	2.4
69.07067	20.1
69.80486	5.1
70.06577	2.7
71.04990	3.9
72.08157	4.7
79.05489	49.5
80.05815	1.9
81.03399	2.6
81.07054	53.8
83.04996	5.3
83.08608	10.5
85.06544	6.9
85.71518	1.8
86.09715	7.0
91.05473	58.2
92.05827	2.2
93.07042	44.7
93.07603	3.3
95.04961	14.2
95.08611	33.1
96.05258	1.7
97.06545	10.0
97.10186	4.2
98.09713	2.2
98.23361	2.1
99.08071	3.0
105.04482	3.3
105.07024	69.8
107.04942	5.9
107.08586	39.8
109.06516	12.2
109.10148	13.7
110.09663	3.5
111.08096	3.3
115.05440	2.6
117.07005	28.5
119.08573	52.2
120.08109	3.7
121.06465	4.0
121.10140	15.4
123.08107	4.7
123.11729	2.5
125.09630	3.7
128.06219	4.7
128.10727	23.4
129.05460	1.9
129.07004	14.1
129.11043	2.2
131.08565	31.1
132.09239	1.6
132.10207	5.7
133.10129	35.7
135.08044	3.0
135.11723	8.0
137.09586	4.2
141.06941	3.0
143.08551	13.4
144.09328	2.0
145.10124	58.2
147.11678	28.2
149.09616	12.3
149.13268	3.8
155.08565	3.7
157.10159	16.9
159.11690	41.8
161.09637	4.8
161.13243	10.8
163.11200	6.2
169.10118	5.9
171.11739	9.6
173.13260	15.1
175.11319	3.2
175.14845	4.8
177.12729	3.4
179.14378	1.7
183.11716	6.1
185.13275	19.4
187.11154	2.2
187.14833	2.3
191.14297	2.0
197.13277	7.6
201.16434	3.1
203.14275	8.8
211.14929	3.0
213.16420	1.8
215.18044	4.0
219.17436	12.5
225.26744	1.7
229.19574	6.5
239.17960	18.8
240.18059	2.7
257.18997	47.2
258.19363	2.8
258.24356	6.2
275.20044	43.6
276.20456	3.4
277.17908	3.7
331.22552	3.5
331.24429	2.8
332.25763	4.5
339.96252	1.7
349.07059	1.7
349.19763	75.0
349.23788	100.0
350.20142	6.4
350.23587	2.8
350.27344	5.7
350.29044	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03941	1.6
55.01875	6.9
55.05512	18.9
57.03437	17.7
57.07063	3.1
65.03936	2.4
66.46383	0.5
66.99377	0.5
67.05505	39.3
68.05827	0.6
69.03423	2.0
69.07066	20.1
70.06599	0.8
70.07404	0.6
70.14635	1.2
71.04980	2.8
72.08145	1.6
77.03912	0.7
79.05493	39.8
80.05807	0.6
81.03422	2.2
81.07058	46.7
82.07380	1.2
83.04981	8.9
83.08620	6.3
85.06544	2.5
91.05479	34.4
92.05811	0.9
93.07044	37.4
94.07383	0.9
95.01310	0.7
95.04971	11.4
95.08607	25.3
97.06536	6.3
97.10184	4.9
98.09676	1.0
99.08070	0.9
103.05479	1.1
105.04526	1.5
105.07030	37.5
106.07371	1.1
107.04957	12.5
107.08595	29.9
108.08900	0.7
109.06524	14.8
109.10155	10.8
111.04436	0.5
111.08078	2.0
115.05447	1.1
117.07021	12.3
119.08583	21.5
121.06504	13.4
121.10145	14.2
123.08066	6.0
123.11718	3.9
125.09630	2.9
128.06171	1.0
128.10718	4.1
129.07016	4.2
129.11050	0.6
130.07813	1.1
131.08562	20.8
132.08925	0.7
133.06509	3.4
133.10129	23.2
134.10483	0.6
135.08057	6.5
135.11687	7.6
137.09610	3.2
139.07558	0.6
141.06963	1.8
142.07719	0.7
142.12329	0.8
143.08565	5.5
144.10231	0.9
145.06500	1.6
145.10126	27.2
146.10509	1.9
147.08049	3.7
147.11682	15.2
149.09627	10.0
149.13264	4.8
151.11197	6.0
151.45270	0.6
155.08517	2.1
157.10085	3.8
159.08072	1.5
159.11696	11.6
160.12051	0.8
161.09612	4.2
161.13235	5.0
163.11186	8.0
163.14793	1.1
165.12767	1.7
169.10156	1.9
171.10384	0.8
171.11629	3.9
173.09663	2.2
173.13243	6.4
175.11179	2.3
175.14804	1.5
177.12746	3.5
179.14267	1.2
183.11635	3.4
185.13274	2.7
187.11192	2.6
187.14812	1.7
189.11203	2.5
189.12788	1.5
191.14290	2.7
193.15904	0.7
197.13205	2.8
199.14851	0.9
201.12720	3.3
201.16359	0.9
203.14349	1.0
205.15758	0.8
205.19510	1.2
207.13818	3.2
213.16345	0.8
215.14296	1.3
215.17920	1.8
217.15768	0.6
219.13837	3.7
219.17401	1.6
229.19435	3.2
231.17516	0.6
233.15240	0.9
233.19000	1.4
239.17949	6.5
247.20685	4.2
248.20909	0.7
257.19000	21.8
257.21707	1.3
258.19412	1.3
275.20059	100.0
276.20444	7.5
293.21103	10.1
323.35974	0.6
331.15628	1.0
331.22598	1.2
332.33752	0.6
349.19751	34.0
349.23743	54.9
349.29089	8.7
350.20053	2.8
350.24091	4.4
350.30652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.7
55.01872	17.5
55.05516	22.5
57.03438	20.4
67.05509	85.7
69.07073	55.0
69.88705	11.5
78.83738	5.5
79.05499	63.7
80.94880	16.7
81.03419	38.5
81.07056	82.5
83.04976	10.3
83.08628	16.5
84.08160	11.3
91.05488	85.5
93.07049	55.1
95.01336	24.9
95.04992	16.6
95.08604	67.7
97.06536	26.1
97.10159	6.9
104.99296	8.9
105.06994	75.3
107.04969	43.2
107.08621	28.3
109.06547	8.7
109.10133	9.7
111.08202	6.7
111.39370	5.9
117.07040	20.6
119.08582	50.4
121.06531	8.6
121.10137	11.2
123.08089	10.7
127.93764	5.8
128.10759	21.7
129.07047	6.5
131.08589	30.7
133.10132	64.2
133.18333	5.6
135.08180	7.4
135.11728	13.8
145.06468	13.1
145.10150	22.7
147.11682	21.1
149.09631	9.3
149.13223	8.8
159.11732	25.9
161.13367	8.8
164.92191	6.8
171.12000	18.7
173.13319	6.0
177.12849	9.1
179.14287	27.1
187.11191	13.3
188.22018	6.6
257.19055	10.7
266.97318	7.9
272.95941	8.7
275.20010	61.1
330.32782	6.4
331.28229	11.8
349.23755	67.3
349.29279	100.0
349.33844	17.1
350.24814	9.7
350.30441	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	16.2
55.01869	23.8
55.05512	37.9
57.03426	17.6
66.14864	6.9
67.05505	81.4
69.07082	66.6
69.18724	16.0
69.19124	14.4
69.91074	5.0
71.04996	13.0
79.05498	89.6
80.94868	22.8
81.03418	30.9
81.07060	100.0
83.04986	18.7
83.08639	11.8
85.06548	6.5
91.05479	95.5
92.05817	11.3
93.07048	65.7
95.01336	26.2
95.04980	32.6
95.08606	60.4
96.92208	8.1
97.06526	39.7
97.10155	11.2
104.99263	11.4
105.07025	98.4
107.04935	53.8
107.08584	37.5
109.06551	7.8
109.10159	13.4
111.08107	8.2
117.07015	33.2
119.08601	50.6
121.10148	12.0
123.08059	8.8
125.62772	6.4
128.10725	14.2
129.07062	5.7
131.08563	37.4
133.10136	59.5
135.08052	9.2
135.11662	12.6
139.07544	6.3
145.10129	28.5
147.11685	24.0
149.09706	15.3
149.13225	10.7
155.78285	6.2
157.10022	6.8
159.11673	30.4
161.13292	8.1
171.11859	8.5
177.12671	8.1
179.14325	37.0
248.50175	6.7
254.94780	9.3
257.19064	7.8
275.17139	7.5
275.20053	85.1
331.28333	14.0
349.23715	52.2
349.29276	63.9
349.33871	14.9
350.30457	15.6
354.23309	6.1
366.41812	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03951	15.7
55.01874	17.4
55.05263	1.6
55.05513	26.3
57.03184	1.5
57.03440	19.7
57.07067	2.2
61.12797	1.2
61.51644	1.2
65.03938	3.9
65.88069	1.3
67.05505	74.1
69.03416	3.0
69.07070	69.4
71.04996	3.6
72.08118	1.9
77.03912	2.7
79.05497	64.3
81.03423	32.6
81.07058	100.0
82.07394	2.1
83.04982	12.6
83.08620	12.5
85.06533	2.8
88.07673	1.3
91.05482	72.0
92.05791	2.0
93.07046	66.3
94.07389	1.9
95.01318	22.8
95.04969	22.7
95.08607	62.5
97.06528	25.3
97.10179	3.7
97.32191	1.2
98.09709	2.4
98.22710	4.2
99.08096	2.1
105.04510	4.9
105.07027	87.8
107.04954	39.9
107.07917	2.4
107.08598	29.1
109.06523	16.9
109.10160	11.9
111.04421	1.8
111.08088	5.6
113.09626	1.9
115.05474	2.6
117.07016	21.4
119.08576	49.4
121.06522	6.9
121.10156	12.9
123.04430	5.4
123.08064	11.5
123.11736	4.1
125.09642	3.7
129.07025	5.6
130.07837	1.7
131.05005	1.6
131.08572	32.8
133.06500	3.2
133.10132	56.8
134.10526	2.4
135.08049	6.9
135.11679	14.9
137.09612	6.9
137.98351	1.3
139.07539	2.9
141.07019	4.0
142.12256	2.9
143.08502	6.4
145.06459	4.2
145.10123	27.6
146.10414	1.5
147.08052	2.5
147.11684	24.2
149.09601	10.8
149.13268	9.7
151.11177	3.3
155.08598	3.0
157.10187	3.5
159.11702	21.5
161.13255	9.6
163.11201	8.2
163.14807	2.0
165.09064	3.1
169.10168	6.3
171.11740	6.2
173.13258	5.7
175.11128	1.9
177.12738	10.6
179.14305	29.9
180.14647	1.7
183.11682	2.6
185.13222	1.7
187.11171	8.9
195.13884	2.6
197.13248	3.7
205.12184	2.9
223.13310	1.9
228.95338	1.3
229.19569	3.8
233.15427	1.9
239.17931	5.2
241.14285	2.2
247.20445	3.2
257.18988	8.8
274.10873	1.5
275.20078	67.4
276.20413	4.9
293.21039	3.1
349.17416	4.1
349.19272	1.8
349.23709	55.3
349.27591	2.6
349.33539	2.3
350.24161	4.5
350.26367	1.6
350.30493	22.4
360.51788	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05516	4.2
57.07071	3.1
62.15337	0.7
67.05494	3.5
69.07068	5.4
70.69525	0.7
71.04973	0.9
71.08606	1.7
71.10538	0.8
76.12181	0.7
79.05482	1.7
81.07051	6.0
83.08622	2.6
85.06525	1.2
91.05481	1.9
93.07038	3.3
95.08584	5.4
98.22698	0.7
104.99273	0.9
105.07020	1.4
107.08618	3.3
109.06539	11.9
109.10149	2.3
111.08103	1.5
119.08582	2.3
121.10150	2.6
122.07270	1.6
123.08070	41.4
123.11713	1.4
131.08554	0.9
133.10167	2.3
135.08060	3.4
135.11761	1.7
137.09628	2.1
139.92311	0.7
147.11655	1.2
149.09676	0.8
149.13220	1.0
151.11203	0.9
159.11615	0.9
163.12985	0.8
179.14302	46.0
180.14642	1.6
193.15904	1.4
233.18823	1.0
251.38399	0.8
266.97446	1.0
275.19998	1.0
293.21039	10.2
331.26157	2.4
346.47910	0.8
349.20044	2.8
349.27365	100.0
350.27829	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05497	2.0
57.07070	5.5
67.05495	2.5
69.07063	3.9
69.38365	4.5
71.08627	2.2
79.05488	2.2
80.94836	1.5
81.07053	4.9
83.08648	1.1
85.06563	1.4
91.05466	1.4
93.07050	2.4
95.08635	5.8
99.08121	1.3
100.39967	1.0
102.87921	1.0
105.07057	1.9
107.08595	2.2
109.06512	17.6
109.10164	2.2
119.08609	1.3
121.10177	1.9
122.07239	1.2
123.08070	27.3
133.10135	1.2
135.08073	2.7
179.14305	95.1
180.14662	4.3
191.89455	1.0
193.15950	2.6
264.84363	1.1
293.21048	1.2
349.27368	100.0
350.27652	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05513	5.4
57.07068	3.3
67.05501	4.3
69.07071	9.7
69.64416	4.6
71.04987	1.6
74.78629	1.0
76.17420	1.1
79.05487	2.4
80.94814	1.2
81.07055	9.4
83.08621	4.1
85.06559	1.2
85.97439	1.1
89.06043	1.4
91.05473	1.8
93.07055	5.5
95.04988	1.5
95.08596	7.5
97.06539	1.7
97.10226	1.3
105.07008	2.2
107.08575	5.6
109.06528	9.8
109.10146	3.8
111.08034	1.5
119.08583	2.2
121.10147	4.1
123.08070	68.6
123.11705	2.4
133.10129	2.4
135.08081	5.7
135.11792	1.3
137.09621	4.3
147.11678	2.6
149.09695	1.8
149.13257	1.5
151.09668	2.1
161.13260	1.5
164.81108	1.1
171.49710	1.2
179.14305	13.0
293.21118	17.8
307.22781	1.5
331.26260	3.1
349.27368	100.0
350.27710	6.1
356.47485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03948	0.2
55.01868	0.6
55.05293	0.3
55.05513	3.6
57.07069	2.4
59.05005	0.4
67.05502	3.7
69.06712	0.4
69.07068	6.8
70.01279	0.9
71.04997	0.7
71.08620	1.1
73.06551	0.4
77.95230	0.2
79.05488	2.5
79.46023	0.3
80.66539	0.3
81.07057	7.4
82.24168	0.3
83.04962	0.8
83.08627	2.8
85.06548	0.8
91.05476	1.2
93.07043	4.0
95.04956	0.3
95.08604	6.1
97.06535	1.2
97.10157	0.9
99.08101	0.8
105.07041	2.6
107.08599	4.6
109.05752	0.5
109.06513	11.1
109.10163	3.0
111.08090	1.6
119.08566	2.9
121.06505	0.4
121.10149	3.0
122.07308	0.7
123.08065	51.5
123.11665	1.5
124.08372	1.2
125.09603	0.6
130.74115	0.2
131.08607	0.3
133.10135	2.2
135.08046	3.8
135.11708	1.7
136.08865	0.4
137.09627	2.8
137.13248	0.8
145.10127	0.7
147.11673	1.6
149.09605	0.7
149.13234	1.5
151.11139	0.5
159.11705	0.9
161.13264	0.7
163.11185	0.4
165.12785	0.8
167.14313	0.7
173.13243	0.4
175.14970	0.3
179.14304	31.7
180.14626	1.2
191.14380	0.4
193.15894	0.8
233.18927	0.6
273.45566	0.3
275.20050	1.4
289.25165	0.6
293.21085	12.7
294.21591	0.9
303.26828	0.7
307.22690	0.3
331.26294	2.5
332.26599	0.3
349.27359	100.0
350.27713	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	350.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45250	1.1
52.50122	1.2
69.62789	5.0
70.06578	4.7
75.87752	1.2
89.68867	1.4
94.81788	1.5
98.22684	1.8
98.77018	1.4
98.97583	1.6
101.00862	7.2
107.68570	1.4
109.05117	2.1
113.00875	4.5
116.07020	1.6
119.01917	18.8
131.01903	11.4
132.83136	1.5
136.06189	42.3
137.02991	3.8
137.06589	1.2
137.46951	1.3
143.01991	2.3
157.03464	10.9
161.02968	5.1
166.18771	1.7
167.01898	2.7
173.02972	4.8
175.04533	3.2
175.11894	7.6
176.04181	20.4
176.12186	3.0
185.02951	15.7
186.03085	2.1
187.73003	1.4
193.03577	1.3
194.05238	45.8
195.05351	1.8
203.03976	2.2
204.03722	2.5
212.06331	4.4
218.05228	40.0
219.05476	2.9
222.04851	1.8
230.05226	28.7
230.35901	1.4
231.05521	3.0
233.05086	2.8
236.06274	16.3
248.06180	8.2
248.34470	1.4
254.07248	3.4
258.76331	1.6
302.26120	1.5
308.08417	7.2
326.09476	6.6
350.09464	100.0
351.09808	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	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46588	3.7
61.02924	4.0
64.31837	3.6
70.06586	8.6
71.43478	3.6
80.43108	3.2
81.03429	3.6
83.04958	3.6
85.02900	12.9
98.97599	4.1
111.04446	32.4
136.06143	5.2
139.03906	72.9
152.30144	3.3
171.06529	100.0
179.25084	3.4
206.88626	3.9
223.10918	3.4
276.07507	4.6
350.24377	4.6
350.98672	5.3
351.10645	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	350.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75317	0.6
56.05019	1.4
57.03428	0.6
57.60744	0.5
60.04498	0.7
67.05499	0.8
69.03427	0.7
69.07069	5.0
69.19155	2.5
69.19561	1.1
70.06597	2.5
71.04996	1.0
72.08160	2.0
79.05479	1.8
81.07061	2.5
84.08153	1.4
85.02914	2.4
86.09709	100.0
87.10052	2.0
89.07188	0.7
91.05489	1.3
93.07047	7.6
95.08624	3.5
96.08133	2.2
98.45715	0.6
103.05461	0.8
104.05319	0.8
105.05805	0.6
105.07008	0.8
106.04924	1.5
107.08585	4.6
109.10145	0.7
114.09174	7.3
119.08565	0.6
120.08109	33.3
131.04973	1.0
131.45425	0.6
135.11708	9.0
137.13315	0.9
149.04317	0.9
153.12755	3.4
157.13368	62.1
158.13771	1.9
166.07019	2.8
166.08667	9.3
185.12860	20.7
191.11792	5.3
219.11328	2.2
233.16504	1.7
237.12369	0.7
279.16803	1.3
322.07932	0.8
332.22299	0.8
350.07492	1.9
350.17255	1.4
350.23877	4.0
350.27689	0.7
351.08813	1.8
351.14075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2074
Annotation	Ala Leu Phe
Peak:m/z	Relative Intensity
52.70597	0.6
54.55470	0.6
61.19921	0.5
67.74155	0.6
69.07084	0.6
69.11604	2.8
72.08150	0.6
81.07061	1.1
85.02908	0.6
86.09706	100.0
87.10023	1.1
91.05470	0.7
93.07048	2.3
95.08597	1.1
102.12504	0.5
103.05476	1.6
107.08583	1.6
114.09196	1.3
120.08106	48.2
123.11628	0.6
132.10207	1.2
135.11725	2.0
157.13364	60.1
158.13641	1.6
166.08644	15.0
167.08940	1.0
185.12846	27.6
186.13252	0.7
191.11800	8.2
219.11298	5.0
233.16631	0.6
238.76674	0.6
248.45926	0.5
278.95996	0.6
279.17145	3.4
279.19849	0.6
323.00607	0.6
323.09140	0.7
337.59167	0.6
350.07217	1.0
350.23288	0.7
351.08478	1.7
365.96701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93983	0.6
52.12512	0.5
53.19033	0.6
55.05502	0.8
56.19084	0.6
57.07050	0.7
58.06600	0.9
66.46564	0.7
67.05512	1.4
69.07050	1.0
70.06597	5.9
71.04981	1.1
71.06130	2.0
72.08157	1.8
79.05495	2.2
81.07053	2.7
84.08156	2.2
86.09708	45.6
87.10058	1.1
88.07651	1.6
91.05481	3.1
93.07033	2.3
95.08612	1.3
96.08134	1.4
97.05860	0.6
97.06519	1.8
98.09689	1.5
98.22639	1.8
103.05495	1.9
103.91679	0.6
105.07009	1.9
107.04935	0.8
107.08582	1.1
110.09682	2.6
114.09151	2.2
117.07042	1.8
119.08591	1.3
120.08107	100.0
121.08441	2.3
123.04468	1.2
124.04831	0.7
128.10718	14.5
132.10220	1.7
143.08643	0.8
143.11821	3.4
146.11768	41.5
147.08051	7.7
147.11978	0.9
148.08383	7.1
158.11754	1.1
160.86113	0.7
166.08623	1.2
167.09050	1.0
174.85698	0.6
174.98801	0.8
176.12816	3.3
177.10234	39.3
178.10641	1.1
180.10179	5.6
200.20091	0.9
205.09726	8.5
238.16464	1.2
244.22911	0.8
262.16422	1.4
263.14648	1.3
291.08990	0.7
293.18686	1.2
309.09793	2.2
332.25217	3.5
349.25671	2.1
350.22681	10.3
350.26334	11.1
350.29108	14.3
351.23718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2073
Annotation	Ala Phe Leu
Peak:m/z	Relative Intensity
56.10263	0.4
58.04926	0.4
67.05518	0.5
69.03413	0.5
70.06593	0.7
79.05490	0.7
81.07052	0.6
86.09701	9.5
91.05483	0.9
93.07041	2.5
103.05465	1.7
107.08570	1.5
109.10178	0.7
114.09175	0.8
119.08567	0.5
120.08099	100.0
121.02889	0.7
121.08459	3.3
122.03201	0.5
132.10196	2.6
135.11679	1.2
153.12730	0.8
157.13380	2.3
166.08640	0.4
191.11783	39.1
191.91426	0.4
192.12161	1.2
219.11287	14.5
279.17004	4.0
322.07953	0.8
323.09012	1.8
350.07434	3.4
350.11285	0.6
350.26428	0.7
351.08536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05512	7.9
57.03437	1.8
57.07087	1.6
59.05006	1.6
61.02931	1.8
65.06123	0.8
65.06525	0.8
66.08509	0.9
67.05500	6.9
69.03429	2.7
69.07069	4.2
69.86195	2.8
70.06612	1.3
71.04993	8.1
72.08153	6.6
79.05499	5.7
81.03415	1.4
81.07057	19.3
83.04981	2.9
83.08619	11.4
85.02913	16.6
86.09729	7.1
91.05477	5.1
93.06448	2.0
93.07044	42.2
94.07413	1.0
95.04942	1.1
95.08601	25.9
96.08956	1.0
97.02900	3.7
97.06528	18.2
98.06884	1.0
101.09648	4.7
102.71680	0.8
105.07033	2.1
107.08597	58.5
108.08916	1.3
109.02881	2.1
109.06546	1.1
109.10155	36.5
110.10483	1.5
111.08082	2.1
113.09589	1.6
114.09140	0.8
120.08109	17.2
123.11702	12.9
127.03894	1.8
127.11197	1.9
135.11693	100.0
136.12035	3.7
141.12752	2.9
144.78496	0.9
145.04967	2.5
153.12741	48.0
154.13107	1.5
157.13400	1.3
171.13803	54.4
172.14134	2.7
180.06596	1.0
198.07582	1.5
219.14963	4.0
233.16544	1.6
247.14371	1.6
310.43167	1.0
313.84650	0.9
322.08304	1.0
350.07477	2.0
350.23288	1.4
351.08636	1.4
351.14185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2692
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
56.05036	2.0
58.06596	5.5
58.89948	1.4
64.52307	1.4
67.05492	2.3
67.51027	1.6
69.75578	1.7
69.75915	4.4
70.06570	2.7
71.07384	1.8
72.08134	1.4
79.05481	5.1
81.07069	3.7
84.08150	9.5
91.05476	4.3
93.07030	3.3
95.08585	3.7
98.22721	1.9
101.75525	1.4
105.07050	3.5
111.44125	1.3
119.08596	2.1
128.10727	4.2
134.39757	1.7
151.89607	1.4
166.80728	1.4
185.11681	1.4
254.94612	2.8
326.92740	1.6
332.25787	20.8
350.26874	100.0
351.27161	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	350.2692
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
55.05499	2.4
57.07076	5.9
58.06593	4.2
67.05498	8.7
70.06593	51.7
70.28525	2.2
70.64017	2.7
70.64359	3.7
72.08151	3.9
74.90461	2.1
81.07064	7.9
81.13815	2.0
84.08140	7.3
86.09706	7.8
88.07638	4.6
95.08615	7.8
98.09681	2.8
104.99251	2.9
109.10130	2.6
114.09169	3.1
123.04426	62.6
128.10703	6.7
132.10228	9.5
146.11766	9.9
156.17511	5.5
160.52042	2.5
193.16008	2.1
212.93825	2.9
227.08612	2.6
244.22720	50.7
245.22917	2.6
254.94691	3.0
288.25314	18.9
332.25836	78.0
333.26123	5.4
350.26865	100.0
350.28906	75.4
351.27255	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	350.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71407	0.3
53.03953	0.6
53.52509	0.3
55.01862	1.2
55.05296	0.4
55.05513	4.4
56.05024	1.5
57.03438	8.2
57.07061	0.6
65.03926	1.0
65.99181	0.4
67.05507	17.5
68.05814	0.4
69.07068	6.0
69.41544	1.7
70.06586	0.4
71.04986	1.1
72.04510	0.8
72.08158	6.6
73.06566	0.4
77.03926	0.8
79.05495	10.0
81.07059	14.2
82.07408	0.3
83.04969	0.8
83.08610	1.1
84.08131	1.0
85.06524	0.6
85.08917	0.5
91.04932	0.7
91.05482	9.5
92.05819	0.5
93.07046	8.4
94.07362	0.4
95.04942	1.2
95.08610	10.6
96.08987	0.4
97.06538	5.5
98.09694	19.1
99.08096	5.4
102.09149	0.5
105.04521	0.5
105.07027	6.9
107.08587	3.9
109.06507	0.5
109.10161	2.9
110.09699	0.4
111.08038	0.5
113.09634	1.8
115.07600	0.8
117.07029	2.1
119.08576	3.9
121.10152	3.2
124.11267	0.7
129.06992	0.7
131.08563	3.7
133.10141	3.7
135.11696	1.1
137.09656	0.4
142.12276	7.5
143.08560	0.6
145.10155	3.0
147.11697	1.7
149.13243	1.1
157.10139	1.0
158.15414	0.4
159.11696	1.4
161.13298	0.7
168.93269	0.5
171.11705	0.8
173.13274	1.1
175.14780	1.0
185.13266	0.6
189.24977	0.4
215.17957	0.6
218.99564	0.4
259.20450	0.3
261.09024	0.3
262.10037	0.4
274.09769	0.3
305.11765	0.5
319.13358	0.5
320.14017	0.4
332.29471	5.5
333.29758	0.6
350.30527	100.0
351.15787	2.3
351.26199	0.5
351.30832	8.4
356.23941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03321	0.3
53.66237	0.3
55.01858	0.8
55.05511	2.2
55.68748	0.3
56.05014	0.9
57.03179	0.6
57.03437	6.7
57.07074	0.5
58.06610	0.4
60.72446	0.3
62.93500	0.3
64.62487	0.3
65.03957	0.5
67.05167	0.5
67.05505	9.8
69.07067	3.0
70.06593	0.7
71.04973	0.8
71.45212	0.4
71.82207	0.3
72.04506	1.0
72.08155	5.4
73.06519	0.3
79.05489	6.2
80.94839	0.8
81.06623	0.6
81.07057	7.3
83.04980	0.5
83.08606	0.4
84.08136	0.4
85.06513	0.7
85.08907	0.5
86.09708	0.4
91.05475	5.8
93.07043	4.9
95.04962	1.0
95.08596	5.2
96.41805	0.3
97.06525	2.4
98.09688	15.1
99.08089	1.6
99.09959	0.3
102.09119	0.6
105.07009	3.4
107.08587	2.5
109.10181	1.6
110.09671	0.5
113.09642	1.6
117.07022	1.2
119.08585	2.6
121.10137	0.6
121.92496	0.4
124.11232	0.6
129.06998	0.5
131.08562	2.1
133.10100	2.2
135.11650	0.5
136.11243	0.4
142.12256	5.6
144.09201	0.4
145.10100	1.2
147.11693	1.1
151.11430	0.3
158.15404	0.6
159.11688	1.0
161.13278	0.5
171.11906	0.4
173.13286	0.6
177.92015	0.4
215.17964	0.5
217.16057	0.4
235.83632	0.3
254.94688	0.6
272.95856	0.4
332.29422	5.7
333.29892	0.5
350.30502	100.0
351.30838	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	350.3053
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
50.06324	0.4
55.01861	0.8
55.05516	2.7
56.05021	1.3
57.03442	6.7
58.06595	1.0
65.05923	0.4
67.05502	12.2
69.07069	4.3
70.69361	0.8
71.05001	0.7
72.04506	0.6
72.08153	7.4
77.03893	0.5
78.58100	0.4
79.05492	8.5
81.07051	8.7
83.04973	0.5
83.08629	0.5
84.08141	1.2
85.08916	1.1
91.05488	7.4
93.07042	6.7
95.04957	1.3
95.08605	7.5
96.64642	0.4
97.06526	2.1
98.09694	14.7
99.08099	1.6
105.07058	3.5
107.08597	2.8
107.31474	0.5
109.10120	1.5
113.09629	1.8
116.03134	0.6
117.07007	1.4
119.08572	2.1
121.10119	1.2
124.11228	0.9
129.06972	0.6
130.07874	0.5
131.08559	1.6
133.10123	1.7
135.11659	0.8
142.12268	4.4
143.08537	0.6
145.10106	1.1
147.11699	0.9
149.13228	0.5
159.11734	0.8
305.04135	0.5
314.59183	0.5
326.64575	0.6
332.29468	7.3
350.30511	100.0
351.21689	1.1
351.30875	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	350.305
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
55.01874	2.1
55.05510	5.1
57.01794	0.4
57.03442	3.1
57.07065	0.6
58.06610	0.4
65.03938	0.5
66.57040	0.3
67.05160	0.7
67.05505	11.5
68.05829	0.4
69.07075	5.1
69.83491	0.9
72.04542	0.6
72.08155	4.6
72.47702	0.5
79.05493	6.8
80.05817	0.4
81.03429	0.8
81.07059	12.0
83.04976	2.9
83.08611	2.2
85.06564	0.4
85.24751	0.4
86.09722	0.5
91.05482	6.1
92.05798	0.4
93.07047	7.8
95.04964	1.1
95.08607	10.1
96.08961	0.8
97.06544	3.1
97.10159	0.6
98.09698	13.0
98.23363	0.6
99.08078	0.7
105.07009	3.7
107.08602	3.1
109.06503	0.9
109.10147	3.8
111.08089	2.4
113.09628	0.5
119.08590	5.4
120.08910	0.6
121.06471	0.7
121.10135	1.1
123.08084	0.8
123.11697	0.6
124.11231	0.7
131.08577	1.5
132.08878	0.6
133.10139	2.9
134.10435	0.9
135.11682	1.0
139.07445	0.5
142.12279	10.9
145.10097	0.8
146.10394	0.5
147.08015	0.4
147.11700	1.2
149.13295	0.5
170.81071	0.4
173.13385	0.4
175.14799	1.6
185.56918	0.4
193.15829	0.5
230.19774	0.5
241.19411	0.4
253.85350	0.4
258.19437	0.8
263.90570	0.4
275.20154	0.8
276.20386	5.2
277.21323	0.5
294.21521	0.7
309.92905	0.5
332.29520	2.9
333.17334	1.4
350.24478	3.2
350.30481	100.0
351.18427	1.7
351.25934	0.8
351.30807	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	350.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.3
56.05011	3.2
57.07069	5.9
58.06593	4.1
60.04214	2.5
60.04527	48.3
65.03944	2.4
67.05507	38.9
69.07064	13.0
70.06604	13.0
71.44851	2.2
72.08155	4.2
79.05504	13.8
81.07065	45.4
83.08638	9.6
85.10191	2.1
86.06050	7.7
89.06021	3.1
91.05484	9.7
93.07058	25.6
93.61919	2.0
95.04958	2.4
95.08606	42.3
95.45204	2.2
97.10157	2.6
104.99232	6.2
105.07040	7.4
107.08607	14.8
109.06517	3.1
109.10170	19.7
119.08585	6.4
121.10160	15.2
123.08063	8.6
123.11697	6.1
124.08411	3.3
133.10161	8.2
135.11699	11.2
137.13255	3.9
147.11696	6.2
149.13258	6.9
161.13295	2.6
163.14879	4.1
165.83929	2.1
169.72975	2.1
171.11914	3.6
177.16417	3.2
179.14297	6.0
180.14651	6.5
191.18010	2.6
268.18460	2.1
273.25745	13.6
273.92770	2.4
278.11920	2.0
290.28445	100.0
291.28723	5.4
308.29431	4.9
330.55151	2.2
332.29456	44.8
333.30133	3.8
350.27319	28.8
350.31223	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63455	12.4
66.94437	11.6
67.17140	11.7
69.21415	31.0
69.21818	44.6
70.06595	68.6
71.06905	11.7
74.12003	12.7
98.97603	23.2
102.19417	14.2
115.11753	11.2
116.98635	17.2
140.82869	11.8
149.48871	12.4
165.02791	11.1
189.05161	16.5
327.65509	16.1
328.65106	14.3
350.98636	21.4
351.10654	100.0
351.20798	19.4
352.20895	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2016
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01868	7.0
55.05511	8.1
57.03437	28.5
57.07069	4.4
60.04536	5.9
60.26796	1.9
61.01184	2.3
63.69565	1.9
67.05511	19.6
69.03413	2.9
69.07069	26.6
69.57607	1.7
70.06592	14.3
71.04996	6.4
72.08150	13.9
79.05486	3.5
81.03425	2.7
81.07071	14.9
83.08624	14.2
84.08137	6.7
85.02906	6.8
85.06568	6.4
86.09699	11.5
87.05614	3.5
87.10033	1.7
91.05485	5.1
93.07042	3.6
95.04963	5.0
95.08627	6.4
96.79519	1.8
97.02877	2.5
97.06530	9.6
99.08110	4.2
105.07039	2.5
107.08595	5.6
109.10162	81.4
110.10454	2.4
111.08064	5.6
114.09175	5.3
116.07108	6.8
117.07471	1.9
119.04968	4.2
120.08103	20.4
121.08442	7.1
127.07536	2.1
127.11195	60.1
128.10718	4.5
129.09138	2.5
129.10260	2.7
135.08032	2.0
135.11694	3.8
136.07582	15.0
141.12784	3.3
147.04416	3.6
153.12755	20.1
155.07047	3.1
155.10661	10.5
155.14304	11.3
159.11287	11.9
164.07225	2.9
166.08618	4.8
171.13809	100.0
172.14095	3.0
173.08211	3.0
173.11740	12.0
175.03917	4.3
187.10754	5.8
192.08638	2.6
193.09755	6.8
194.07997	2.8
207.06592	5.6
207.11322	5.3
208.11588	4.0
220.09389	3.3
221.09032	2.7
234.16776	3.8
236.10995	3.1
326.15683	2.2
333.28372	4.1
350.29343	2.5
351.08502	12.7
351.14270	8.2
351.22601	2.2
351.29391	8.3
352.21884	9.9
374.91772	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.00323	0.5
60.87322	0.5
69.44276	2.7
85.77079	0.5
119.46865	0.5
162.43411	0.7
292.62506	0.7
307.42194	0.8
333.20221	0.7
351.21408	100.0
352.21802	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
60.43964	0.4
69.19572	2.8
90.31624	0.4
97.50363	0.5
98.22707	1.1
128.10701	1.6
152.03252	0.4
253.10983	0.5
351.21414	100.0
352.21747	7.9
352.28293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05512	1.0
67.05502	3.4
69.07069	1.1
71.08595	1.2
79.05480	1.5
80.35591	0.9
80.94864	3.2
81.07068	1.8
84.08165	1.7
91.12757	0.9
93.07042	1.7
94.67439	0.8
95.08595	1.2
104.99274	1.8
105.03362	1.4
107.08638	1.4
116.81189	0.8
128.10690	2.1
130.53900	0.9
144.10205	1.9
149.05968	2.1
150.06331	1.0
184.06390	1.3
229.23582	2.4
351.21417	100.0
351.30295	5.4
352.21677	5.8
352.25241	3.4
352.28751	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.41844	1.3
54.44579	1.2
55.01870	3.4
55.05260	2.0
55.05514	18.8
57.03437	9.8
57.07072	4.5
65.03926	3.7
67.05503	45.5
69.07065	17.0
71.04987	4.0
71.08637	1.7
75.04480	1.9
77.03947	1.9
79.05492	71.9
81.07054	63.3
82.07407	1.8
83.04977	3.4
83.08624	7.8
85.06550	5.8
91.05480	50.4
93.07043	95.0
94.07376	3.3
95.04993	7.9
95.08606	43.5
97.06499	3.4
97.10165	2.9
98.22729	4.1
99.08083	4.2
105.04557	2.4
105.07032	55.5
105.07740	2.9
107.08594	51.5
109.06509	6.5
109.10143	14.4
111.04453	3.4
111.08114	2.2
113.09628	1.6
117.07029	13.4
119.08584	49.3
120.09000	2.0
121.10143	45.5
123.08048	3.1
123.11691	5.0
124.55905	1.5
128.06256	1.8
128.10722	5.3
129.07002	9.3
129.11143	2.0
131.08562	17.1
133.10132	44.0
135.08029	3.1
135.11693	45.1
136.12166	1.6
137.05962	26.7
137.09633	1.8
143.08554	11.3
145.10129	23.2
147.11682	52.3
148.12019	2.7
149.09642	4.4
149.13258	26.4
150.13571	1.7
151.07559	1.5
151.11176	2.2
157.10091	8.4
159.11678	17.6
161.09647	3.9
161.13260	38.9
163.11200	4.9
163.14812	9.8
171.11676	13.8
173.13303	11.5
175.11240	2.8
175.14832	19.3
176.15054	1.9
177.12804	3.5
185.13231	12.4
187.14911	3.5
189.12766	3.0
199.14864	8.6
203.14220	1.6
203.18066	1.9
213.16393	5.8
217.19522	3.5
221.15350	2.4
231.17451	4.4
231.21034	11.6
241.19510	41.6
241.21878	2.9
242.19872	2.4
245.36447	1.4
249.18510	2.7
259.20587	100.0
260.20926	5.1
261.22345	1.8
277.17999	14.6
277.21625	16.6
278.18185	1.6
312.33887	1.4
333.20227	5.1
333.24295	11.3
336.25381	1.5
351.21356	50.8
351.25345	87.6
352.21835	2.9
352.25629	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.9
57.03424	2.3
57.07074	1.7
58.30809	0.9
67.05163	1.2
67.05510	19.0
69.07072	6.7
71.04974	2.0
77.03870	1.0
79.05489	24.6
80.05804	0.9
81.03913	1.0
81.07058	20.8
83.08642	2.3
85.06538	2.1
91.05477	25.5
91.06055	1.3
92.05843	1.4
93.06441	1.7
93.07043	34.4
95.04986	3.5
95.08603	14.3
97.06547	1.9
97.10181	1.5
99.08067	1.9
105.04492	1.6
105.07027	27.9
105.36106	0.8
107.04948	1.0
107.08589	18.0
109.10165	4.4
111.08109	1.3
113.09649	1.0
117.07021	5.9
119.08583	24.1
120.08884	0.9
121.10140	14.8
123.11721	1.2
128.10747	5.1
129.07005	4.9
131.08582	9.1
133.10130	22.5
135.08038	1.3
135.11668	12.9
136.11942	1.3
137.13275	0.9
143.08499	4.8
145.10143	8.3
147.11679	20.9
149.09613	1.1
149.13251	7.9
151.11169	1.2
157.10092	4.6
159.11699	7.6
161.13264	15.8
162.13718	1.3
163.11227	1.3
163.14821	3.0
171.11671	7.5
173.13260	4.6
175.14847	8.8
177.12740	1.3
185.13274	4.6
189.16376	1.2
199.14873	3.3
203.14445	1.6
217.19695	1.0
231.21062	4.5
241.19492	16.7
242.19943	1.3
259.20578	44.1
260.20947	2.1
269.03574	1.0
277.21622	2.6
292.03687	1.0
332.92224	0.9
333.16544	2.0
333.20380	26.8
333.24280	2.4
334.20712	2.6
351.21381	100.0
351.25363	29.5
352.21661	6.6
352.25113	1.8
352.28671	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	21.6
56.96537	3.5
57.03434	11.0
57.07073	4.3
67.05502	49.2
68.93000	2.8
69.00262	3.5
69.07068	17.7
70.52005	4.9
71.05006	4.4
76.15019	2.8
77.03886	2.7
79.05490	73.7
80.94874	8.7
81.07059	58.5
81.07514	5.7
83.05008	3.0
83.08620	9.8
91.05479	60.1
93.07045	93.8
95.04984	10.4
95.08613	42.2
99.08093	5.3
104.99287	8.3
105.04462	3.2
105.07025	48.2
107.08598	52.5
109.10146	17.8
117.07029	10.9
119.08579	55.2
121.10152	42.5
123.11794	3.2
129.07007	9.7
131.08536	19.7
133.10133	47.0
135.11711	34.9
137.09523	3.1
143.08594	11.1
145.10118	19.4
147.11679	55.2
149.13261	33.7
157.10114	7.0
159.10570	4.1
159.11656	18.7
161.13257	27.6
163.11142	4.2
163.14833	8.4
166.86450	3.0
171.11751	11.7
173.13280	8.9
175.14821	16.0
177.12769	4.5
180.89610	3.2
185.13307	16.9
186.99594	6.8
187.14838	4.2
189.12790	3.9
199.14821	7.1
213.16364	5.3
217.19554	4.6
231.21074	7.9
234.81557	3.1
241.19533	35.6
259.20578	100.0
260.20874	5.2
277.21732	18.2
281.63498	2.9
333.24298	10.8
351.18506	6.4
351.25305	91.8
352.25674	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	34.2
57.03433	22.9
58.06591	19.4
67.05489	100.0
69.07066	25.3
69.71882	18.4
71.08627	31.5
76.72372	14.5
77.74965	14.3
79.05506	54.5
80.94846	50.0
81.03388	16.9
81.07053	85.7
91.05479	55.7
93.07030	40.6
93.72323	22.9
95.08630	40.3
97.10208	17.3
99.08083	37.1
104.99277	23.1
105.07034	34.2
107.08587	41.8
109.10158	43.8
119.08560	27.8
141.04117	14.5
144.10208	25.9
147.11670	18.4
149.13226	24.1
161.13121	21.5
186.99692	21.8
277.21625	59.8
351.21359	40.4
351.25259	88.4
351.30811	63.8
352.28433	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.2
57.03429	17.6
58.06593	10.8
58.98154	7.1
62.55167	7.6
67.05503	92.9
69.07067	23.6
69.62220	19.0
69.62609	16.4
71.08635	45.0
79.05489	82.3
80.94843	25.7
81.03400	11.4
81.07066	66.2
83.04978	18.7
83.08617	15.4
91.05486	51.2
93.07042	65.8
95.04958	17.2
95.08617	44.1
98.23402	11.5
99.08095	32.6
104.99266	22.6
105.07024	79.2
107.08569	50.2
109.06516	9.5
109.10152	23.3
117.06976	14.2
119.08612	50.0
121.10152	34.7
129.07028	11.6
131.08537	15.9
133.10133	42.0
135.11717	37.4
143.08580	11.8
144.10152	10.4
145.10152	25.7
147.11679	51.2
149.13226	22.5
151.11203	19.3
159.11667	16.5
161.13249	45.6
163.11223	10.7
171.11736	13.0
173.13223	14.8
175.14819	14.2
179.14224	10.3
185.13344	9.2
231.21046	11.5
238.88910	9.4
241.19481	27.7
259.20569	79.4
260.21027	13.5
277.21707	46.1
351.21420	20.2
351.25336	100.0
351.30609	41.8
352.28793	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19231	1.4
55.05520	13.8
56.38054	1.4
57.03433	5.3
57.07066	3.6
67.05508	31.2
69.07057	9.2
69.54282	5.8
69.54686	3.1
71.03253	1.6
71.04978	1.9
75.04449	1.7
77.03950	2.6
79.05496	46.7
81.07053	32.5
83.04975	2.2
83.08620	6.2
85.06519	2.0
88.93417	1.4
91.05481	45.3
91.06049	2.8
93.07046	63.5
95.04961	5.4
95.08614	23.8
105.04530	3.3
105.07029	54.2
107.07924	2.8
107.08601	36.6
109.10152	12.9
113.09592	2.1
117.07026	12.5
119.08587	49.6
121.10156	28.4
123.08112	1.7
123.11731	3.5
128.06195	1.9
129.06985	8.1
131.08559	17.4
133.07666	1.5
133.10133	42.4
135.11691	30.8
143.08556	6.3
145.10132	18.0
147.11685	49.4
148.12036	1.8
149.13284	19.6
157.10133	6.7
159.11719	18.9
161.13266	30.7
163.14838	5.2
171.11697	11.6
173.13301	8.9
175.14848	9.3
177.12764	2.5
177.16536	1.7
185.13293	13.0
190.45303	1.8
199.14821	7.2
203.14337	1.9
213.16406	5.7
215.18027	1.8
217.19514	2.5
231.17319	2.5
231.21092	7.1
241.19527	30.0
259.20578	100.0
260.20963	5.8
261.22238	2.3
277.21716	5.0
309.20685	1.8
333.24146	4.1
351.25284	53.6
352.25696	1.8
352.32138	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19056	2.6
55.01875	3.5
55.05305	2.3
55.05514	26.0
57.03438	34.1
57.07079	2.9
57.55732	2.3
59.96831	2.3
67.05164	3.7
67.05507	68.3
68.05839	2.9
69.07069	32.1
71.04990	5.3
71.08630	42.4
77.03926	3.1
79.05494	69.5
81.03413	3.0
81.07055	81.1
81.89825	2.8
83.04969	9.1
83.08613	18.8
85.06539	6.4
89.67103	2.6
91.05480	53.7
93.07045	92.1
95.04951	16.7
95.08030	4.6
95.08606	59.1
97.06531	11.9
97.10156	3.6
99.08096	28.6
105.04533	3.3
105.07030	48.9
107.04958	6.7
107.08592	54.9
109.05772	2.7
109.06520	8.4
109.10147	24.8
111.08080	6.5
111.11738	2.5
117.07021	13.3
119.08586	45.1
121.10149	43.6
123.08100	2.9
123.11716	5.4
125.09650	4.5
129.07011	8.7
131.08556	18.8
133.10138	42.8
135.08118	3.0
135.11708	50.3
137.09578	4.3
141.09113	3.5
143.08568	8.0
145.10114	15.8
147.11694	36.6
149.13287	24.5
151.11166	16.1
157.10172	5.6
159.11717	18.1
161.13254	26.5
163.11180	7.0
163.14914	4.2
171.11737	8.3
173.13283	9.7
175.14886	8.6
177.12744	5.7
179.14316	69.2
180.14737	4.1
185.13283	9.5
187.14839	9.6
199.14830	7.9
203.14131	3.2
213.16437	2.9
217.15976	2.6
231.21129	5.7
235.16754	4.0
241.19542	20.7
242.19763	3.2
259.20581	57.7
260.20926	5.6
277.21606	44.3
278.21658	3.0
301.98868	2.5
302.53052	2.6
351.25317	100.0
352.25577	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.40892	1.8
55.01871	5.6
55.05509	22.8
57.03443	17.2
57.07070	6.3
65.03957	2.2
66.81305	1.6
67.05505	57.4
69.03436	2.6
69.07075	21.7
69.26933	3.9
69.27321	4.6
71.04991	4.2
71.08633	46.2
77.03915	2.3
79.05499	41.8
81.03408	6.5
81.07059	57.5
83.04980	12.1
83.08630	9.3
85.06552	4.3
91.05480	34.5
93.07047	59.6
95.04972	19.2
95.08609	38.2
97.06530	10.6
97.10162	6.3
98.23523	2.7
99.08091	31.2
105.07036	26.7
107.04960	5.0
107.08591	37.2
107.29681	1.5
108.08952	2.3
109.06516	18.5
109.10165	17.2
111.08062	3.6
113.09622	2.8
117.07048	4.9
119.08589	20.8
121.06503	4.6
121.10152	28.4
123.08061	4.0
123.11716	3.7
129.07051	2.7
131.08536	8.7
133.10127	16.5
135.08080	5.3
135.11685	31.8
137.09645	7.6
139.11134	2.3
141.09052	2.7
143.08528	3.5
145.10152	8.5
147.11705	11.0
149.09613	2.7
149.13254	11.7
151.11174	16.7
157.10077	3.1
159.11687	5.7
161.13251	13.6
163.11205	7.4
163.14835	3.2
165.12743	38.8
167.10651	2.2
171.11652	2.1
173.13144	3.7
175.14816	2.5
177.12712	6.2
179.14311	77.5
180.14751	4.2
185.13246	4.2
189.12727	3.4
191.14337	3.9
199.14780	1.9
221.15341	1.8
231.21181	2.2
235.16873	3.8
241.19487	3.9
259.20599	15.1
277.21637	34.4
278.21890	2.6
289.21674	20.0
333.24295	6.4
334.27582	3.1
351.25302	100.0
352.25613	7.7
352.32089	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	352.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15781	4.7
66.40959	4.7
69.89503	12.3
79.63534	4.3
93.32571	5.5
101.78829	4.4
136.07574	7.0
173.02133	5.6
207.11346	5.2
216.49747	5.0
220.11859	8.1
286.88101	5.3
311.05237	100.0
312.05383	5.3
352.21606	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	352.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.03431	0.9
59.49022	0.9
60.72033	0.9
62.43893	0.9
67.05511	11.2
69.07061	2.9
69.54517	3.1
75.26939	0.9
79.05482	5.1
80.94852	2.1
81.07062	12.1
83.08605	1.1
84.08183	1.0
91.05482	1.8
93.07045	7.5
93.22703	0.8
95.08611	10.0
98.09688	2.6
105.07047	1.2
107.08601	5.3
109.10148	2.4
117.07053	1.2
119.08611	1.2
121.10153	2.7
122.00574	1.1
123.11761	1.0
131.08566	1.5
135.11694	3.0
139.29077	1.0
145.10068	1.5
147.11574	0.8
149.13249	1.2
152.04030	1.0
159.11656	0.8
163.03297	1.1
163.14799	1.8
167.00502	1.3
173.13271	1.3
178.01907	0.9
179.02690	2.1
180.03477	6.3
192.03526	0.8
193.04306	1.9
193.08057	1.0
199.68575	0.8
203.06396	0.9
205.07883	1.1
207.05806	1.4
207.09552	1.5
210.02238	1.3
221.04027	1.0
221.07449	19.1
222.07750	1.1
236.02470	1.1
236.09734	3.7
240.06934	2.7
243.21118	2.0
247.09030	3.8
249.06927	12.9
252.10533	9.1
261.22122	6.8
264.09198	1.4
274.07751	0.9
275.08392	4.8
277.06412	34.4
278.06808	1.3
279.11618	11.0
280.09903	6.7
292.08771	17.6
295.07446	5.2
307.11096	49.1
308.11432	3.6
310.09885	4.2
334.31250	1.1
335.10608	20.6
335.22018	1.0
335.25806	1.7
336.10916	1.6
352.13260	100.0
352.32056	9.3
353.11444	25.0
353.26782	1.2
354.11938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.9
69.03422	0.9
69.07059	0.8
69.61876	0.5
69.82996	1.1
70.06595	1.2
71.04975	0.5
72.08138	0.9
76.03802	0.4
78.39310	0.4
79.05475	1.0
81.07059	1.4
84.04496	0.4
84.08171	0.9
85.02898	1.7
85.06542	0.9
86.09707	100.0
87.10049	1.6
91.05481	5.8
93.07039	1.8
95.04975	1.5
95.08595	1.3
97.02909	0.8
97.06516	0.5
99.04450	0.5
105.07039	2.2
107.08595	1.9
109.06550	0.7
109.10176	1.0
119.04942	7.5
119.08591	1.2
120.08089	0.7
121.10115	0.9
123.04430	9.6
127.03893	0.5
127.07514	0.6
128.10748	1.7
129.10240	0.5
130.07852	0.6
131.08566	7.8
133.10176	1.2
135.08130	0.5
135.11739	0.5
136.07573	35.0
137.05954	1.2
137.07924	1.3
137.09621	1.4
143.11795	81.0
144.09309	0.6
144.12167	2.1
145.10138	2.5
147.04428	4.0
147.11652	0.6
149.13213	0.5
155.07050	0.8
155.10664	2.3
157.08841	0.4
158.10883	1.5
165.05472	19.9
166.05800	0.7
168.36191	0.5
171.11290	22.4
172.11586	0.5
173.08115	0.6
173.11819	1.1
173.13263	14.7
175.03929	0.9
182.08130	38.6
183.08472	1.7
190.05380	0.6
191.14284	4.0
207.06535	1.7
217.81438	0.5
221.25670	0.4
295.16519	0.8
352.10672	1.1
352.22354	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	352.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
60.04518	2.4
67.05505	1.7
69.07053	1.0
69.24316	2.3
69.24728	1.3
70.06606	2.9
72.08148	5.1
73.01603	0.6
81.07056	0.8
84.08142	2.0
85.02919	1.0
86.09702	16.4
87.05125	0.6
87.05597	2.4
87.08102	0.7
91.05476	8.4
92.73776	0.7
93.07042	0.7
95.04910	0.7
95.08617	1.5
96.08115	0.6
97.02857	0.6
98.23510	1.1
104.32487	0.6
107.04935	0.6
109.10150	2.7
110.07102	0.5
110.09689	0.7
114.09179	1.4
114.09929	0.6
118.06517	1.3
119.04957	11.2
120.01170	0.7
120.08102	17.6
121.06490	0.8
121.08440	0.7
128.10719	2.2
129.10252	1.9
132.10207	6.4
136.06221	8.2
136.07573	100.0
137.07956	3.2
137.09630	2.7
140.06822	1.1
143.08228	0.8
143.11789	1.2
144.08095	3.0
147.04411	1.1
148.07484	1.2
155.10666	5.8
162.09126	2.4
164.07008	1.4
166.08673	1.1
173.11787	3.0
175.03845	1.5
189.12360	1.8
193.09726	52.1
194.10075	1.0
202.10870	0.9
207.06528	1.1
207.11290	11.9
208.11716	0.9
216.44611	0.6
220.11928	10.6
221.09236	12.5
222.09471	0.8
235.10677	2.9
253.11742	0.6
253.15260	2.7
295.16647	1.1
352.09265	0.7
352.15097	0.7
352.18600	1.0
352.21960	15.1
353.06525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2849
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05501	1.8
56.05030	1.7
58.06596	7.6
67.05504	3.7
70.06596	6.1
77.05873	1.2
79.05482	4.3
81.07053	5.3
84.08143	4.4
91.05477	4.8
91.90947	1.3
93.07042	3.7
95.04993	1.2
96.08122	5.3
105.07057	2.2
108.08120	2.6
110.09684	3.8
113.11540	1.2
114.09189	3.4
121.10167	1.9
122.09689	3.9
123.10456	1.5
124.11238	1.3
128.10715	17.0
133.10123	1.7
145.10170	1.6
189.22522	1.4
213.86319	1.5
316.26398	5.5
334.27414	29.8
335.27832	3.0
352.28461	100.0
353.28729	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	352.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49368	0.3
53.03939	0.5
55.01863	0.8
55.05261	0.4
55.05513	5.5
56.00003	0.3
56.05036	1.6
57.03442	7.2
57.07069	1.4
58.06597	0.4
64.24226	0.3
64.96175	0.2
65.03934	0.6
67.05505	15.3
68.05834	0.5
69.07072	10.5
69.76405	0.7
70.06594	0.8
71.04996	1.1
71.08629	0.7
72.04510	1.1
72.08157	5.8
79.05496	10.0
80.05830	0.5
81.07059	14.8
83.04981	0.8
83.08624	1.4
85.06533	0.9
85.08929	0.4
85.10179	0.4
86.09690	0.3
91.05487	5.9
93.07052	10.7
95.04980	1.4
95.08609	13.7
96.08944	0.4
97.06522	4.4
97.10169	0.7
97.35583	0.3
97.50361	0.3
98.09693	16.2
99.08093	5.0
99.10039	0.4
102.09193	0.9
105.07030	3.9
107.08599	4.8
109.10160	3.9
110.09695	0.4
111.08073	0.5
112.11206	0.3
113.09642	2.2
115.07595	0.7
117.07026	1.2
119.08582	2.7
121.10146	4.8
123.08119	0.4
123.11707	0.9
124.11234	0.6
125.84924	0.3
128.10750	0.3
131.08597	1.8
133.10136	2.5
135.11681	1.9
142.12277	7.5
145.10124	1.4
147.11687	1.8
149.13245	0.7
159.11717	0.8
161.13234	0.7
175.14690	0.4
177.16429	0.4
187.14949	0.4
191.17873	0.4
334.31006	5.6
335.31296	0.6
352.32095	100.0
353.32437	7.6
353.36737	0.5
362.48431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3213
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
55.05509	4.1
57.03438	6.7
67.05500	11.7
69.07076	7.4
69.58443	6.2
71.08637	1.7
72.04475	1.3
72.08150	5.4
79.05492	8.6
80.94862	3.1
81.07044	10.5
83.08610	2.2
91.05487	3.7
93.07055	6.8
95.08605	8.7
97.06539	3.0
98.09700	11.7
98.22737	2.0
98.92012	1.3
99.08103	1.6
105.07040	3.8
107.08604	3.4
108.87720	1.3
109.10183	2.5
112.89630	1.6
113.09661	2.9
117.06993	1.3
119.08570	1.8
121.10152	2.9
131.08517	1.3
133.10127	2.0
135.11667	1.9
142.12294	4.3
149.13170	1.7
234.99670	1.8
237.33353	1.3
243.21115	2.1
261.22220	2.4
334.31012	6.0
352.32098	100.0
353.26837	2.5
353.32443	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	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96560	2.0
94.93009	1.8
110.97556	1.0
137.31451	0.9
143.01926	1.0
144.98167	1.1
159.87564	0.9
165.00792	0.9
180.48129	0.9
190.98691	1.0
208.97420	0.8
208.99669	2.1
229.55656	1.0
232.99603	2.1
247.91386	1.3
251.00601	1.2
332.81381	0.9
353.08438	100.0
354.08868	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	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38308	0.2
58.06583	0.4
62.46238	0.2
65.03941	2.3
69.79263	0.6
78.84465	0.2
79.05498	1.6
80.61254	0.2
84.13648	0.2
90.02463	0.2
91.05481	57.9
92.05808	1.4
107.00497	0.9
108.01271	7.9
108.02017	0.4
108.20462	0.2
126.02377	0.3
128.10727	0.7
135.05383	0.2
144.10187	0.4
154.07790	0.2
183.03587	9.2
184.04395	2.4
185.05150	5.5
185.06834	0.3
186.05533	0.3
201.04617	0.4
202.05411	0.4
206.81711	0.2
219.05724	0.5
233.49220	0.2
243.48640	0.2
261.08276	9.2
262.09058	15.1
263.09363	1.1
293.07260	0.8
294.08029	6.4
295.08435	0.4
306.72156	0.2
352.28442	0.6
353.14523	100.0
354.14850	10.1
354.19269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01865	1.0
55.05502	1.0
57.03432	1.2
57.07069	1.4
58.51651	0.5
59.25254	0.6
61.02917	1.7
65.03958	0.7
67.05498	2.2
68.53975	0.5
69.03424	4.1
69.07053	1.1
69.66374	2.3
70.06593	1.5
71.04993	0.8
72.08130	0.6
73.02925	1.2
79.05190	0.5
79.05502	5.5
81.03421	1.7
81.07036	3.0
82.06564	0.6
83.04948	0.8
84.08106	0.7
85.02902	11.0
86.09753	1.0
87.04473	0.6
87.32597	0.5
87.78199	0.6
89.06012	0.7
91.05479	11.3
93.07045	11.0
95.04965	1.7
95.08585	1.6
95.23245	0.6
96.08118	0.8
97.02889	3.5
97.06527	0.9
99.04448	0.7
101.69258	0.7
105.04518	0.6
105.07037	10.8
107.04893	0.6
107.08591	12.9
109.06538	1.3
114.09174	1.3
115.05441	1.5
116.06203	1.3
117.07032	3.4
118.65104	0.6
119.08591	8.5
120.08118	0.7
121.10146	3.0
127.03909	2.5
128.10706	0.7
129.07019	4.1
130.07784	2.1
131.08571	48.2
132.08894	1.8
133.10127	5.8
135.08073	3.4
143.08571	6.0
144.09291	1.7
145.04936	2.3
145.10127	11.4
147.11691	3.6
149.13213	2.0
152.07143	0.6
156.09283	0.8
157.10146	1.1
158.10899	8.4
159.11632	0.9
163.03804	0.6
163.14882	1.1
171.11668	1.8
173.13258	100.0
174.12347	0.8
174.13538	4.0
175.14801	1.3
181.04947	0.7
191.03407	0.9
191.14294	23.5
192.06500	0.9
192.14568	1.7
209.16582	0.9
215.14267	0.7
221.09779	1.4
297.07553	1.9
308.25839	0.9
325.07025	4.7
336.22363	0.8
353.06543	5.9
353.15610	3.2
353.19379	0.9
353.28009	1.2
354.19360	1.2
354.22861	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.5
62.01828	0.2
62.70863	0.2
67.05521	0.3
69.95081	0.7
80.54210	0.3
81.07041	0.4
93.07096	0.2
95.08612	0.2
110.09708	0.4
128.10728	2.8
129.11052	1.0
216.98686	0.3
235.13145	0.4
293.21088	0.3
335.21826	0.5
336.29022	0.4
353.22971	100.0
354.23187	6.3
354.30215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.7
67.05500	0.8
69.53314	1.2
79.05521	0.8
80.64123	0.5
84.08167	0.5
91.05463	0.6
93.07048	1.1
105.07018	0.5
109.10120	0.8
110.09727	0.6
128.10716	2.6
129.11087	1.0
165.09077	0.6
177.09084	0.6
177.94286	0.5
279.23691	0.5
335.27664	1.0
353.22961	100.0
354.23328	6.9
354.29999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	1.8
64.21613	0.9
67.05524	0.9
70.87237	1.6
80.94850	0.9
82.94576	1.2
98.97605	1.2
125.24810	1.1
125.98665	1.0
146.50365	1.0
220.30081	0.9
235.00085	1.0
310.28171	0.9
335.20990	1.5
335.27914	2.2
353.22980	100.0
353.28644	11.4
354.23175	7.2
354.30072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	1.4
55.05514	15.7
57.03440	8.2
57.07075	3.6
65.03923	1.7
67.05505	89.2
68.05833	1.8
69.07072	12.9
69.54564	5.1
71.04989	2.9
72.22729	1.6
79.05490	42.8
81.07056	100.0
83.08606	7.8
85.06539	3.3
85.10194	1.7
91.05473	20.0
93.07040	52.7
95.04980	3.6
95.08601	70.2
96.08953	2.6
97.06515	2.4
97.10155	4.4
99.08087	2.0
105.07028	16.3
107.08595	36.3
109.06501	2.0
109.10155	39.8
113.09635	1.7
117.07027	9.3
119.08554	13.0
121.10133	26.6
123.08102	1.7
123.11709	21.0
125.09597	1.5
131.08551	17.7
133.10092	9.7
135.11685	21.7
137.13266	10.0
145.10132	14.8
147.11681	8.2
149.13234	20.5
151.11116	1.7
159.11687	16.0
161.13245	9.3
163.14833	11.4
165.12732	3.3
173.13235	12.0
175.14771	2.4
177.16371	5.2
187.14784	7.2
201.16437	2.5
202.04785	1.5
219.17438	1.6
233.22549	2.4
243.21057	21.4
261.22131	85.0
262.22488	6.2
279.23248	5.9
317.24826	1.6
335.19232	1.9
335.25772	12.4
353.26819	30.5
354.26144	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.31919	1.2
52.81843	1.3
53.03963	2.4
55.05510	14.4
55.15253	1.2
57.03432	5.3
57.07076	3.1
65.03941	4.2
67.05502	96.1
69.07068	14.6
70.06591	1.5
71.04981	2.4
71.08654	1.3
75.04474	2.4
79.05489	46.9
80.05838	1.5
81.07054	100.0
82.07384	1.9
83.04980	1.5
83.08620	6.4
85.06557	2.4
91.05474	20.6
93.07040	55.5
94.07410	1.4
95.04980	4.2
95.08602	74.8
96.08910	1.3
97.06549	4.5
97.10175	5.8
98.22625	2.2
99.08123	2.5
105.04490	1.4
105.07024	16.4
106.07331	1.5
107.08590	33.6
108.08915	1.4
108.62610	1.5
109.06547	2.9
109.10155	38.9
111.08088	2.3
117.07053	8.3
118.50742	1.3
119.08585	12.6
121.10137	31.4
123.11707	22.8
131.08557	19.6
132.08859	1.5
133.10129	13.3
135.11688	22.6
137.13258	9.5
145.10115	13.8
147.11655	8.0
149.13258	20.0
151.11212	2.1
151.14839	2.6
153.12729	2.1
159.11700	14.8
160.12064	1.6
161.13290	6.7
163.14815	12.6
165.12753	1.8
173.13272	17.0
175.14868	4.1
177.16435	2.1
187.14827	9.8
191.14417	1.5
201.16373	2.8
219.17548	1.5
233.22667	3.8
243.21071	23.3
245.22685	1.9
261.22125	95.8
262.22388	7.3
279.23047	7.4
291.23071	3.1
335.25757	13.9
353.26846	34.5
353.31793	3.0
354.27301	1.6
354.33765	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21581	1.4
53.03941	3.0
55.05516	12.7
57.03434	4.0
57.07073	2.9
64.99753	1.2
65.03947	2.8
67.05504	84.7
69.07060	11.1
69.88360	1.7
69.88677	3.4
71.04989	3.5
79.05494	44.5
81.07056	84.3
82.07373	2.3
83.04996	1.9
83.08621	6.3
86.92263	1.3
91.05476	20.3
93.07044	59.4
95.04943	2.4
95.08603	59.9
96.08935	1.8
97.06515	2.4
97.10155	3.0
99.08067	2.7
101.06173	1.5
105.07027	16.1
107.08598	38.3
109.10161	33.6
111.08060	2.8
111.11726	1.6
113.09637	1.6
117.07020	9.5
119.08585	12.4
120.73693	1.4
121.10152	29.2
123.11710	17.1
131.08571	18.5
133.10117	11.8
135.11693	28.7
137.09613	1.7
137.13284	9.8
145.10135	13.7
147.11700	9.7
149.13263	17.7
151.14864	1.8
153.12712	2.2
159.11693	13.2
161.13246	6.9
163.14803	12.4
173.13246	15.8
175.14818	3.4
177.16418	5.0
187.14799	8.8
201.16379	2.1
219.17303	1.6
233.22708	2.7
239.98482	1.7
243.21074	23.9
261.22137	100.0
262.22394	7.7
263.23807	2.2
272.44559	1.4
279.23245	3.2
335.25739	5.8
353.26871	35.3
354.27151	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.7
55.23467	4.9
57.03440	14.7
57.07084	7.5
62.98235	6.0
67.05502	93.7
67.23717	5.4
69.07069	21.6
69.87550	17.5
75.01739	5.2
79.05489	57.0
80.94846	12.3
81.07059	100.0
83.08628	15.1
91.05483	22.7
93.07050	51.7
95.08601	94.9
97.10176	6.6
98.09714	8.9
99.08080	7.3
105.07032	25.0
107.08586	40.0
109.10159	25.7
117.07024	9.0
119.08564	14.9
121.10158	33.3
123.11723	11.9
123.18746	6.0
131.08575	17.5
133.10150	16.8
135.11682	19.0
137.13251	6.0
145.10155	15.1
147.11674	6.4
149.13269	22.4
159.11719	10.5
161.13220	7.0
163.14864	17.1
173.13292	18.6
187.14816	8.3
235.13330	10.8
243.21010	30.3
261.22144	91.0
262.22546	7.9
277.14307	13.2
298.23566	6.3
335.25754	20.5
353.26834	10.9
353.32425	24.8
354.33759	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	353.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.7
56.41293	3.3
57.03432	2.9
57.07091	6.1
67.05507	78.6
68.96132	2.3
69.07056	11.6
70.31328	4.8
79.05492	39.7
81.07056	81.5
83.08632	4.5
85.06567	4.2
91.05494	22.0
93.07047	58.4
93.07598	3.8
95.08607	66.4
95.09218	3.9
97.06553	4.6
99.08107	5.0
103.07600	2.4
105.07050	15.1
105.07642	2.4
107.08588	33.1
109.10153	36.2
112.89619	3.1
117.07039	7.9
119.08573	12.6
120.47557	2.5
121.10143	28.0
123.11698	20.4
131.08537	18.9
133.10101	12.7
135.11676	23.7
137.13264	5.4
145.10146	13.1
147.11690	12.4
149.13246	22.9
154.66310	2.8
159.11737	16.1
161.13293	10.3
163.14842	15.2
173.13272	11.3
177.16388	3.9
187.14886	8.7
187.51572	2.2
201.16341	3.9
233.22639	3.4
234.55707	3.5
243.21092	28.8
244.21298	2.6
261.22150	100.0
262.22537	9.2
279.23260	3.5
335.25751	5.6
353.13821	3.6
353.26987	26.1
353.32117	13.8
354.27087	4.0
354.33673	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.10797	1.1
53.03942	2.1
55.01870	4.7
55.05510	41.0
55.99670	1.3
57.03440	18.0
57.07082	10.0
59.04991	1.7
61.47266	1.3
65.03925	2.5
67.05504	87.0
68.05848	2.2
69.07069	37.2
69.35772	7.3
71.04984	4.0
71.08630	69.3
72.13235	1.3
77.03918	2.2
79.05492	50.0
80.05847	1.4
81.07056	100.0
82.07379	2.3
83.04967	7.0
83.08179	2.2
83.08627	21.2
85.06535	6.2
85.10169	3.4
91.05476	22.4
93.07043	53.5
95.04939	3.2
95.08606	76.3
96.08960	1.8
97.06539	9.8
97.10162	17.3
98.09740	1.8
99.08092	53.6
99.08723	2.8
105.07041	19.6
107.08591	36.4
109.06517	2.9
109.10149	38.7
111.08070	5.0
112.30263	1.4
113.09647	2.9
117.07059	7.4
119.08576	17.2
119.24728	1.3
121.10148	23.8
123.08052	2.5
123.11705	11.5
125.09616	8.3
127.11192	3.0
131.08566	13.3
133.10107	9.2
135.11703	23.1
137.13239	10.5
139.11240	1.5
142.12285	1.9
145.10097	10.5
147.11694	30.8
149.09631	3.3
149.13255	15.9
151.11183	1.7
151.14851	4.9
153.12738	8.1
159.11726	4.4
161.13258	7.7
163.11179	4.2
163.14801	14.8
165.12743	10.4
167.14319	2.4
173.11848	2.7
173.13205	10.7
175.14845	2.3
177.12700	2.2
177.16362	3.0
179.14177	1.9
181.15874	5.2
187.14822	4.1
189.11230	4.7
196.07990	1.5
233.22682	5.8
243.21146	22.1
251.23846	1.9
261.22128	42.3
262.22482	2.8
263.23935	1.4
279.23190	36.9
280.23532	2.6
289.09402	1.4
302.89035	1.5
335.25687	1.7
342.25208	1.8
353.26877	92.5
354.27026	7.1
354.33578	13.8
360.87982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.0
55.05510	13.3
57.03422	2.4
57.07080	8.3
61.81495	1.2
65.03937	3.1
65.67146	1.1
67.05503	94.2
69.07068	14.7
69.54141	2.7
69.54532	1.8
71.04993	1.8
71.08625	5.2
75.04477	1.8
77.03899	1.5
79.05492	61.6
80.94860	1.3
81.07054	93.6
82.07391	1.3
82.94519	1.5
83.08615	10.5
85.06551	4.6
85.10185	1.8
91.05478	31.6
93.07044	78.2
94.07362	2.9
95.04972	5.7
95.08605	73.2
96.08908	2.2
97.06538	2.7
97.10172	4.2
99.08102	4.4
105.04520	2.5
105.07016	21.2
107.08592	45.6
108.08926	1.9
109.06513	3.0
109.10153	27.5
111.08082	1.9
113.09629	3.4
117.07021	13.7
119.08578	12.8
121.10145	43.8
122.10493	1.8
123.08072	2.1
123.11700	12.8
125.09624	2.1
131.08562	25.4
133.10135	11.9
135.11693	31.5
137.13248	8.4
139.11197	1.5
145.10110	18.2
147.11664	12.2
149.13261	26.0
150.13684	2.0
151.14809	4.3
153.12752	2.0
159.11697	14.9
161.13280	11.9
163.14821	18.8
164.15268	1.2
173.13284	16.5
175.14780	5.5
177.16451	6.9
181.98222	1.4
187.14807	11.8
191.14311	1.9
201.16434	4.4
205.15819	1.9
211.63034	1.3
215.17926	1.5
233.22641	8.5
243.21074	36.6
244.21437	4.1
245.22726	2.0
261.22131	100.0
262.22443	7.8
263.23721	2.2
279.23233	1.5
335.25873	6.3
351.77826	1.4
353.26868	12.8
354.27185	1.4
354.33688	8.6
371.70206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.64680	3.7
54.55542	3.4
55.01864	10.7
55.05513	39.2
57.03455	20.5
57.07069	11.1
67.05505	92.4
69.07077	56.0
69.41481	7.2
69.41872	10.2
71.04990	5.3
71.08633	29.2
79.05497	46.0
80.94841	8.5
81.07058	100.0
82.59990	3.7
82.94542	4.8
83.04987	9.4
83.08619	26.9
85.06532	7.1
87.03543	4.5
89.54313	3.8
91.05496	20.6
93.07042	49.0
95.04996	4.5
95.08603	71.5
97.06541	11.9
97.10168	22.1
99.08112	22.9
105.07057	13.5
107.08597	42.8
109.10150	46.2
111.08074	7.2
111.11765	4.4
113.09606	4.0
117.06986	3.9
119.08597	9.7
121.10152	26.2
123.11690	20.5
125.09618	11.6
131.08557	8.5
133.10156	5.8
135.11688	32.5
137.13249	11.5
139.11206	4.1
145.10081	8.2
147.11668	9.2
149.13208	11.0
151.14780	5.5
153.12714	9.7
159.11705	5.7
161.13232	4.8
162.84932	4.7
163.14809	14.1
164.70078	3.5
168.91914	3.7
173.11830	4.8
173.13248	10.0
178.30412	4.2
181.12383	4.5
187.14755	4.7
189.11259	7.5
204.94914	4.1
243.21103	17.2
261.22141	48.3
262.22513	6.4
279.23230	36.3
291.23178	10.0
312.48178	4.7
335.25708	16.1
336.32462	6.6
353.22534	6.7
353.26859	99.0
354.27115	17.8
354.33569	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40514	1.9
55.05264	1.9
55.05506	14.0
57.03433	5.5
57.07064	4.6
60.30283	2.0
65.03937	3.1
66.69346	1.9
67.05507	96.7
69.07068	18.5
70.53763	4.2
71.04991	3.5
71.08631	4.6
71.79989	1.7
77.03930	2.2
79.05493	49.1
81.07058	98.0
83.08611	8.0
85.06529	3.7
91.05475	23.2
93.07046	66.2
95.04965	4.0
95.08604	82.7
97.06525	5.4
97.10178	4.0
98.09697	2.4
99.08103	4.7
104.16015	2.1
105.07041	17.3
107.08590	37.5
109.10155	31.1
113.09635	3.5
117.07018	8.7
119.08582	16.0
119.59744	2.0
121.10146	35.3
123.11707	18.9
124.12010	2.0
131.08563	24.4
133.10104	10.8
135.11676	23.3
137.13257	10.2
137.86072	2.2
141.12903	2.1
142.12233	3.2
145.10132	17.0
147.11717	10.3
149.13266	20.5
151.14815	3.0
153.12737	3.0
159.11691	9.0
160.08818	1.8
161.13264	9.2
163.14807	17.0
165.12796	2.7
168.03784	1.7
173.13289	17.4
175.14746	4.6
177.12781	2.5
177.16420	6.7
187.14751	13.1
191.14333	2.6
201.16412	3.6
233.22595	5.0
243.21069	34.5
261.22128	100.0
262.22443	6.5
279.23270	4.1
335.25790	13.2
353.26877	10.8
353.32346	10.2
354.33688	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41413	1.7
52.43009	1.7
54.49929	1.7
55.01859	4.0
55.05290	2.1
55.05512	25.1
57.03431	17.4
57.07064	7.9
57.20602	2.0
65.03928	2.2
67.05504	92.0
69.07066	26.5
69.22582	10.7
71.04993	2.8
71.08633	66.5
72.08994	1.9
75.45743	1.9
79.05492	48.1
81.07056	100.0
83.04972	5.7
83.08613	14.5
85.06562	4.8
85.10146	2.3
91.05477	28.0
93.07043	56.1
95.04948	5.3
95.08604	72.2
97.06519	7.5
97.10162	9.8
99.08094	54.1
105.07019	24.7
107.08592	42.1
108.26913	1.8
109.06537	3.5
109.10150	34.2
111.08054	3.9
117.07016	6.4
119.08572	17.1
121.10143	29.4
123.08055	3.2
123.11700	17.3
125.09608	4.6
127.11218	2.5
131.08574	15.6
133.10120	8.7
135.08028	2.0
135.11696	24.9
137.13268	8.9
145.10112	12.2
147.11687	31.5
149.13249	18.8
151.14809	3.8
153.12766	6.3
159.11691	8.8
161.13260	7.9
163.11163	5.3
163.14835	15.1
165.12788	9.5
167.14392	2.9
173.13237	12.1
175.14929	2.7
177.16391	4.8
181.15933	5.0
187.14830	4.7
189.11336	2.3
201.16417	3.4
205.16031	2.5
233.22690	4.3
236.58830	2.2
243.21068	23.1
248.14766	2.1
261.22141	63.8
262.22498	3.6
279.20374	3.4
279.23178	25.8
280.23431	2.2
335.25690	5.0
338.81177	1.9
353.22519	3.6
353.26859	75.6
354.27209	6.6
354.33621	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42448	1.8
53.06452	2.0
55.01865	2.1
57.03422	2.7
65.63394	1.7
67.05478	1.8
70.65811	3.4
71.04978	5.8
73.02915	3.3
85.02896	2.8
85.06544	4.0
95.04967	4.0
98.16324	1.5
98.97607	2.7
101.02372	14.0
113.06002	100.0
114.06313	2.4
131.07022	27.3
137.10384	1.7
138.65744	1.6
139.07535	3.4
141.84813	1.8
142.62158	1.9
157.08577	5.1
175.09673	5.1
180.97859	2.2
198.98851	2.1
223.94670	1.9
245.56139	1.6
343.59790	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	354.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95815	0.7
55.05518	1.2
58.06594	1.6
67.05498	2.0
70.06040	1.8
70.06574	1.5
71.08643	2.3
72.08175	0.9
72.36642	0.8
79.05482	1.6
81.07043	2.7
82.56356	0.8
84.08143	5.0
91.05475	2.0
95.04996	0.8
95.08609	2.0
98.97589	1.6
102.09190	0.8
105.07013	1.9
119.08651	1.0
128.10698	6.4
142.12259	0.8
142.21747	0.8
151.07550	1.2
250.35725	0.9
271.12088	1.2
294.24173	1.8
299.39145	0.9
318.27960	1.8
336.22003	1.0
336.28854	4.8
354.23309	100.0
354.29642	11.4
355.23441	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	354.2424
Annotation	Levomethadyl acetate
Peak:m/z	Relative Intensity
55.05499	1.0
55.98128	0.5
56.05037	3.1
58.06597	1.7
67.05504	3.5
70.06593	6.8
71.07371	1.7
71.45407	0.5
72.08148	2.3
75.02356	0.6
77.03940	1.1
79.05495	3.6
80.94852	1.9
81.07054	1.7
82.06590	1.4
82.94510	0.6
84.08137	11.7
85.08911	1.0
86.09723	0.6
88.07633	1.1
91.05483	4.3
93.07031	1.7
95.04974	1.3
95.08622	1.5
96.08138	4.3
97.08955	0.5
98.09708	2.3
101.03899	1.7
103.05465	1.2
105.04485	0.5
105.07040	1.9
107.08674	0.5
107.45441	0.5
108.08118	1.0
110.09685	6.1
111.10469	1.7
112.11237	7.2
115.05444	6.4
117.07008	1.7
122.09695	0.8
123.39443	0.5
124.11237	2.1
127.05429	0.6
128.06226	4.7
128.10741	1.1
129.07022	2.8
131.08505	0.8
134.09665	0.9
138.12776	0.6
141.06990	3.9
142.07811	0.7
145.06535	0.6
151.07588	0.6
152.06236	2.1
153.07007	3.7
154.07776	1.0
155.08565	1.8
158.09680	0.5
165.07002	4.6
166.07767	1.4
167.08606	2.2
170.09636	0.7
178.07787	1.2
179.08566	1.7
181.10046	0.7
182.09706	0.6
191.08510	1.1
192.09331	0.8
199.44789	0.5
205.10127	0.7
206.19052	6.3
224.14389	0.6
226.15962	1.3
234.32358	0.5
244.82651	0.5
294.22162	41.2
295.22519	2.8
296.25586	0.8
312.23166	1.1
354.24258	100.0
355.24576	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	354.264
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03938	0.3
55.01863	1.3
55.05503	1.6
56.05029	1.0
57.03437	5.9
58.06596	0.9
67.05503	3.9
69.07069	3.5
70.06588	0.8
71.04994	2.4
72.04508	0.7
72.08150	5.2
79.05488	5.9
81.03416	0.4
81.07058	4.8
82.06591	0.4
83.04972	1.3
83.08624	0.6
84.08126	0.6
85.06531	0.8
85.08937	0.4
86.09689	0.5
91.05476	8.6
93.07039	6.4
95.04966	2.1
95.08604	4.4
96.08134	0.9
96.19670	0.3
97.06546	2.5
97.76723	0.3
98.09693	12.8
98.22688	0.7
99.08086	1.9
102.09164	0.8
105.04484	0.4
105.07024	5.0
107.04929	0.6
107.08602	2.5
109.06509	0.6
109.10152	0.5
110.09699	0.7
111.08092	0.5
112.11243	0.5
113.05992	0.5
113.09621	1.0
114.09161	1.3
115.07547	0.4
117.07007	2.7
119.08595	4.3
121.06496	0.9
121.10141	0.5
122.40453	0.3
123.08080	0.7
124.11236	1.0
125.09669	0.6
128.06227	0.6
129.07001	1.1
131.08546	2.4
133.06454	0.3
133.10114	2.5
135.08046	1.3
137.06102	0.3
137.09601	0.5
141.06985	0.3
142.12263	5.2
143.08572	1.4
145.10124	1.7
147.08008	0.5
147.11729	0.8
150.17583	0.3
151.07475	0.3
151.11208	0.4
157.10162	0.6
159.08006	0.3
159.11719	1.4
161.09615	1.5
171.11653	0.4
173.13246	0.7
175.11226	0.3
179.10622	0.5
179.50574	0.3
183.11617	0.4
291.35141	0.3
297.17914	0.3
318.24197	1.3
336.25330	7.2
337.25638	0.5
354.26358	100.0
355.26703	7.1
375.81488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
56.05028	1.5
56.46507	0.6
57.03443	0.9
58.06604	4.0
67.05521	3.4
69.07073	1.4
69.29462	3.7
69.29758	0.7
70.06593	2.3
71.05005	1.5
71.07386	1.1
71.27235	0.6
72.08140	1.7
79.05486	2.7
80.94824	1.0
81.07043	3.5
84.08150	8.6
88.07654	1.1
91.05471	1.2
93.07051	1.3
95.08591	1.9
96.08131	2.1
97.08942	0.8
98.09726	1.4
100.11264	2.1
107.08592	1.2
110.09673	1.8
111.04445	1.2
112.07619	0.9
112.11238	1.9
114.09162	2.9
123.08061	2.3
128.07066	1.4
128.10719	1.3
136.22839	0.7
147.11725	0.7
150.83044	0.7
182.15335	1.6
210.14879	3.4
257.92236	0.8
264.23236	2.8
280.78952	0.7
318.27859	3.6
336.24991	1.4
336.28967	19.5
337.21109	1.1
337.29343	1.5
354.30023	100.0
355.21875	0.8
355.25998	1.0
355.30252	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	354.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
56.05028	0.6
57.03429	0.5
58.06604	1.7
67.05509	3.3
69.07057	0.9
69.40082	0.8
69.40490	1.3
70.06596	6.5
71.05003	3.4
71.07361	0.5
72.08150	1.0
79.05495	2.4
81.07056	3.2
83.08641	0.4
84.08154	3.3
85.08920	0.7
86.09708	1.0
88.07632	5.7
91.05472	1.2
93.07035	1.3
95.08629	1.9
96.07607	0.4
96.08134	2.3
98.09693	2.3
105.07021	1.3
107.08569	0.8
109.10173	0.8
110.09677	4.0
111.10461	2.1
112.11231	2.5
114.09155	0.4
116.98591	0.4
121.10131	0.4
123.08076	1.9
124.11234	1.5
128.10696	1.1
138.12805	0.9
152.14360	0.5
166.15970	0.4
194.19070	1.0
264.23270	6.5
290.28430	1.3
318.27899	5.0
319.27963	0.5
336.28973	21.8
337.29111	1.8
354.30011	100.0
355.30325	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	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03941	0.4
55.01862	0.8
55.05514	4.9
56.05023	0.7
57.03184	0.4
57.03440	5.6
57.07075	1.0
58.06606	0.5
64.85635	0.4
67.05165	0.5
67.05508	8.8
68.05843	0.5
69.07066	6.8
69.64619	1.6
70.06558	0.6
71.08649	0.7
72.04498	0.9
72.08152	5.9
77.03933	0.4
79.05498	4.9
81.07058	10.3
81.92994	0.3
82.07370	0.5
83.04993	0.5
83.08620	2.9
84.08139	0.8
85.06561	0.8
86.09701	0.5
91.05487	1.6
93.07043	3.5
94.07387	0.7
95.04978	0.8
95.08601	9.3
96.08154	0.4
96.08936	0.6
97.06543	2.1
97.10165	1.4
97.50713	0.3
98.09696	12.9
98.22698	0.7
99.08109	2.2
99.10055	0.5
102.09187	0.5
105.07027	0.9
107.08601	3.0
109.10119	2.0
113.09649	1.6
115.07605	0.5
118.17284	0.4
119.08617	1.1
121.10148	1.9
123.11714	0.5
124.11234	0.6
125.09632	1.1
133.10127	0.8
135.11707	1.1
142.12282	4.3
147.11681	0.7
149.13234	0.6
158.15376	0.4
163.14890	0.4
192.79997	0.3
205.36905	0.4
262.22528	1.5
291.26660	0.4
318.31693	0.5
333.21014	0.4
336.32599	7.4
337.32840	0.8
354.33652	100.0
355.18680	2.3
355.34027	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.24600	0.4
55.05502	2.5
56.05035	0.7
57.03432	1.5
57.07077	15.9
67.05503	5.2
69.07079	3.2
70.06596	0.7
70.80965	0.4
71.08634	9.6
72.04532	0.7
72.08156	3.8
79.05486	0.6
81.07055	6.3
83.08626	2.3
85.10178	4.4
86.09695	0.8
88.07634	1.0
91.05510	0.6
93.07066	0.8
95.08614	9.0
97.06541	1.8
97.10159	2.4
98.09692	13.4
99.08089	1.3
109.10143	5.0
110.09717	0.4
113.09637	0.5
121.10123	0.4
123.11707	1.9
124.11222	0.6
127.44131	0.4
128.10721	1.4
137.13222	0.5
142.11176	0.9
142.12273	13.0
150.56964	0.3
163.42166	0.4
174.09807	0.4
197.19057	1.9
264.21082	0.4
291.26956	0.6
336.29016	0.5
336.32520	2.0
354.33655	100.0
355.34021	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	355.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	12.4
58.06589	23.1
60.04510	14.0
60.84489	10.8
70.06590	53.0
72.08148	20.0
73.79088	11.3
75.08080	8.8
78.79175	9.4
79.94779	10.3
84.04484	25.1
84.08132	32.1
86.09734	13.4
95.46800	9.7
97.02887	31.4
98.97585	40.7
107.08661	10.3
110.07150	63.9
110.97568	19.0
112.05894	11.4
116.98632	22.7
120.08089	31.4
135.18808	11.8
136.06239	17.3
163.03903	37.8
179.63855	10.6
193.05069	13.9
202.04507	11.0
207.11244	13.9
208.11636	16.8
219.01556	13.3
219.95448	12.1
237.02803	26.3
250.09369	24.6
297.15121	11.1
340.16718	13.3
355.07352	70.8
355.13342	100.0
355.20340	26.1
355.90268	12.3
362.14825	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	355.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.7
64.90314	0.5
69.07083	0.5
70.06594	1.5
71.08669	0.5
72.08153	1.0
84.08129	1.0
87.84677	0.5
94.62019	0.4
98.97601	0.5
102.47750	0.4
109.89344	0.6
110.07175	2.1
128.00084	0.5
136.06184	0.9
177.01584	1.3
185.04259	3.2
192.03946	14.6
193.04782	6.6
324.08240	2.6
325.08878	1.0
353.46826	0.5
355.09998	100.0
355.13632	5.0
356.10233	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	355.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.6
56.05043	1.4
56.96560	6.7
57.03434	8.2
57.07066	4.2
58.06601	1.8
65.03923	1.2
67.05508	21.6
68.05502	1.1
68.05830	1.7
69.07071	14.4
69.47251	1.9
69.47640	2.5
70.06594	12.4
71.05008	2.2
71.08624	1.5
72.08146	4.9
74.06097	1.1
79.05499	7.2
81.07058	23.2
82.07389	1.2
83.08618	5.0
84.08157	2.0
85.06561	1.5
88.07629	16.3
91.05468	3.3
93.07069	5.6
95.08607	18.7
97.06535	4.0
97.10191	3.5
98.09698	13.1
98.97563	1.4
99.08080	3.6
102.09186	4.7
105.07051	1.6
106.08667	7.2
107.08551	5.9
109.10173	5.1
110.89124	1.1
110.97594	2.4
111.08060	1.3
113.09649	2.6
113.94509	1.2
119.08605	2.0
121.10158	3.0
123.11694	2.1
124.95400	1.0
128.98599	3.8
133.10114	1.9
135.11705	3.1
141.13016	1.1
142.12296	6.1
143.00182	1.3
146.99677	3.0
149.13281	1.5
151.07538	2.7
152.02394	1.0
212.20236	1.4
315.16342	11.5
318.07581	1.8
333.17365	21.8
336.32520	6.2
337.32901	3.3
338.34265	2.9
351.18445	5.9
354.33661	100.0
355.16418	39.2
355.29437	2.6
355.33966	52.5
356.19031	3.8
356.35217	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.03455	0.3
58.06594	0.3
61.32798	0.2
61.98735	0.2
67.05484	0.7
67.87569	0.3
69.03419	0.3
69.07060	0.4
69.65019	0.2
70.06594	1.5
70.76437	0.2
71.04998	0.5
71.44180	0.3
72.08167	0.4
79.05492	0.6
81.07042	0.8
84.04498	0.4
84.08147	1.2
85.06544	0.3
86.06003	0.3
86.09702	1.7
87.99371	0.3
90.30586	0.3
91.04946	0.3
91.05486	0.7
93.07050	0.4
95.04947	0.3
95.08601	0.6
96.08106	0.3
97.06518	0.4
97.48424	0.2
105.07039	0.3
107.08620	0.4
109.06483	0.8
114.09160	0.6
119.08606	0.3
124.07612	0.3
128.10728	1.4
132.10205	0.4
136.06236	0.3
151.07593	0.4
173.11790	0.2
182.15431	0.5
191.03381	0.3
192.03284	0.3
201.03790	0.6
203.05325	0.5
210.15007	0.8
219.02953	0.3
228.15945	0.4
294.05359	0.4
310.27426	0.3
337.07178	1.0
337.23138	1.3
338.19675	2.5
338.26938	0.5
354.26706	0.5
355.17288	100.0
356.17596	6.0
356.24167	1.3
356.28030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.21506	0.4
58.06594	0.6
59.34199	0.4
69.07076	0.6
70.06577	1.8
71.45701	0.4
72.08140	0.6
79.05501	0.7
81.07056	0.7
84.08150	0.6
86.09695	1.9
89.46857	0.4
91.05471	0.5
95.08607	0.6
105.07016	0.4
109.06494	0.5
110.09676	0.7
110.16390	0.4
114.09121	0.6
119.08565	0.5
124.07555	0.5
128.10738	1.9
135.08005	0.5
182.15396	0.7
184.12930	0.4
193.12073	0.5
203.05362	0.4
206.32280	0.4
210.14972	1.0
228.15918	0.6
277.67227	0.5
337.07156	1.2
337.23026	0.6
338.19586	1.9
355.17261	100.0
356.17520	5.4
356.24335	1.2
356.28091	1.2
373.20514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73227	0.8
56.96552	0.9
58.06577	0.9
62.71983	0.8
67.05513	0.9
69.99771	2.1
70.06584	2.2
77.96964	4.2
80.94842	1.6
91.05492	1.1
92.55251	1.0
94.73444	0.9
98.97555	2.4
103.98492	1.8
114.89308	1.4
116.98563	1.6
116.99279	1.5
132.30154	0.9
133.76984	1.0
145.02455	0.9
151.07523	3.8
163.02823	1.5
207.40288	0.9
213.08685	1.5
227.10211	4.3
229.11829	3.0
244.33987	1.0
252.54196	1.0
274.97620	1.6
285.10669	2.2
292.98502	1.1
315.14923	1.5
318.10635	1.1
333.15765	1.2
337.17389	2.2
337.27151	3.9
340.16599	2.4
354.27591	1.1
355.18564	100.0
355.27853	10.6
356.18900	6.7
356.26352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94709	0.6
53.89102	0.6
62.98262	4.1
66.92263	0.5
67.05508	1.3
69.47104	2.7
70.06579	0.7
72.08160	1.2
79.05511	0.9
81.07063	0.9
84.08148	0.9
93.07082	0.7
95.08628	1.3
116.98573	0.6
128.10741	0.7
129.26947	0.6
131.04478	1.1
151.07489	0.9
169.66263	0.6
183.73930	0.7
217.08322	0.7
250.40440	0.6
267.13281	1.7
269.11237	17.9
289.12827	0.7
295.22406	0.7
337.17487	4.5
350.98663	0.6
354.33661	1.4
355.18573	100.0
356.18915	7.8
356.25906	2.3
365.03873	0.7
365.98608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08561	1.6
55.05261	2.5
55.05514	36.6
57.03433	9.3
57.07080	17.0
63.17018	1.6
65.03922	2.5
67.05505	83.8
68.05832	2.2
69.07071	40.0
69.25135	7.8
70.06590	5.6
71.08623	8.1
73.68542	1.5
79.05488	26.9
81.07056	100.0
83.04980	4.8
83.08625	31.1
85.06535	2.9
85.10205	3.5
88.07637	5.7
91.05487	20.6
91.33109	1.8
93.07048	29.2
95.04954	2.9
95.08607	83.7
97.06514	9.9
97.10168	18.1
98.09706	3.5
99.08090	3.6
105.07030	15.1
106.08657	3.3
107.08598	20.5
109.06551	2.1
109.10167	42.1
111.08059	4.5
111.11720	7.8
113.09647	2.4
119.08579	18.1
121.10139	23.2
123.08019	2.4
123.11717	23.2
125.13230	2.7
129.05486	2.2
133.10127	20.0
135.11711	13.1
137.13235	9.0
139.11185	2.4
141.12749	3.7
147.11699	13.3
149.13257	16.1
151.11162	3.4
151.14825	6.8
155.14294	2.8
161.13269	17.0
163.14836	10.8
165.16457	5.6
175.14828	11.3
177.16464	2.4
179.14340	2.1
179.17963	7.7
181.15868	2.5
189.16344	5.3
221.91649	1.7
227.12743	2.3
241.58130	2.0
245.22629	45.0
246.23019	3.8
263.23691	51.7
264.24036	2.8
333.52771	1.8
337.27368	31.2
338.27795	2.9
338.34088	5.1
355.22705	2.1
355.28638	9.0
355.33817	9.1
356.35196	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03945	2.1
55.05509	31.5
55.24749	1.7
57.03436	10.7
57.07080	22.5
61.00868	1.6
63.80038	1.5
67.05504	75.6
68.05835	2.1
69.07066	36.0
70.04317	4.2
70.04649	2.3
70.06595	4.8
71.05009	4.1
71.08640	7.2
72.08157	2.9
73.84585	1.8
79.05496	27.1
81.07052	100.0
81.31215	1.8
82.07384	2.7
83.04995	2.8
83.08621	29.0
85.06537	4.9
85.10171	8.6
88.07640	7.8
91.05482	19.1
93.07043	28.6
95.04980	2.7
95.08604	78.5
96.08999	1.9
97.06535	9.0
97.10168	20.2
97.10749	2.6
98.09715	5.2
98.23434	2.7
99.08097	5.6
102.09171	2.4
104.44207	1.6
105.07032	12.2
106.08698	3.0
107.08578	21.7
108.87302	1.7
109.10162	36.8
111.08060	4.8
111.11723	6.4
113.09667	6.1
119.08575	14.0
121.10139	26.7
123.11684	22.3
125.09637	2.0
125.13259	2.8
128.13123	1.6
133.10110	18.8
135.11694	15.7
137.09610	2.1
137.13240	8.7
139.11179	2.7
141.12741	2.4
142.12292	1.7
147.11685	13.3
149.13234	14.7
151.14821	9.4
155.14285	3.1
161.13272	14.9
163.14795	12.9
165.12787	2.2
165.16394	7.1
175.14842	10.9
177.16441	3.5
179.17978	6.6
186.45718	2.0
189.16409	5.1
190.36746	2.0
217.19579	2.6
245.22658	47.5
247.24225	3.1
260.94397	2.1
263.23703	50.4
264.24075	2.2
265.25397	2.2
279.89850	2.1
281.44583	2.3
299.25760	2.8
337.27307	26.3
338.27679	3.2
338.34250	6.5
355.28555	9.4
355.33801	9.9
356.35190	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05510	12.4
56.05034	1.3
56.05835	0.8
56.50040	0.6
57.03444	9.9
57.07074	5.4
58.06607	0.9
67.05505	25.7
69.07071	18.4
69.37384	2.3
69.37801	1.6
70.06591	2.5
71.04991	1.4
71.06941	0.8
71.08620	3.0
72.04493	0.9
72.08157	6.6
79.05495	7.4
81.07058	29.9
82.07391	0.9
83.04973	1.3
83.08618	9.9
83.73899	0.6
85.06544	1.2
85.10186	1.3
85.45683	0.6
88.07639	2.9
91.05485	5.4
93.07043	10.5
95.04968	2.0
95.08610	25.2
96.08905	0.9
97.06538	5.2
97.10171	7.0
98.09695	14.9
98.22652	1.3
98.97602	1.0
99.08089	3.0
100.62497	0.7
102.09169	0.9
105.07049	5.7
106.08664	1.6
107.08570	7.5
109.10164	13.0
110.02711	0.6
110.09706	0.9
111.08079	1.3
111.11720	2.1
113.09641	2.6
119.08587	5.9
121.10154	8.2
123.11711	4.6
124.11187	0.7
125.09640	1.3
128.10721	1.7
131.08543	1.2
133.10159	4.3
135.11696	5.7
137.13264	2.5
137.53864	0.7
142.12265	6.8
145.10167	1.6
147.11700	2.8
149.13269	3.1
151.07593	1.5
151.14828	1.8
157.10155	0.8
161.13275	3.9
163.14835	2.2
165.07054	0.8
165.12700	1.0
165.16432	1.0
169.10175	1.1
175.14818	1.7
175.87030	0.7
179.17909	1.1
189.16380	1.1
193.10115	1.4
195.11775	0.7
205.54654	0.7
207.11760	1.0
209.13300	0.8
229.10127	0.8
243.11722	1.2
245.22653	10.5
255.11856	0.7
260.34830	0.7
261.16467	1.1
263.23712	10.3
269.13364	1.0
270.14038	1.0
271.14871	0.9
283.14789	1.7
284.15622	1.1
285.16376	1.4
293.28476	0.9
297.16455	1.0
299.18085	1.5
311.18076	1.0
312.18613	0.8
319.24509	0.8
325.19611	0.7
333.17358	1.5
337.27390	7.6
337.32910	2.0
338.27548	0.9
338.34155	9.3
340.21777	0.7
354.98434	1.3
355.24289	17.0
355.28943	1.6
355.33966	37.5
356.24451	1.8
356.35217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01871	2.8
55.05281	1.6
55.05515	32.2
57.03437	6.8
57.07086	12.4
60.49224	2.1
67.05505	80.6
67.64255	2.3
68.05822	3.4
69.07068	34.8
69.27652	2.6
69.77132	9.0
70.36127	2.0
71.08631	7.7
74.06098	2.7
79.05489	25.1
79.19081	2.4
81.07056	100.0
82.07439	3.8
83.08622	28.7
85.10175	3.7
88.07635	2.8
91.05481	17.9
93.07045	35.8
95.08611	88.8
95.09220	4.9
96.08942	4.2
97.06526	9.1
97.10175	20.4
98.23551	2.5
98.97591	2.7
99.08109	6.2
105.07032	14.3
107.08594	23.3
109.10168	50.3
111.08091	3.4
111.11718	8.4
119.08573	14.9
121.10134	34.2
123.11704	32.1
125.09702	2.4
133.10144	16.2
135.11697	18.0
137.09616	2.8
137.13272	9.3
138.10255	2.4
146.16423	2.3
147.11664	14.0
147.84756	2.3
149.13269	14.5
151.14819	9.4
155.14217	2.1
161.12073	2.7
161.13226	14.7
163.14832	17.3
165.16438	9.2
175.14845	11.9
179.17969	7.1
189.16380	4.3
245.22667	60.1
246.22943	3.4
246.40314	2.3
263.23682	59.1
264.24008	3.0
286.93057	2.4
336.62024	2.7
337.27386	33.1
355.18503	5.6
355.28369	6.5
355.33966	14.8
356.35156	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87327	0.2
56.05036	1.2
58.06603	100.0
59.06928	1.3
64.92362	0.2
73.05294	1.2
88.07632	2.2
104.71050	0.3
106.62840	0.3
118.08672	2.3
126.03558	0.3
129.44629	0.3
145.46243	0.3
188.77348	0.3
188.87920	0.3
338.23080	0.3
338.26727	0.4
356.24310	34.9
357.24741	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	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05515	3.8
56.05038	3.1
57.03439	1.4
58.06333	0.7
58.06605	10.4
59.05017	0.7
60.08154	0.4
67.05521	3.5
67.19894	0.4
69.03432	0.4
69.07068	1.8
69.81467	0.8
69.81818	0.8
70.06593	2.4
71.05001	0.9
72.04522	0.4
72.08158	58.7
73.08487	0.7
76.14206	0.4
79.05496	1.9
81.03423	0.5
81.05798	0.8
81.07068	4.0
82.06579	3.6
83.04986	2.4
83.07378	0.5
83.08629	1.5
84.08145	6.4
85.08929	1.8
87.06872	0.5
91.05486	1.1
91.08270	0.5
93.07056	2.0
94.06558	0.6
94.49024	0.4
95.04979	1.8
95.08627	3.6
96.08144	7.0
97.06552	1.3
97.10174	0.6
98.09698	22.8
99.04465	1.1
100.07629	1.2
100.11266	8.3
102.09184	92.5
102.42118	0.4
103.09502	1.6
105.07017	1.1
107.08596	1.5
108.08123	4.7
109.10191	1.1
110.09692	0.9
111.06847	2.0
111.08147	0.4
112.07630	0.5
119.08572	0.9
121.10153	0.6
123.45023	0.4
124.11264	1.0
125.06013	1.3
126.09160	38.4
127.09478	0.6
128.10683	1.0
131.08569	0.5
133.10179	0.7
135.08159	0.5
141.07001	0.5
144.10168	3.4
152.10718	3.6
154.08690	0.9
161.12001	0.6
166.52211	0.4
170.11769	9.2
172.09717	4.1
198.39897	0.5
248.46927	0.5
273.91696	0.5
274.97537	0.6
277.21701	0.5
320.25839	51.5
321.26117	3.6
338.26898	16.9
338.30234	0.9
339.27243	1.3
356.28006	100.0
357.28384	5.8
378.71143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99420	3.0
55.05509	9.1
57.03441	4.6
57.07074	4.2
59.04992	3.3
67.05497	11.8
69.07052	8.8
70.06591	4.8
72.08152	5.7
79.05489	13.8
81.07059	59.1
83.08630	3.2
86.99025	3.2
91.05480	17.9
93.07043	50.6
95.04974	10.9
95.08637	17.7
98.22625	8.1
98.97545	4.9
105.07031	11.8
107.04951	3.6
107.08595	51.7
109.06541	17.7
109.10159	14.7
119.08574	8.2
123.11697	6.8
125.09624	3.4
128.06148	3.3
128.10715	6.0
133.10139	4.5
135.11693	100.0
135.99002	3.0
136.11996	4.2
144.10199	4.6
151.11197	6.8
246.10321	3.7
265.22723	3.0
274.97415	3.5
292.98508	5.2
338.28192	5.1
338.33969	3.6
339.28937	3.5
356.18698	5.6
356.31305	11.9
356.34927	8.9
357.19858	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	356.3523
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.01860	0.4
55.05297	0.3
55.05514	3.7
56.05021	0.5
56.58915	0.3
57.03179	0.5
57.03434	7.2
57.07072	2.4
58.06589	0.4
65.28372	0.3
67.05505	4.9
69.07066	6.3
69.91029	0.7
70.06596	0.5
71.04974	0.4
71.08620	1.0
72.04501	0.5
72.08149	3.1
79.05476	2.2
81.06575	0.4
81.07050	6.2
82.07378	0.4
83.04940	0.5
83.08614	3.0
84.08148	0.6
85.06544	0.9
85.08995	0.4
91.05458	0.4
93.07030	1.4
95.08608	5.8
97.06519	2.2
97.10165	1.9
98.09689	12.1
98.23331	0.5
99.08079	1.3
99.09991	0.5
102.09199	0.6
104.81861	0.3
106.98369	0.3
107.08631	0.8
109.10158	2.0
111.08142	0.4
111.11729	0.5
113.09629	1.7
114.79337	0.3
121.10139	1.1
123.11695	0.9
124.11231	0.5
125.09642	0.9
135.11687	0.6
142.12270	5.2
143.22395	0.3
163.14868	0.3
169.92079	0.3
204.61740	0.4
218.35773	0.3
219.12981	0.3
241.67975	0.4
249.26436	0.4
280.04556	0.3
293.27972	0.7
320.33340	0.4
338.34180	7.6
339.34525	0.7
356.35193	100.0
357.35538	8.2
357.40042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1182
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
56.05056	1.5
69.07050	1.7
69.90615	3.1
69.90997	2.5
70.06597	17.3
72.08163	6.4
79.05508	2.0
81.90937	1.2
84.04527	1.3
84.08144	10.2
86.09711	4.7
88.27612	1.1
89.03910	10.2
91.05490	1.8
95.72967	1.2
98.09674	1.5
105.07038	1.4
116.07128	1.7
117.03391	18.3
124.07529	1.6
128.10715	6.9
129.10233	7.1
130.08784	1.8
130.78223	1.2
134.03636	3.5
135.04405	2.4
145.02855	44.8
149.05997	7.8
163.03970	3.5
177.05476	100.0
178.05835	4.0
187.10805	2.4
195.02939	2.9
195.06523	45.0
196.06885	2.3
199.10619	1.2
203.06938	1.4
211.06914	5.1
265.08408	1.3
356.24237	2.0
357.15277	36.0
357.24573	9.0
358.13675	5.5
358.17923	2.4
358.21918	1.8
358.25922	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	357.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22747	0.4
55.01879	0.4
55.05505	1.4
56.05014	0.5
57.03431	1.4
57.07067	0.4
58.06589	1.3
67.03796	0.4
67.05505	3.4
69.03433	0.5
69.07063	1.7
70.06602	2.6
71.05004	0.7
71.08601	0.4
72.08157	5.4
79.05486	1.9
81.03423	0.6
81.07060	4.5
83.04980	0.6
83.08594	0.6
84.08147	1.1
85.06515	0.6
86.09711	1.5
91.05479	1.3
93.07054	2.8
95.04969	2.4
95.08605	3.6
96.05289	0.5
96.08117	1.4
97.06531	1.3
98.09702	3.2
98.97593	0.7
99.08099	0.7
99.10073	0.7
105.07041	1.3
107.08587	1.3
109.06520	0.7
109.10143	1.4
110.07194	0.5
111.08105	0.6
113.05972	0.5
116.98658	0.6
121.10149	1.2
123.08040	0.8
123.11707	0.8
128.10780	0.6
129.06989	0.6
129.10211	0.5
131.08606	0.6
133.10222	0.5
142.12285	0.5
147.11653	0.9
149.13295	0.6
156.10286	0.6
156.13858	1.8
159.11623	0.4
175.14859	0.4
195.13704	0.9
237.09161	0.4
303.22989	0.6
321.25989	1.3
322.27344	1.1
338.26706	0.7
339.17310	0.6
339.27246	3.8
340.28424	4.6
350.30505	0.7
356.27972	1.6
357.18826	100.0
357.28198	9.8
358.19321	6.2
358.23621	0.9
358.29462	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	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	3.1
55.05513	37.6
57.03429	5.1
57.06870	2.1
57.07080	25.1
58.06580	1.9
67.05499	37.9
69.07070	45.0
69.18788	2.0
69.27267	11.5
70.06592	17.3
71.04984	2.8
71.08632	16.3
79.05489	20.7
80.94841	2.4
81.07059	41.8
83.08628	33.0
85.10179	5.2
88.07634	22.3
89.07953	2.5
91.05479	2.2
93.07045	30.0
95.08607	45.0
97.06519	14.5
97.10176	19.0
99.08105	2.6
102.09174	4.9
106.08661	9.3
107.08569	21.5
109.10157	16.9
111.08088	5.7
111.11707	7.2
115.07581	2.5
121.10151	42.9
122.10532	2.3
123.11714	7.0
125.09583	4.2
135.10747	3.8
135.11694	31.9
137.13229	5.0
139.11131	2.8
146.76306	2.8
149.13263	15.7
151.14830	4.4
153.12729	2.7
163.14792	5.4
164.92046	2.4
165.16429	3.5
177.16429	4.1
191.17967	2.7
247.24228	37.9
248.24400	2.3
265.25250	36.5
266.25626	3.4
339.28973	34.6
339.34573	5.1
340.29346	3.6
340.35687	4.0
357.14691	3.6
357.30994	5.5
357.35550	100.0
358.36789	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
56.05034	1.9
57.07074	2.5
57.51438	0.5
61.98122	0.4
67.05502	1.9
69.97836	1.2
70.06599	0.4
71.08620	1.6
72.11365	0.4
77.36314	0.4
79.05489	0.4
80.94839	0.7
81.07057	1.3
84.08144	100.0
85.06573	0.6
85.08490	1.7
85.10194	0.5
86.09688	1.1
87.04464	2.4
93.07061	0.7
95.04953	0.6
95.08598	2.0
98.22730	0.7
98.97585	0.7
116.98606	1.0
119.08614	0.5
129.10219	2.0
130.08635	8.8
144.96693	0.4
147.11295	2.9
155.25615	0.4
217.08165	0.5
244.57170	0.5
294.27899	10.5
295.28143	0.9
311.30402	0.7
334.90289	0.5
339.19284	1.0
354.34863	0.4
357.20117	8.0
357.23837	0.6
357.31094	21.0
358.20010	2.1
358.27457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2378
Annotation	Spiradine G
Peak:m/z	Relative Intensity
52.74389	0.6
53.03939	0.7
55.01875	1.7
55.05525	2.9
56.05043	1.3
57.03436	2.2
57.07076	0.6
58.06607	3.4
65.68628	0.5
67.05508	4.2
69.07072	3.1
70.06589	3.8
70.07442	0.6
70.55305	0.6
70.55676	1.0
71.05001	3.6
71.07368	1.5
71.14901	0.5
72.08158	100.0
73.08490	0.6
75.02334	0.7
76.60545	0.6
79.05508	3.6
81.07059	6.1
83.04969	3.3
83.08616	1.3
84.08159	2.3
84.18943	0.6
85.08945	0.9
86.09707	3.5
91.01835	1.1
91.05489	3.7
93.07036	3.4
95.04975	2.8
95.08604	4.3
96.08167	0.9
97.06550	3.4
98.09695	10.5
99.08113	0.6
100.07635	2.0
101.03951	1.5
101.06071	0.6
102.09171	3.1
105.03445	0.8
105.07050	1.4
107.08610	1.3
109.06522	6.8
109.10193	0.9
110.09728	1.1
111.08112	0.8
113.06050	0.6
114.09199	1.0
115.05465	14.0
115.06229	1.0
117.07049	1.1
119.08621	0.6
121.10183	0.9
124.11206	2.8
127.07589	1.2
128.06253	1.5
128.10748	1.0
129.07002	1.7
133.10205	0.7
135.08109	0.9
141.07007	10.4
141.08072	0.9
142.12259	1.5
152.06197	0.7
153.07050	2.2
154.07733	1.1
155.08676	0.8
156.13899	0.8
157.10144	0.6
165.07051	1.5
172.13322	9.8
173.13562	0.7
178.07857	0.7
180.09259	0.7
192.69077	0.6
322.21490	1.3
322.27628	2.5
340.22852	18.9
340.28583	28.7
341.22958	1.5
341.28955	1.7
358.23871	66.4
358.29526	16.4
359.24188	5.6
359.29315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05511	2.1
55.41776	0.3
56.05025	0.6
57.03440	1.9
58.06602	1.6
67.05500	3.6
69.03431	0.6
69.07066	10.4
70.06590	1.2
71.04984	0.9
72.04485	0.5
72.08154	7.8
79.05486	2.8
81.07059	4.1
83.04974	1.3
83.08614	1.0
84.08143	1.6
85.02926	0.5
85.06542	1.0
86.06074	2.4
86.09702	100.0
87.10031	1.4
91.05470	1.9
93.07041	2.9
95.04968	1.6
95.08601	3.0
96.08157	0.8
97.06519	1.7
98.09693	9.8
99.08100	0.8
100.07613	0.4
101.06004	0.7
101.08423	0.4
102.09203	0.6
105.07031	1.6
107.05022	0.3
107.08588	1.4
108.08144	0.4
109.06500	1.0
109.10155	0.8
110.09674	1.0
111.04438	0.7
111.08076	0.8
114.09151	1.0
115.07569	0.4
116.10734	3.4
117.06967	0.4
119.08562	1.4
121.06538	0.3
121.10107	0.7
122.09592	0.3
123.08090	0.5
124.07616	0.4
124.11233	0.6
128.10715	3.7
129.10214	0.3
131.08583	0.5
132.10210	0.4
132.37752	0.3
133.10156	1.2
135.11710	0.6
142.08659	1.4
142.12282	3.5
144.10219	0.3
145.10139	0.5
147.11678	1.3
151.11162	0.4
154.08595	0.5
156.13815	3.3
158.11795	0.4
161.09631	0.7
164.10747	0.5
165.12860	0.3
182.08197	0.4
182.15585	0.4
190.12291	0.4
197.11697	0.6
198.14980	0.3
199.18047	31.5
200.18375	1.4
205.04939	0.4
212.16449	1.2
222.19493	0.3
226.14398	2.5
227.17532	16.3
228.17877	0.8
230.17474	1.9
244.15443	8.2
245.08990	0.7
245.16035	0.6
245.18639	4.1
268.11746	0.3
312.25479	0.4
322.27307	0.9
340.21497	0.6
340.24911	0.6
340.28467	8.6
341.28708	0.9
350.10388	0.3
358.13028	0.7
358.17383	2.8
358.25781	4.4
358.29544	41.4
359.16956	0.5
359.26239	0.5
359.29861	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	358.2701
Annotation	Leucyl-leucyl-norleucine
Peak:m/z	Relative Intensity
55.05503	1.5
56.05023	0.9
57.03439	0.9
58.03268	0.4
58.06608	1.2
67.05508	1.7
69.03444	0.4
69.07065	6.6
69.23505	0.4
69.41806	1.5
69.42181	0.8
70.06593	3.4
71.04971	0.6
72.08157	4.5
79.05496	1.7
80.23784	0.4
81.07049	2.8
84.08134	1.0
86.05487	0.4
86.09707	100.0
87.10038	1.6
91.05463	1.1
93.07048	1.7
95.04993	0.5
95.08609	3.7
96.08114	0.4
97.06543	1.2
98.09698	4.9
100.07607	0.5
102.09178	0.7
105.07032	0.8
107.08610	0.8
109.06509	0.5
110.09605	0.4
112.08759	0.6
113.09694	0.4
114.10252	0.4
119.08544	0.7
121.10141	0.6
122.09621	0.5
126.12708	0.4
128.10718	1.4
132.10208	1.6
142.08679	0.7
142.12305	2.2
145.10088	0.4
147.11673	0.6
156.13881	0.9
199.18056	27.6
200.18463	0.9
217.44588	0.4
227.17540	18.1
228.17802	0.7
245.18616	7.8
246.18913	0.5
324.20190	0.9
340.24982	0.6
340.28445	3.1
358.19547	2.8
358.29559	30.1
359.14597	0.5
359.29840	1.9
379.00537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2743
Annotation	20-Epikibataline
Peak:m/z	Relative Intensity
50.37186	0.3
55.05499	0.9
55.90041	0.3
56.05033	1.3
57.03427	0.4
57.07061	0.6
58.02972	0.3
58.06605	1.9
67.05508	1.6
68.05002	0.4
69.07061	0.9
69.52320	1.1
70.06591	1.2
71.07375	0.5
71.08646	0.5
71.43899	0.2
72.08153	0.8
79.05482	0.8
80.94847	1.0
81.07051	1.1
82.06572	1.5
82.94518	0.4
83.08607	0.3
84.08135	1.6
87.04464	0.9
88.07627	0.5
91.05483	10.4
93.07034	1.0
94.06584	0.7
95.04966	0.3
95.07368	0.4
95.08601	0.8
96.08120	1.0
98.06069	0.3
98.09685	0.4
98.22726	0.4
98.43764	0.4
98.97559	0.7
101.06010	0.4
102.00364	0.3
105.07041	1.1
108.08125	2.4
109.08903	0.8
110.09686	4.2
111.54715	0.3
116.98610	0.3
117.07008	0.8
120.08057	0.3
122.09672	1.8
123.10416	0.6
124.11243	2.0
126.09191	0.5
129.09152	0.3
131.08516	0.8
134.09673	0.3
136.11176	0.5
141.11484	1.2
154.12303	0.7
156.17447	0.4
156.94798	0.3
207.06679	0.3
258.22214	0.3
272.23752	5.2
273.24142	0.3
284.23737	0.3
296.23740	2.6
296.33130	1.0
300.23358	0.7
310.25262	3.2
312.26865	3.1
316.98386	0.4
330.27859	0.7
334.90204	0.7
340.22449	0.6
340.26346	7.2
341.26794	0.4
358.27399	100.0
358.36505	4.6
359.27698	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	358.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.1
57.03437	2.6
58.06601	3.1
59.21888	0.6
67.05504	4.7
69.07067	5.4
69.44263	2.8
70.06610	0.9
71.04993	1.6
72.08147	4.0
79.05488	1.9
81.07059	14.1
81.48993	0.6
83.08616	1.8
84.08149	1.0
84.95187	0.6
85.06553	1.5
86.09712	16.4
91.05482	1.8
93.07047	2.7
95.04946	0.7
95.08611	10.3
96.08146	0.7
97.06532	2.7
97.10175	2.2
98.09694	12.8
98.59924	0.8
99.08125	1.6
99.87392	0.6
105.07013	3.2
107.08601	2.0
109.06507	0.8
114.09155	0.6
119.08587	2.1
121.10144	2.2
123.11711	1.9
124.11214	0.8
131.08533	1.0
137.05972	2.9
137.13239	1.7
142.12268	13.3
144.10187	0.8
147.11681	2.8
153.05479	2.8
165.12706	0.7
199.18051	5.8
201.09203	1.4
219.10164	2.9
222.18533	0.7
227.17545	2.0
244.15463	1.8
296.26105	1.0
334.90540	0.8
340.24878	1.0
340.28458	2.9
341.13797	0.8
358.25845	4.1
358.29520	100.0
359.29886	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	358.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93332	0.5
55.01884	0.6
55.05516	3.5
56.05058	0.6
57.03438	5.5
58.06608	1.4
59.05006	0.9
67.05510	6.7
67.99186	0.6
69.03411	0.7
69.07069	5.8
69.22059	0.6
69.79568	0.9
69.79903	1.2
70.06589	3.1
71.04987	1.4
71.08662	0.5
72.04488	0.6
72.08158	5.3
74.02370	0.6
79.05490	4.1
81.07053	12.3
83.04972	1.4
83.08607	1.3
84.08141	2.7
85.06565	1.3
86.06065	0.9
86.09705	98.9
87.10048	1.7
91.05482	2.5
93.07031	3.8
95.04967	0.9
95.08599	7.7
96.08098	0.9
97.06548	3.1
97.10182	0.8
98.09068	1.0
98.09695	14.4
98.23460	0.6
99.08102	2.5
99.10037	0.6
100.07599	0.7
105.07027	3.3
107.08589	2.4
109.06477	1.0
109.10165	2.1
111.08087	1.3
113.09628	0.8
115.07580	0.7
116.10718	1.4
119.08585	1.7
121.10126	3.0
123.11694	1.1
124.11235	1.1
128.10721	2.2
131.08580	0.7
131.44574	0.5
132.10204	1.8
133.10167	1.7
135.11719	0.9
137.13245	0.7
139.11179	0.8
142.08598	0.8
142.12282	10.6
144.10191	1.7
145.10063	0.9
147.11700	1.8
182.15504	0.6
186.14893	2.4
199.18050	33.2
200.16643	0.6
200.18501	1.8
226.14441	1.7
227.17537	18.7
228.17880	0.9
230.99657	0.6
244.15416	5.0
245.18600	6.4
302.09247	0.6
304.26404	0.8
310.27277	0.8
313.95294	0.6
322.27444	2.6
328.28452	2.1
340.24780	1.3
340.28455	6.8
341.28729	0.8
358.19571	2.1
358.25937	4.0
358.29517	100.0
359.25601	0.9
359.29868	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	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03424	3.9
63.72845	1.0
67.05501	5.5
69.07056	4.0
69.64405	4.2
71.04996	1.5
72.08154	6.5
79.05476	4.0
81.06631	1.1
81.07051	7.7
85.06539	1.4
91.05478	1.9
93.07041	2.1
95.08605	6.6
97.06541	2.8
98.09702	9.3
98.97578	1.7
99.08110	1.3
105.07018	2.7
107.08585	3.5
119.08592	1.6
121.10181	1.5
137.05936	1.8
142.12268	5.9
145.10104	1.0
262.13278	1.3
311.74457	1.1
334.90308	2.3
340.28473	6.1
350.22787	1.7
352.91165	1.5
358.29510	100.0
359.10245	2.1
359.23349	5.0
359.29724	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	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05522	1.7
56.05032	0.9
57.03178	0.5
57.03445	6.0
58.06611	0.3
67.05510	6.4
69.07073	4.6
70.06596	0.4
71.04990	0.8
72.04516	0.8
72.07780	0.5
72.08160	4.8
79.05503	3.3
81.07062	9.8
83.04979	0.7
83.08626	1.5
84.08155	0.7
85.06538	0.9
85.08952	0.3
86.09717	0.4
91.05497	1.3
93.07050	3.4
95.04967	0.4
95.08611	8.3
96.08154	0.3
97.06544	2.8
97.10177	0.6
98.09700	14.3
99.08105	1.8
102.09191	0.6
105.07034	1.0
106.56210	0.3
107.08604	2.3
109.06512	0.3
109.10171	1.6
109.10806	0.2
111.08100	0.7
113.09650	1.4
115.07565	0.4
117.07108	0.4
119.08592	1.2
121.10175	2.2
122.70017	0.3
123.08096	0.3
123.11734	0.8
124.11282	0.6
125.09631	0.8
131.08586	0.8
133.10155	0.7
135.11670	1.4
137.09599	0.3
142.12285	5.2
145.10059	0.3
147.11679	1.5
149.13274	0.3
156.13841	0.6
158.15431	0.4
159.11693	0.5
161.13229	0.5
165.12796	0.6
173.13242	0.4
183.13846	0.4
187.14839	0.7
219.76570	0.3
259.20639	0.4
277.21686	0.8
295.22794	0.5
322.27371	0.9
340.28485	8.8
341.28818	0.5
358.29526	100.0
359.29822	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	358.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35997	1.5
56.96572	10.4
69.18051	9.8
98.97580	74.4
100.93634	1.7
116.98619	35.9
117.90327	1.6
119.01936	4.0
134.99651	12.0
138.80476	1.6
155.04683	1.7
174.97691	13.0
174.99081	2.5
177.00938	4.8
178.00963	1.9
190.95482	2.8
192.98685	9.4
198.97755	4.5
214.95531	8.5
216.98706	50.6
217.98833	2.4
218.98499	2.5
219.02069	4.9
221.01805	3.2
232.96593	22.4
234.99767	63.6
235.99864	2.9
236.45164	1.7
237.97232	3.6
238.95416	8.3
250.97643	10.7
252.97476	2.5
253.00734	2.5
255.98254	6.0
256.96649	64.1
257.96658	2.9
258.99829	18.5
259.99988	2.6
260.99860	4.9
261.03113	13.3
261.97192	3.9
262.03168	4.3
263.02905	13.0
264.03165	3.7
268.94998	2.2
272.94556	2.7
274.94626	3.8
274.97708	59.1
275.97870	6.2
277.00815	21.3
279.00986	3.0
279.98181	19.7
280.96671	4.4
283.00238	1.7
284.99722	3.5
292.95117	3.9
292.98788	6.3
293.95871	2.0
297.99255	2.1
298.94308	4.0
298.97720	71.5
299.97705	9.7
301.01129	3.5
302.01303	2.3
303.00946	7.9
304.00958	2.3
316.95074	16.9
316.98743	94.7
317.98746	11.8
334.96191	12.2
334.99921	3.4
336.92300	9.5
340.98785	50.7
341.98993	5.8
354.93304	2.3
358.99878	100.0
359.03415	5.2
359.94037	3.3
360.00000	7.6
376.96912	2.9
377.00955	5.9
382.01404	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	359.149
Annotation	Prestegane B
Peak:m/z	Relative Intensity
55.01864	2.0
55.05460	0.6
65.03931	1.2
67.51358	0.5
67.66697	0.7
69.03435	0.6
69.41562	2.8
72.08147	0.7
77.03892	1.0
79.05501	3.1
81.07038	0.9
85.02923	0.9
86.09667	0.7
91.05477	21.6
92.05819	0.8
93.07045	2.1
94.04191	3.4
95.04975	2.5
102.04678	0.9
103.05464	10.1
105.03387	3.4
105.04521	1.2
105.07038	9.5
107.04961	3.8
109.06544	5.5
109.34167	0.6
115.05429	3.3
117.06980	2.1
118.04173	1.4
119.04945	25.2
119.08567	0.8
121.06535	5.5
122.03663	7.7
123.08055	2.6
126.13531	0.7
128.06194	1.1
129.07031	1.6
130.04114	0.8
131.04921	10.8
131.05922	1.1
132.05708	2.2
133.02901	1.1
133.06509	7.3
135.04424	2.0
136.05193	0.6
137.05977	100.0
138.06317	2.7
143.04945	1.5
143.06018	1.0
144.05693	1.7
145.06479	2.9
147.03296	1.1
147.04407	12.2
147.05450	1.2
147.08066	2.2
149.05977	11.0
150.06749	2.1
151.03915	1.6
151.07550	9.7
151.76955	0.7
156.05667	0.8
159.08047	4.6
160.05205	2.0
161.05975	25.9
162.06752	8.0
162.17245	0.6
163.07529	4.6
165.05453	0.7
165.07027	0.7
172.05164	1.4
173.05974	1.5
175.07533	21.8
176.07927	1.0
177.09117	0.8
179.07051	9.0
179.08482	0.9
187.07530	12.5
189.07004	0.7
189.09090	1.0
190.06244	2.3
190.07822	1.7
191.08606	2.8
193.08617	7.6
202.07788	1.0
203.08539	1.3
205.06639	1.3
205.08582	14.1
207.08060	1.1
217.08592	1.6
218.07298	0.7
219.07979	5.5
231.08115	3.4
235.07521	1.2
235.09723	1.7
236.08374	0.7
237.09036	0.8
247.07582	2.6
248.08383	1.6
251.10628	3.3
259.07535	2.2
260.08426	0.7
263.10706	1.2
277.08444	0.8
279.10107	6.3
280.10626	1.0
291.10150	3.7
296.10379	2.0
297.11362	1.3
299.12851	0.8
309.11163	5.1
311.12704	3.4
323.12695	1.1
329.13715	1.4
341.13928	1.3
359.29694	0.8
360.25345	1.8
383.80667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01875	1.0
55.05488	0.7
56.05024	0.8
57.03429	0.7
59.04973	1.0
60.05649	0.8
61.02922	1.8
67.05504	1.3
69.03432	4.0
69.07069	4.1
69.77000	1.3
70.02932	0.7
70.06590	7.5
71.04978	1.1
72.08147	2.4
73.02865	0.6
79.05480	1.7
81.03415	1.9
81.07059	1.5
84.08145	4.8
85.02911	17.0
86.09708	33.3
87.05579	1.9
91.03944	1.1
91.05489	4.2
91.15651	0.7
93.07049	6.5
95.04980	2.7
95.08622	1.0
96.08157	0.8
97.02900	3.8
98.23380	0.8
99.04459	1.2
105.07033	5.8
107.08603	17.7
109.02895	1.5
109.06517	1.5
109.10151	1.5
110.02415	1.1
113.10761	0.8
114.09394	0.6
116.07013	0.7
119.08581	2.5
121.06511	1.8
123.04482	0.8
127.03924	3.8
127.17527	0.7
128.10718	1.2
129.10220	2.0
132.10216	1.4
133.10135	16.4
134.10495	0.7
135.08080	1.0
135.11702	20.1
137.09595	2.0
141.10234	3.0
145.04979	2.4
151.11163	1.4
153.10210	0.9
155.11815	1.7
159.88455	0.8
161.09615	10.6
161.91260	0.6
166.08635	2.3
179.10677	34.4
180.10901	0.8
183.11288	2.2
187.10774	1.5
197.11736	100.0
198.10440	0.9
198.12041	4.7
200.09064	0.6
200.13963	6.5
201.10500	0.8
211.10750	1.8
212.09195	2.2
228.13454	7.4
229.11920	1.7
246.14433	3.4
296.19547	0.9
331.20609	0.6
345.12897	0.8
359.16895	1.7
359.23035	3.0
359.29410	1.3
360.27441	1.4
366.79660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
56.05025	0.8
57.03434	1.6
57.05833	0.7
61.02923	2.0
67.05493	1.4
69.03423	3.5
69.07058	2.4
69.14476	2.3
69.14899	2.1
70.06593	3.5
71.04999	0.7
72.08160	1.9
75.72843	0.6
79.05487	1.9
81.03420	1.4
81.07050	1.9
84.08145	5.0
85.02902	9.6
86.06078	0.7
86.09710	41.1
87.05608	1.0
88.03974	1.7
91.05481	2.6
93.07062	4.7
95.08604	1.8
96.08117	1.2
97.02898	1.8
98.02418	0.8
98.09702	1.0
105.07030	7.5
107.04945	1.4
107.08598	29.1
108.08914	0.9
109.02913	1.1
109.06525	1.7
109.10149	1.4
119.08578	4.3
121.06528	1.3
121.10155	5.6
123.08135	0.7
125.09631	0.7
127.03923	2.1
128.10712	2.0
129.10228	2.1
131.08533	1.1
132.10194	1.7
133.10143	16.7
135.11652	1.0
137.05962	0.8
137.09613	0.8
138.09149	1.2
139.07562	0.9
141.10234	2.1
142.12350	0.7
143.11801	6.7
144.10245	0.8
145.04927	1.6
149.09665	3.5
151.07594	0.9
151.11177	7.5
155.11801	1.7
156.10190	1.6
161.09615	5.3
166.08582	0.8
167.10664	13.1
171.11288	2.4
175.11888	1.2
179.09174	1.2
179.10683	15.9
180.10974	1.0
183.11282	1.9
189.12323	3.9
197.11734	100.0
198.12077	4.5
200.13968	7.0
201.12381	7.9
228.13449	2.1
229.11833	1.6
245.18625	0.8
359.16803	2.8
359.23151	1.3
359.26236	3.2
359.30051	1.1
360.16751	1.0
360.21115	1.0
360.27380	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37674	0.5
50.46187	0.5
54.91642	0.5
55.05510	4.7
55.26707	0.6
56.05028	2.9
58.06586	0.6
60.05648	1.1
61.01147	0.9
63.47964	0.5
65.65302	0.5
66.66931	0.5
69.03423	0.9
69.07066	2.8
70.06595	17.1
70.50732	0.5
71.06931	1.2
71.43436	0.6
72.08159	62.9
73.08495	0.8
76.62748	0.5
80.39146	0.5
81.07064	1.0
83.06108	36.4
84.04507	36.2
84.08147	9.3
85.02902	2.4
85.04883	0.6
86.09710	100.0
87.04462	0.6
87.10037	1.8
94.06582	0.5
96.04514	1.3
96.08144	1.5
97.02921	0.8
97.06564	0.6
97.07693	0.6
98.09730	0.7
99.08118	1.0
101.07145	7.9
102.05533	2.3
107.04987	0.7
107.08663	0.6
110.07174	0.5
110.09678	1.8
112.03963	0.6
112.08707	0.6
113.07157	1.4
114.09173	3.1
116.07094	2.5
118.06904	3.4
118.08662	23.8
124.11224	0.7
127.03939	1.4
128.10701	4.8
129.06610	7.2
129.10266	5.7
129.11089	0.9
130.08679	0.8
131.04955	1.7
131.74223	0.5
132.10207	29.7
135.04407	0.8
137.05984	0.6
138.09138	12.7
140.08177	0.6
141.06609	2.7
143.11790	1.7
145.04971	1.1
147.11298	0.7
152.10666	2.5
155.11794	4.2
157.09668	1.1
157.13382	3.9
158.09352	0.6
163.03923	3.5
163.07593	1.7
169.13388	1.3
170.11824	1.4
171.11311	1.1
175.10683	5.0
175.11777	1.1
175.12140	1.0
178.94760	0.6
180.86111	0.5
181.04976	2.2
182.12895	26.7
183.11292	25.9
183.13034	1.2
185.12869	3.7
185.16550	1.3
189.12349	1.2
196.14458	12.6
197.07829	0.7
197.12874	12.2
197.14668	0.4
199.18042	10.7
199.20889	0.6
200.13945	10.1
201.12239	1.3
210.12392	9.2
211.10757	3.9
213.15955	0.6
214.15489	6.3
215.13931	2.8
217.13805	0.7
222.57260	0.5
224.13977	5.4
225.12332	3.6
227.17499	6.4
228.13463	7.4
229.11824	1.1
231.17061	2.6
239.17709	0.7
242.15019	5.0
243.13394	1.5
247.12990	2.0
271.17886	0.6
284.19830	1.1
296.19724	0.9
327.10413	0.8
341.21820	28.7
342.22324	2.0
359.12747	2.5
359.16800	22.4
359.22946	6.4
359.26941	2.3
360.17029	1.3
360.24182	3.4
360.27576	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46878	0.4
50.79989	0.3
54.41170	0.3
55.05507	0.5
55.88361	0.3
56.05036	1.1
58.06627	0.5
58.06963	0.3
60.04518	0.4
60.05655	0.5
60.29647	0.3
67.05507	0.9
67.77176	0.4
68.05033	0.5
69.03432	0.7
69.07070	11.0
70.02950	1.8
70.06596	7.2
70.07405	0.4
71.04989	0.5
72.08157	2.2
73.02918	0.5
73.04029	0.8
74.02425	0.8
79.05492	0.4
81.07065	0.9
84.04507	0.4
84.08149	5.8
85.02899	1.8
85.04022	2.9
86.09708	100.0
87.05598	8.2
87.10037	1.6
88.03983	2.0
91.05482	0.8
93.07030	1.0
95.04995	0.5
95.08582	0.6
96.08131	6.9
97.02932	0.7
97.06538	0.6
98.01801	0.6
98.02420	6.8
98.09705	0.5
104.05326	0.4
105.07031	0.7
107.08592	1.0
108.08157	0.5
110.02395	2.5
110.09677	2.8
112.07638	0.5
112.08772	0.8
112.11236	0.6
113.10763	2.9
114.09128	0.4
115.05068	1.1
115.08738	1.6
116.07067	0.5
119.08602	0.5
121.02874	0.9
121.10145	0.4
122.09668	0.6
124.03968	0.7
124.07587	0.8
128.10762	0.8
129.10246	3.3
130.05064	0.4
130.08659	1.4
132.10220	5.9
133.02859	1.2
133.10155	0.5
135.04456	0.8
137.06021	0.5
138.09134	4.6
141.10229	17.2
142.08629	0.6
143.08203	1.5
143.11789	0.4
144.10185	1.0
146.11726	1.6
149.02341	27.7
155.11792	22.3
156.12131	0.8
157.13361	0.4
158.11798	0.7
163.03908	17.9
163.07581	0.5
166.08653	2.9
171.11325	1.4
175.11948	1.0
179.10603	0.6
181.04971	10.5
181.06578	0.6
182.12909	0.6
182.15413	0.4
183.11301	12.7
184.11610	0.6
187.10852	0.8
197.11751	1.0
200.13945	70.9
201.14310	2.7
211.10838	1.1
212.09143	1.1
214.11763	0.7
217.15494	1.4
228.13441	23.9
229.11781	0.7
229.13724	0.9
245.16092	0.4
245.18501	1.7
246.14352	1.9
255.17001	1.2
256.56555	0.4
279.17194	0.4
283.16586	0.7
296.19583	0.6
300.19281	0.4
316.21033	0.4
324.25385	0.3
325.17624	2.8
342.20279	1.4
359.09140	1.8
359.23611	2.7
359.26852	1.2
360.20514	0.5
360.24008	0.6
360.27664	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	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30538	0.4
53.94580	0.4
55.05512	0.7
55.54150	0.4
56.05043	1.0
58.06588	0.5
60.05635	0.4
65.03946	0.5
67.05498	1.0
69.03415	0.6
69.07069	11.8
69.76329	1.4
70.02965	2.6
70.06229	0.8
70.06589	7.6
70.16140	0.4
72.08146	2.6
73.04027	0.7
74.02422	0.5
79.05499	0.8
81.07071	0.6
84.08147	6.3
85.02911	1.2
85.04030	3.2
86.09708	100.0
87.05592	7.6
87.10039	1.5
88.04003	2.5
91.05486	0.9
93.07031	1.0
95.04976	0.5
95.08625	0.4
96.08126	5.2
97.02880	0.6
98.02418	7.4
98.09660	0.8
98.23338	0.6
104.07905	0.4
105.07024	0.5
107.08624	0.7
110.02414	2.6
110.09700	3.2
112.07640	0.9
112.11293	0.7
113.10767	2.8
114.09135	0.5
115.05041	1.3
115.08683	1.2
116.07102	0.7
119.08613	0.7
123.04421	0.4
124.03934	1.0
126.09154	0.5
128.10735	1.1
129.10258	3.2
130.08614	1.1
132.10211	4.7
133.02820	0.8
133.10149	0.7
135.04459	0.4
138.09154	4.6
141.10226	16.8
142.08614	0.5
143.08144	1.2
143.11832	0.6
144.10178	1.4
146.11786	2.1
149.02347	27.2
155.11789	19.3
157.13336	1.1
158.11787	0.4
163.03909	16.5
163.07581	0.6
166.08617	2.9
169.09668	0.7
171.11301	1.3
175.11911	0.7
181.03473	0.8
181.04956	9.4
182.12889	0.5
182.15442	0.8
183.11305	13.3
183.14842	0.6
187.10796	0.9
189.12376	0.8
197.11732	1.1
200.13945	78.6
201.14249	1.9
211.10757	1.0
212.09090	1.2
214.11903	0.9
217.15454	1.3
228.13438	26.0
229.11758	0.8
229.13713	1.0
245.15916	0.5
245.18616	1.8
246.14563	1.6
255.16995	1.8
279.16940	0.6
283.16357	0.9
296.19650	0.8
306.91641	0.4
325.17520	3.1
341.21579	0.9
341.25223	0.6
342.20013	2.0
342.26349	0.9
359.09021	2.0
359.23737	2.8
359.29962	0.5
360.21329	1.0
360.27539	2.9
382.05988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2292
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
55.05503	0.4
56.05028	0.7
58.06610	0.4
64.67193	0.4
67.05502	0.6
69.07072	5.4
69.17715	1.3
69.18124	1.1
70.02956	2.5
70.06603	3.1
72.04528	0.9
72.08157	1.5
73.04016	0.4
74.02436	0.5
75.05620	0.8
81.07066	0.8
84.08145	3.7
85.02895	0.4
85.04021	1.8
86.09708	100.0
87.05595	7.1
87.10033	1.9
88.03984	3.3
91.05473	0.7
93.07043	0.9
95.08627	0.5
96.04488	1.2
96.08122	4.0
97.02887	0.4
98.02414	6.6
98.09678	0.5
99.05580	1.8
107.08543	0.5
107.31403	0.4
110.02418	3.8
110.09672	1.4
112.11239	1.5
113.10766	4.6
114.09119	0.6
115.05045	1.2
126.09161	0.8
127.03884	0.5
128.10721	1.0
129.10254	1.3
132.10193	6.6
138.09146	7.3
140.10753	0.4
141.10223	14.6
142.12236	0.4
143.11794	8.1
144.10204	0.8
155.11789	17.2
157.13383	0.5
166.08636	3.0
171.11295	4.7
179.10530	0.4
183.11299	14.8
184.11609	0.6
187.86572	0.4
189.12349	4.7
197.11632	0.6
199.90829	0.4
200.13943	66.3
201.12321	2.5
201.14275	2.5
211.10851	0.6
228.13438	25.0
229.11794	2.1
229.13681	0.9
245.18571	3.9
247.12877	1.1
255.16968	1.3
279.17026	0.9
283.16379	1.7
296.19586	1.0
300.19138	1.1
303.41077	0.4
325.17529	3.4
341.21802	2.4
342.19934	1.9
342.26208	0.9
350.67651	0.4
359.16660	0.6
359.26801	3.5
360.23795	0.5
360.27481	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	359.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22153	0.4
54.75779	0.5
55.01875	1.2
55.05503	1.0
56.05043	0.9
56.96568	1.5
57.03455	0.5
58.06602	0.6
60.04520	0.7
60.05649	9.2
60.08160	0.6
65.99467	0.5
68.05008	0.9
69.03446	2.6
69.03754	0.5
69.07067	0.9
70.06593	73.0
70.29820	1.1
70.64913	0.5
71.04994	6.0
71.06931	1.0
72.08157	11.3
74.06075	1.5
81.03425	0.6
84.04501	1.9
84.07667	0.9
84.08143	11.6
85.02905	8.0
85.07665	0.9
85.08474	0.8
86.09708	36.1
87.05561	0.8
87.10049	0.7
88.07638	3.0
89.07171	0.6
95.06090	1.6
96.53857	0.5
97.02864	2.7
97.07661	1.6
98.02395	0.7
98.06067	1.8
98.97556	3.5
99.04449	0.8
109.02849	0.6
111.00780	0.8
111.04446	0.5
112.08724	19.1
113.07153	1.1
114.06675	0.9
114.10316	0.7
115.08685	5.5
116.07095	5.8
116.98619	1.4
117.03360	0.7
119.01855	0.6
120.08121	0.5
127.03929	4.8
129.01814	0.6
129.10234	3.7
130.08644	3.9
130.09758	1.8
135.04405	2.2
136.06140	0.5
138.12772	0.7
140.08154	3.4
141.10199	1.7
143.01810	0.5
143.11815	2.9
144.10196	0.9
145.02844	1.1
145.04973	4.2
147.07698	0.6
147.11281	4.8
155.11766	0.9
156.11340	1.2
157.09743	0.8
157.10873	4.1
157.13364	5.0
158.09241	3.7
158.99849	0.6
163.03900	13.7
163.06039	1.6
165.13785	0.7
168.13744	0.7
169.09686	0.6
171.11182	0.7
172.10828	1.6
174.97578	1.1
175.11905	11.9
177.00906	1.5
181.04977	7.6
182.16527	1.4
183.12531	0.8
183.14920	4.7
185.12854	1.1
185.16489	2.7
187.54750	0.5
191.02483	0.7
200.13940	1.6
201.00899	1.2
203.02499	1.4
203.13950	1.4
208.14427	0.7
210.15891	1.6
211.11902	2.0
211.14297	1.1
213.15962	0.8
215.02513	0.6
216.98676	1.7
217.11917	0.8
219.02016	2.2
225.17102	10.5
228.13330	0.6
229.12794	0.5
232.96500	0.8
233.03546	4.0
234.99748	1.5
242.19699	1.4
243.02040	0.5
244.12828	0.7
245.01703	0.8
246.15640	5.4
246.17984	1.1
258.99771	0.8
270.19183	2.3
271.17648	3.6
274.99081	0.9
286.99371	0.8
288.20148	3.8
298.97763	1.6
299.00937	1.9
300.18967	1.0
303.00739	0.6
307.57471	0.6
316.94995	1.1
316.98453	2.7
317.02042	2.4
317.98996	0.9
324.20157	1.1
335.01312	0.9
340.98596	1.5
342.21384	5.4
358.99768	2.3
359.03122	1.8
359.23868	100.0
359.63116	0.7
360.24255	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	359.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22153	0.4
54.75779	0.5
55.01875	1.2
55.05503	1.0
56.05043	0.9
56.96568	1.5
57.03455	0.5
58.06602	0.6
60.04520	0.7
60.05649	9.2
60.08160	0.6
65.99467	0.5
68.05008	0.9
69.03446	2.6
69.03754	0.5
69.07067	0.9
70.06593	73.0
70.29820	1.1
70.64913	0.5
71.04994	6.0
71.06931	1.0
72.08157	11.3
74.06075	1.5
81.03425	0.6
84.04501	1.9
84.07667	0.9
84.08143	11.6
85.02905	8.0
85.07665	0.9
85.08474	0.8
86.09708	36.1
87.05561	0.8
87.10049	0.7
88.07638	3.0
89.07171	0.6
95.06090	1.6
96.53857	0.5
97.02864	2.7
97.07661	1.6
98.02395	0.7
98.06067	1.8
98.97556	3.5
99.04449	0.8
109.02849	0.6
111.00780	0.8
111.04446	0.5
112.08724	19.1
113.07153	1.1
114.06675	0.9
114.10316	0.7
115.08685	5.5
116.07095	5.8
116.98619	1.4
117.03360	0.7
119.01855	0.6
120.08121	0.5
127.03929	4.8
129.01814	0.6
129.10234	3.7
130.08644	3.9
130.09758	1.8
135.04405	2.2
136.06140	0.5
138.12772	0.7
140.08154	3.4
141.10199	1.7
143.01810	0.5
143.11815	2.9
144.10196	0.9
145.02844	1.1
145.04973	4.2
147.07698	0.6
147.11281	4.8
155.11766	0.9
156.11340	1.2
157.09743	0.8
157.10873	4.1
157.13364	5.0
158.09241	3.7
158.99849	0.6
163.03900	13.7
163.06039	1.6
165.13785	0.7
168.13744	0.7
169.09686	0.6
171.11182	0.7
172.10828	1.6
174.97578	1.1
175.11905	11.9
177.00906	1.5
181.04977	7.6
182.16527	1.4
183.12531	0.8
183.14920	4.7
185.12854	1.1
185.16489	2.7
187.54750	0.5
191.02483	0.7
200.13940	1.6
201.00899	1.2
203.02499	1.4
203.13950	1.4
208.14427	0.7
210.15891	1.6
211.11902	2.0
211.14297	1.1
213.15962	0.8
215.02513	0.6
216.98676	1.7
217.11917	0.8
219.02016	2.2
225.17102	10.5
228.13330	0.6
229.12794	0.5
232.96500	0.8
233.03546	4.0
234.99748	1.5
242.19699	1.4
243.02040	0.5
244.12828	0.7
245.01703	0.8
246.15640	5.4
246.17984	1.1
258.99771	0.8
270.19183	2.3
271.17648	3.6
274.99081	0.9
286.99371	0.8
288.20148	3.8
298.97763	1.6
299.00937	1.9
300.18967	1.0
303.00739	0.6
307.57471	0.6
316.94995	1.1
316.98453	2.7
317.02042	2.4
317.98996	0.9
324.20157	1.1
335.01312	0.9
340.98596	1.5
342.21384	5.4
358.99768	2.3
359.03122	1.8
359.23868	100.0
359.63116	0.7
360.24255	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	359.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.05519	3.3
56.05039	2.6
57.03424	0.9
60.04511	0.4
60.05626	1.4
61.02911	0.4
67.05495	0.6
69.03431	2.0
69.07056	0.4
70.06596	12.0
71.42851	0.4
72.08158	31.7
73.02870	0.4
75.71787	0.4
81.03453	0.5
82.06569	0.6
83.06079	0.6
83.25945	0.3
84.04513	1.8
84.08146	100.0
85.02916	6.1
85.06527	1.2
85.08472	1.6
86.09709	23.6
89.03914	0.5
95.06106	0.5
96.08167	0.5
97.02903	2.0
98.97583	0.4
99.04451	0.4
99.77304	0.4
100.07578	0.3
101.10782	5.0
102.09154	0.6
107.04958	0.7
109.02885	0.6
110.07155	0.5
111.09233	0.8
112.07617	1.1
112.08760	1.8
112.09459	0.3
112.11269	0.4
115.08757	0.6
116.07116	1.9
117.03383	0.6
120.08112	0.5
127.03928	4.1
127.08709	0.9
129.10248	73.0
129.29568	0.4
130.04997	0.9
130.08673	1.6
130.10628	1.5
131.11856	0.4
132.10287	0.5
135.04428	2.7
138.12767	2.9
139.03947	0.4
143.11818	4.0
145.02902	1.6
145.04962	2.9
147.11359	1.4
148.06116	1.4
150.12854	1.3
150.52943	0.4
151.13199	0.8
156.11401	0.7
157.10933	0.4
157.13458	1.7
158.09334	0.8
158.58696	0.4
161.09384	0.6
163.03905	13.7
163.06102	1.0
165.13979	0.5
171.11397	1.3
172.10892	0.4
175.11908	2.7
179.03424	0.7
181.04948	6.0
182.13100	0.5
183.14915	6.7
185.16501	6.2
189.12297	2.3
197.08063	0.5
197.16692	0.7
200.17815	1.1
210.16037	2.5
211.14439	1.8
213.15977	3.6
226.16809	0.4
228.17061	7.9
231.17068	2.4
242.18948	0.6
246.15976	0.9
246.18456	1.6
261.14536	1.8
266.96506	0.4
270.18369	0.4
323.24707	0.4
341.25766	0.5
342.24472	1.2
359.13559	5.9
359.17935	0.8
359.27203	23.7
360.27499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01876	3.5
55.05513	24.7
57.03447	5.8
57.07074	7.7
59.05003	2.3
64.30492	1.1
65.03939	2.4
67.05507	32.9
69.03435	2.4
69.07068	43.5
69.32179	2.6
69.32572	4.9
70.06583	1.9
71.05016	6.0
71.08618	1.3
72.08153	9.3
73.06563	1.5
79.05498	17.2
81.07059	100.0
82.07397	3.7
83.04977	1.6
83.08630	10.6
84.08138	2.9
85.02900	1.3
85.06550	11.4
86.09713	8.3
87.10069	2.2
88.39828	1.0
89.74120	1.2
89.79465	1.1
91.05478	8.7
93.07045	35.5
93.07600	2.3
94.07372	1.2
95.04984	2.9
95.08608	73.1
96.08929	2.1
97.06542	9.9
97.10168	21.5
97.10740	1.7
98.09711	6.1
99.08121	6.5
99.10040	2.0
105.07032	12.7
107.08596	38.8
108.08907	1.3
109.06497	3.5
109.10166	27.8
111.08092	19.2
111.11715	10.0
113.05972	2.1
119.08557	7.9
121.10144	24.7
123.08116	1.4
123.11707	65.6
124.12068	2.0
125.09627	2.6
128.10733	5.8
131.08624	1.2
133.10139	6.0
135.11694	14.2
137.09608	2.3
137.13268	19.0
139.11172	15.0
141.12741	3.5
145.10101	1.3
146.11804	1.6
147.11671	7.1
149.13260	42.4
149.14449	2.5
150.13637	1.5
151.11211	3.5
151.14821	1.3
153.12773	6.4
155.14313	4.7
156.13832	5.1
157.12222	11.6
157.14180	2.8
159.11714	3.7
161.13278	5.3
163.14832	9.9
165.12798	2.8
167.14355	3.5
169.12251	9.5
171.13806	3.2
175.14851	2.2
177.12802	1.8
177.16438	1.8
183.13817	1.9
186.16873	3.5
187.13313	15.7
187.14853	1.8
189.16396	3.2
195.13818	2.4
201.16316	1.3
203.12807	4.2
203.17941	3.1
209.15446	2.3
213.16304	2.4
214.16342	1.5
217.19676	1.1
223.17030	2.6
235.16974	2.4
235.20543	1.9
237.18509	2.7
249.18472	3.1
253.18112	1.2
259.24353	2.5
275.23737	1.7
277.25342	3.4
280.26389	1.1
287.23813	4.7
293.24734	11.4
305.24734	41.4
306.25128	4.7
311.25665	1.4
323.25766	15.9
324.26126	2.1
341.28821	5.1
342.30112	4.8
359.23889	1.9
359.25217	1.8
359.29886	16.0
360.27084	6.1
360.31238	20.6
378.30185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.01884	0.5
55.05508	0.5
56.05038	0.9
57.03427	0.5
61.02925	0.4
62.30160	0.4
65.03941	0.9
67.05511	0.7
69.03432	1.0
69.07074	3.2
70.02950	0.7
70.06596	10.5
70.07715	0.8
70.08082	0.8
71.04989	0.6
72.08160	1.9
79.05489	0.9
81.03442	0.5
81.07063	1.3
84.08147	3.7
85.02905	3.9
85.04037	0.8
86.09708	29.5
87.05592	1.3
87.10017	2.4
88.03996	0.7
91.05459	0.7
93.07062	0.9
94.06571	0.4
95.04966	1.1
95.08617	1.0
96.08148	1.9
97.02904	1.2
98.02412	0.6
98.09724	0.9
99.52731	0.4
102.05494	0.4
104.05296	0.8
105.03432	0.5
109.06565	0.5
110.02415	0.6
110.09679	0.9
112.07639	0.5
113.10809	0.4
114.09174	1.2
119.08568	0.5
119.18064	0.3
121.02888	2.0
121.10155	0.5
124.07668	0.5
126.09151	1.2
127.03935	1.3
128.10727	1.5
129.10213	1.0
130.08661	0.9
132.10207	2.4
133.02811	2.3
134.08150	0.5
135.04393	1.8
135.11662	0.7
138.09142	1.0
140.10716	0.7
141.10216	2.7
142.08604	0.7
142.10574	0.7
144.10202	4.5
145.04977	0.9
145.10124	0.9
149.02344	100.0
150.02711	2.8
155.11790	2.9
156.12149	0.7
158.11761	0.6
162.07753	0.4
163.03908	70.5
163.11147	0.6
164.04234	1.8
166.08647	0.9
180.08633	0.9
181.04964	36.2
182.05383	0.8
183.11298	2.1
184.11765	0.5
200.13942	10.7
201.10692	0.4
201.12340	1.7
201.14243	3.9
215.03464	0.6
228.13422	2.9
229.11790	2.0
229.13762	1.0
229.15623	0.6
243.02773	0.6
245.18262	0.5
247.12878	1.3
271.41632	0.4
305.07718	0.4
324.25122	0.7
333.07388	0.6
342.26297	1.9
360.16312	0.9
360.20782	2.2
360.27432	8.7
361.07080	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15611	0.4
57.03428	0.6
57.19305	0.4
61.02918	1.0
63.96269	0.4
69.03420	0.9
70.40730	1.0
72.08142	0.8
79.05505	0.5
81.03398	0.6
83.44582	0.4
85.02900	4.9
86.09686	1.3
89.03921	3.6
89.66222	0.4
97.02886	1.8
107.04948	2.3
117.03373	6.4
127.03899	0.9
128.10638	0.4
131.04993	0.5
131.15771	0.4
131.21617	0.5
135.04419	13.1
140.63559	0.4
145.02853	11.9
145.04883	0.8
163.03900	100.0
164.04221	3.1
165.15622	0.5
180.08711	1.7
181.04956	46.5
182.05252	2.1
198.07603	0.8
208.40097	0.4
231.07851	0.4
245.58336	0.4
252.75804	0.4
263.44040	0.5
309.83762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01839	1.1
55.05473	0.9
56.04998	1.0
57.03435	1.7
58.06599	1.2
58.33062	0.2
61.01107	0.8
65.03911	0.2
67.05502	2.1
68.99778	1.1
69.03430	1.1
69.07024	1.0
70.06591	26.1
71.01321	0.3
71.04940	0.5
71.06882	0.4
71.07282	0.2
71.08617	0.3
72.08154	5.6
72.87457	0.2
73.08478	0.3
74.00638	0.8
76.67002	0.2
79.05491	2.0
79.73083	0.2
81.03381	0.6
81.07057	3.6
82.06548	0.4
82.76371	0.2
83.01342	0.5
84.04515	1.2
84.08146	6.2
85.02866	1.0
86.09705	7.7
87.10027	1.2
88.07606	0.3
91.05461	2.5
93.07040	1.6
94.06577	0.2
95.04970	2.1
95.08601	1.9
96.08099	0.6
97.02870	0.5
97.06488	1.1
97.07043	0.2
98.06008	0.9
98.09634	0.7
98.91733	0.3
102.03741	0.7
102.05495	0.7
103.05402	0.4
104.05347	1.2
104.40858	0.3
105.03384	0.4
105.07028	1.7
107.04930	1.2
107.08585	1.7
109.02855	0.3
109.06482	0.6
110.09696	1.6
114.09178	0.4
115.05428	0.7
116.07097	2.4
117.07018	2.9
118.08648	0.3
119.04937	2.2
119.08549	1.0
120.08054	0.9
121.06497	3.3
121.10110	1.1
123.04429	19.3
123.08016	0.5
124.04740	0.5
124.07580	2.6
125.02322	0.3
126.05479	0.5
127.03865	0.5
128.06163	0.3
128.10713	10.1
129.07004	0.5
129.10197	0.6
130.08664	0.3
131.04897	0.3
132.08083	0.2
132.10170	0.7
133.03130	0.3
133.10146	0.7
135.04431	1.7
135.08055	2.9
136.07549	2.2
137.05971	1.3
138.09203	0.2
139.03867	0.5
139.11182	0.6
143.11763	0.8
144.10098	0.6
145.02818	0.3
145.04955	0.6
145.06494	2.5
145.10129	0.3
146.71324	0.3
147.04408	8.0
147.08078	0.3
148.04893	0.5
149.05980	3.0
150.05812	1.0
151.03894	1.4
157.06473	0.7
159.09453	0.3
161.05971	1.6
162.09126	0.5
163.03946	1.9
163.07535	13.0
164.07904	0.6
165.05489	3.6
166.05771	0.3
167.07001	0.7
171.11340	0.5
172.11501	1.1
173.05983	6.7
175.07538	0.8
176.04605	0.3
177.05421	0.5
179.05522	0.5
179.07010	4.8
180.06477	0.5
181.04861	0.2
183.11298	0.5
183.14886	0.9
185.05922	1.0
187.07492	0.6
187.09004	1.3
188.07097	0.7
189.05388	0.3
189.12352	0.5
190.08623	11.5
190.12560	0.3
191.07025	58.5
192.07359	2.3
197.12836	0.3
198.07610	0.5
199.13269	0.7
201.12317	0.9
202.08472	0.3
203.07031	2.4
207.06549	0.4
208.09679	100.0
209.10033	4.2
211.14452	0.7
213.12242	0.3
215.06812	0.4
215.12056	0.6
215.13879	0.3
217.13605	1.7
220.09663	1.5
221.08037	0.4
229.11736	1.1
243.13507	0.5
245.13039	0.9
246.14630	0.2
247.11098	3.6
263.13913	2.8
299.09161	0.4
324.25388	1.0
325.10690	4.5
333.07870	0.2
342.13376	3.6
342.22372	0.7
342.26382	8.4
343.11667	1.8
360.14478	31.9
360.19357	4.8
360.23575	0.8
360.27405	11.7
361.07104	0.3
361.14706	2.3
361.18933	0.4
361.27573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31906	1.5
54.44450	1.5
55.01868	8.1
57.03437	10.3
61.02920	3.5
63.50864	1.7
69.03429	29.1
70.36698	4.4
71.04989	2.7
72.08143	3.5
73.02922	4.6
81.03410	4.1
84.08145	4.9
85.02902	100.0
97.02895	35.7
99.04451	8.2
101.02371	6.5
109.02872	5.9
115.03971	4.4
127.03913	79.7
128.04234	2.1
129.10263	2.3
130.08635	3.0
145.04959	69.8
145.06091	3.9
146.05292	2.9
147.11308	3.3
163.03926	3.3
163.05992	18.1
174.39311	1.6
180.08675	4.2
181.05116	3.3
305.24454	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46952	0.5
55.01871	0.6
57.03434	1.0
60.40054	0.6
63.92729	0.5
69.03425	2.4
70.85518	0.9
79.59695	0.5
85.02904	7.7
86.09697	1.8
95.64417	0.6
97.02896	2.1
98.23492	0.6
103.05465	31.0
127.03932	2.0
128.10735	2.3
131.04926	100.0
132.05264	2.7
145.04997	3.3
163.07539	38.7
164.07927	1.9
180.08659	0.6
214.04991	0.6
222.69542	0.6
313.50940	0.6
359.25021	0.8
360.27393	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74480	0.6
69.03407	1.3
69.64315	1.3
69.64698	0.9
81.03403	0.8
85.02902	4.7
97.02858	1.3
103.05463	29.1
104.05793	0.7
127.03962	1.5
131.04921	100.0
132.05240	2.6
132.25656	0.5
145.04953	1.5
163.07532	39.2
164.07893	1.5
179.66661	0.5
180.08685	0.8
180.61636	0.6
185.93680	0.5
235.75078	0.5
350.40936	0.5
360.27396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
57.03426	0.7
58.06588	0.5
69.03444	2.7
71.20470	0.6
80.57286	0.5
81.03411	0.8
83.97776	0.6
85.02904	7.9
86.09701	2.2
95.04903	0.6
97.02900	2.5
99.04388	0.7
103.05469	31.0
127.03897	4.1
128.10721	1.6
131.04924	100.0
132.05260	3.7
137.05948	0.6
141.54285	0.6
145.04947	3.2
163.07542	35.3
164.07880	1.7
165.05457	0.9
180.08705	0.8
181.08636	0.6
199.17989	0.8
221.11780	0.7
342.26166	1.2
360.23776	0.9
360.27563	4.3
363.16306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.2
57.03429	2.9
57.14469	1.5
58.06597	2.5
61.02927	3.0
67.05524	1.6
69.03423	6.8
69.64438	4.1
72.77323	1.4
73.13773	1.3
79.05492	1.9
81.03407	2.0
81.07058	3.1
81.52638	1.4
82.70315	1.3
85.02905	25.9
91.04002	1.8
91.05534	2.2
93.07041	4.8
95.08590	2.1
96.08117	1.9
97.02884	7.3
98.09704	2.0
98.98468	2.4
99.04467	2.4
100.11258	2.0
103.05452	6.1
107.04966	3.3
109.02888	1.8
120.96662	1.7
121.06498	15.9
125.02329	1.6
127.03893	11.4
131.04950	3.0
135.08035	2.0
140.04684	23.2
145.04973	10.9
149.06000	15.6
153.05461	10.3
163.07523	3.1
180.08714	1.6
181.08594	100.0
182.08954	4.7
210.17999	1.5
338.18100	1.6
360.25140	15.9
360.31024	13.7
364.53339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2127
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
54.98125	2.6
55.01855	2.8
73.02921	4.7
75.72398	3.0
85.02907	14.2
86.09705	77.5
88.03986	12.2
91.03929	2.8
97.02881	4.8
99.04485	3.5
100.03990	4.9
101.65897	3.1
127.03908	12.0
132.10231	3.3
137.05983	3.1
138.09116	7.2
141.10233	8.8
145.04947	9.3
156.10199	13.6
163.06158	3.1
183.11313	8.0
184.09810	3.2
201.12334	100.0
229.11827	28.5
236.38673	2.8
360.25854	7.8
360.31073	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	360.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92535	0.3
55.01892	0.3
55.05503	1.5
56.05028	2.8
57.03434	2.4
58.06600	1.6
60.95651	0.3
65.03933	0.4
67.05517	2.9
67.50030	0.3
69.03414	0.7
69.07072	7.4
69.53488	0.9
69.66726	0.3
70.01665	0.3
70.06594	2.6
71.04990	0.7
72.04526	0.3
72.07783	0.6
72.08157	7.0
72.08527	0.6
73.08511	0.7
74.06081	9.7
79.05487	3.2
81.07054	3.2
82.06617	0.4
83.04996	0.6
83.08624	0.5
84.08149	2.9
85.02920	2.1
85.06564	0.4
86.09709	100.0
87.10036	2.7
91.05470	1.5
93.07056	2.7
95.04971	0.9
95.08606	2.6
96.08129	1.1
97.06531	1.1
98.06065	0.9
98.09698	4.2
98.97578	0.3
99.05575	0.5
99.08114	0.6
104.07105	3.4
105.07037	2.1
107.08583	2.1
108.08159	0.3
108.08952	0.3
109.06534	0.8
109.10165	1.3
110.09717	0.5
111.08140	0.4
112.07642	0.3
113.09602	0.3
114.09190	0.8
116.07110	1.1
117.07057	0.5
119.08604	1.0
120.08103	0.9
121.10146	1.8
123.08131	0.5
125.09553	0.4
126.05511	4.3
126.09184	0.6
127.03941	0.5
127.08688	0.4
128.10713	2.9
129.07016	0.3
129.10245	0.7
130.08672	0.4
131.08586	0.9
133.10152	0.8
135.08110	0.4
135.11697	0.7
137.09633	0.4
139.11205	0.4
141.10231	1.3
142.08742	0.3
142.12267	2.0
144.06575	0.9
144.10158	1.6
145.04980	1.0
145.10086	2.0
147.11723	0.9
149.09633	0.4
156.10239	0.7
163.07542	0.4
163.11176	2.5
173.11855	0.5
183.11571	0.3
183.14854	0.4
186.12418	0.8
187.12761	1.1
195.11356	1.5
197.11731	0.4
198.12022	0.3
201.12357	5.4
201.14273	0.6
210.37935	0.3
211.10759	0.4
211.14494	1.3
217.15491	8.3
218.15785	0.7
227.97517	0.3
229.11890	1.5
239.13913	10.1
240.14444	0.4
257.15036	1.2
282.24396	0.5
296.25784	0.4
298.17725	0.6
298.27386	0.4
300.25687	0.4
319.10800	0.6
324.25485	0.7
324.28973	0.6
342.22800	0.7
342.26483	3.3
342.30127	1.4
360.22357	2.0
360.27420	23.5
360.31189	19.7
361.07083	1.5
361.12769	0.6
361.27777	1.8
361.31573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2534
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
51.19902	0.4
53.03945	1.0
55.01894	0.5
55.05492	1.4
56.05023	1.0
57.03428	1.4
58.02946	0.8
58.06601	6.2
67.05496	2.9
69.07072	1.8
69.64182	1.6
70.06583	1.9
71.08642	0.4
72.08154	6.8
77.03927	1.0
79.05502	3.1
81.03428	2.1
81.07050	2.9
82.06588	0.7
83.04979	0.8
84.08141	25.6
85.08491	0.4
88.07627	1.1
91.05480	17.7
93.07045	5.7
95.04977	2.7
95.08627	2.5
96.08141	0.6
97.06548	2.9
97.93115	0.4
98.06003	0.6
98.09700	1.0
99.08092	0.6
105.03392	44.4
105.04525	1.2
105.07008	2.2
106.03743	1.1
107.04976	0.9
108.08134	1.1
109.06521	0.6
109.10172	0.4
110.09684	9.9
111.08086	1.2
114.09151	1.2
114.58289	0.4
115.05466	0.6
117.07001	2.5
119.08578	0.5
119.95335	0.4
121.06502	1.1
126.12800	0.7
128.10716	21.4
129.06999	8.2
130.07358	0.5
131.08557	1.5
133.06493	1.3
133.10129	0.9
139.07549	0.9
143.08566	1.9
144.10202	1.6
157.10089	1.0
171.11678	10.3
181.10098	0.6
189.12787	0.6
199.11182	0.9
217.12154	0.7
296.19968	0.7
342.24402	6.5
360.25317	100.0
361.25662	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05509	1.5
56.05035	1.5
57.03445	0.6
57.05820	0.2
57.07091	0.3
58.06599	46.2
59.04982	0.2
59.06934	0.5
60.91140	0.2
67.05503	4.5
69.03417	0.4
69.07069	0.5
69.80968	0.3
69.81339	0.5
70.06596	1.2
71.04990	1.2
71.44761	0.2
72.08149	2.6
77.31389	0.2
79.05494	1.7
81.07056	6.0
82.06554	0.2
83.04990	0.8
83.08633	0.3
84.08157	0.4
85.02907	0.8
85.06551	1.0
86.06066	0.4
86.09725	0.3
87.06847	0.4
88.07632	0.4
91.05476	1.2
93.07035	1.3
94.06572	0.2
95.04967	0.4
95.08611	0.9
96.08133	1.3
97.06531	0.3
98.09695	0.7
100.07623	0.7
105.04549	0.2
105.07038	0.9
107.05797	0.2
107.08582	1.1
108.08071	0.9
109.06513	3.2
109.10163	1.3
110.09678	0.3
111.08111	0.3
117.07072	0.2
118.08665	0.7
118.19639	0.2
120.08044	0.2
121.10162	0.5
122.09663	1.2
123.11699	0.9
125.09647	0.2
126.09163	0.7
127.03899	0.4
128.10716	0.5
131.08578	0.5
133.10127	0.8
135.11681	0.3
138.12822	0.2
144.10201	5.0
145.04938	0.4
146.09711	0.2
147.11668	0.2
150.40488	0.2
151.11125	0.2
209.15421	0.2
298.23743	0.4
306.24313	0.4
324.25323	1.7
342.26367	2.7
360.27417	100.0
361.21906	0.4
361.27759	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	360.2744
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
55.01869	0.3
55.05512	1.0
56.05028	1.4
57.03431	0.5
57.05795	0.2
58.06599	27.5
59.05016	0.2
59.06955	0.4
61.99646	0.2
67.05504	5.2
69.03432	0.4
69.07082	0.3
69.80444	0.4
70.06587	1.4
71.05009	0.9
72.08155	3.4
79.05491	1.2
81.07048	1.8
83.04992	0.7
83.08607	0.5
84.08160	0.3
85.02904	0.4
86.06051	0.3
86.09729	0.3
87.06852	0.3
88.07627	0.5
91.05466	1.0
93.07036	1.5
94.06574	0.2
95.04973	0.5
95.08604	2.4
96.08150	0.5
97.06522	0.7
98.09708	0.2
100.07619	0.9
104.49389	0.2
105.07019	1.1
107.04947	0.3
107.08594	0.8
108.08114	0.4
109.06542	0.2
109.10154	2.8
110.09714	1.2
110.10337	0.2
111.08064	0.3
118.08669	0.5
119.08614	0.7
121.10153	0.4
123.08054	1.4
127.03893	0.3
128.10719	0.9
131.08530	0.4
134.09705	0.2
135.11707	0.3
136.11198	1.8
137.09650	0.6
144.10196	0.8
145.10037	0.3
147.11708	0.2
152.10764	0.3
154.12254	0.4
163.03915	0.4
173.11624	0.2
201.12372	0.4
237.02994	0.2
249.80887	0.2
298.23776	0.4
306.24173	0.4
315.27112	0.4
324.25320	2.4
342.22260	0.2
342.26355	4.0
343.26724	0.6
360.27411	100.0
361.27716	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	360.2747
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
53.58579	0.2
55.01881	0.2
55.05510	0.3
56.05025	0.6
58.06340	0.2
58.06603	2.9
58.06874	0.3
67.05490	0.4
68.05010	0.4
69.03418	0.8
69.07061	0.5
69.85473	0.6
70.06589	0.3
72.08138	0.5
74.08766	0.2
79.05479	0.3
81.07050	0.5
82.06582	0.7
84.04498	0.2
84.08134	4.0
85.02907	1.2
86.06062	1.3
86.09705	1.4
86.82040	0.2
95.04970	0.6
95.08584	0.3
96.08134	1.4
97.02864	0.2
98.06055	0.3
98.09686	1.5
98.23352	0.3
99.04462	0.2
100.07616	0.2
100.11259	0.3
105.07072	0.2
108.08118	9.0
110.09641	0.2
126.09150	17.6
127.03918	0.6
127.09472	0.4
128.10709	2.4
144.10193	100.0
145.04961	0.5
145.10551	2.2
167.52783	0.2
186.10677	0.2
201.12358	0.5
229.11852	0.2
313.98892	0.2
324.25366	0.3
342.26352	0.6
359.76331	0.7
360.27417	57.6
361.27744	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
55.05515	17.5
56.05020	4.8
57.03422	6.8
57.05809	1.8
58.06590	7.8
59.04978	1.6
64.79243	1.8
67.05167	1.7
67.05505	27.2
69.06722	1.6
69.07063	19.5
69.63382	3.9
69.63771	3.3
70.06558	2.8
71.04650	2.1
71.04993	34.2
72.08157	58.5
73.06522	2.3
79.05497	27.1
81.06631	2.0
81.07058	26.4
83.04951	3.5
83.08625	8.2
84.08134	4.6
84.95546	1.6
85.06522	3.1
86.06056	3.1
86.09698	2.7
89.92356	1.7
91.05471	25.5
93.07047	31.5
95.04961	18.9
95.08620	15.2
97.06552	8.3
97.10181	10.0
98.09695	100.0
99.09990	3.3
100.07581	4.5
101.08357	3.4
102.09143	4.6
105.07029	10.7
107.08588	17.2
109.06544	13.4
109.10157	19.5
111.08041	6.6
113.09624	2.7
117.07023	8.5
119.08546	7.8
121.09396	1.7
121.10165	23.4
123.11751	4.0
125.09628	10.1
129.06932	2.5
131.08574	11.6
131.95297	1.5
133.10092	5.7
135.08038	1.7
135.11685	3.0
138.12764	1.9
143.08479	3.0
145.10054	3.5
147.11580	4.0
149.09561	3.6
149.13243	2.8
153.12747	15.6
155.08353	1.7
155.10608	5.8
156.13835	71.7
159.11586	3.9
172.13272	7.5
173.11757	34.5
177.12775	2.7
189.11261	8.1
190.14114	1.9
195.13774	3.9
213.14836	2.3
227.16301	5.8
228.52155	1.7
228.57335	1.7
235.16893	2.4
250.21712	1.6
257.19000	1.8
275.17535	1.6
275.20123	20.6
276.20200	1.8
293.20972	2.8
306.72971	1.9
307.22452	2.4
342.24023	2.9
342.27582	7.0
342.29736	16.9
360.28784	93.0
361.29205	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54461	1.5
55.05512	17.2
57.03428	2.6
58.06585	6.4
59.04993	2.2
67.05172	1.8
67.05509	25.8
69.03448	1.9
69.07064	20.1
69.63612	7.1
71.04994	23.8
72.08156	33.4
75.98830	2.0
79.05491	24.4
81.07058	15.7
83.04964	4.0
83.08611	9.1
84.08111	4.9
85.08798	1.6
86.09667	2.7
87.08099	1.9
88.03966	3.5
91.05482	40.4
93.07049	27.6
95.04977	6.8
95.08608	16.7
97.06534	7.7
97.10161	14.1
98.09701	30.3
99.08070	1.8
100.07691	2.2
102.09203	2.6
105.07059	11.3
105.07613	2.0
107.08589	23.3
109.06507	5.6
109.10156	19.4
111.08105	4.9
111.95938	1.9
112.05054	1.9
117.07042	13.5
119.08580	7.3
121.10143	26.8
123.08050	2.2
124.11228	2.4
125.09631	11.1
127.51986	1.7
129.07007	4.7
131.08562	6.7
133.10133	6.0
135.11662	2.5
142.12238	6.0
143.08545	5.8
145.10139	3.9
147.11697	2.0
149.09605	4.2
153.12752	18.6
155.10625	7.1
156.13846	17.9
157.10173	3.7
159.11786	1.9
163.11140	2.3
172.13307	6.8
173.11742	28.4
173.13182	2.4
189.11192	7.9
257.19003	1.9
258.18942	2.1
274.27209	4.1
275.20059	18.1
276.20374	2.6
342.30219	3.6
360.28885	100.0
361.29279	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	360.2896
Annotation	Hermitamide A
Peak:m/z	Relative Intensity
51.22648	0.4
55.05499	1.3
56.05038	0.5
57.03442	1.1
65.03909	0.7
67.05510	1.0
69.07059	1.4
71.21451	0.6
72.04504	0.9
72.08151	4.1
79.05489	1.6
81.07055	4.0
83.08621	0.9
86.09671	0.5
89.34771	0.4
91.05480	43.7
92.05825	0.9
95.08590	0.9
97.06528	1.7
98.09686	13.4
99.08066	1.3
103.05522	0.4
105.07029	5.9
107.04936	0.8
115.05478	0.6
117.07018	26.5
118.07343	1.0
119.08572	1.1
121.06504	1.8
124.11247	1.2
128.06219	0.9
129.07001	10.2
131.08531	2.3
135.66034	0.4
140.14215	0.4
142.12268	13.1
143.08559	11.4
143.12584	0.4
157.10136	1.0
185.13289	6.9
193.94772	0.5
200.19838	0.5
203.14326	0.8
230.68611	0.4
234.07381	0.5
265.47372	0.5
278.29233	0.4
287.21454	0.5
342.27875	1.2
360.28946	100.0
361.29288	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84914	0.3
52.93702	0.3
55.01870	0.4
55.05512	2.5
56.05027	0.6
57.03188	0.3
57.03439	6.0
58.06602	0.6
67.05505	5.9
69.07069	3.3
69.61522	1.2
70.06593	0.5
71.04977	1.6
72.04525	0.4
72.08154	4.6
79.05490	4.3
81.07059	8.4
83.04994	0.6
83.08615	0.9
85.06542	1.2
86.09711	0.3
91.05476	1.5
93.07048	4.1
95.04939	0.3
95.08597	6.7
95.82806	0.3
96.08131	0.3
97.06546	2.3
97.10154	0.5
98.09692	11.7
98.34245	0.4
99.08084	1.5
102.09171	0.6
105.07017	1.3
107.08597	3.1
109.10138	2.0
110.09668	0.4
111.08063	0.5
113.09637	1.5
114.12801	0.5
115.07572	0.7
119.08577	1.0
121.10152	1.8
124.11256	0.5
125.09648	0.4
133.10132	0.6
135.11668	1.0
142.12268	4.6
147.11691	0.4
149.13269	1.1
158.15378	0.6
186.56281	0.3
315.95078	0.3
324.29025	0.5
342.30032	7.0
343.30362	0.3
360.31067	100.0
361.31387	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	360.9552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48397	1.6
75.62486	1.5
96.35127	1.6
123.03975	1.6
124.00955	1.6
131.86111	1.5
136.94022	74.8
147.07994	1.4
147.82065	1.4
151.63841	1.7
171.67525	1.5
173.94604	1.7
176.83092	1.7
196.86841	11.5
253.97012	1.7
262.97656	2.0
278.95187	100.0
279.95416	5.8
293.54840	1.8
318.84256	5.1
336.93423	1.7
355.37219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
51.14449	1.8
55.01885	2.8
55.05511	15.5
57.07079	5.6
65.03948	3.5
67.05505	23.2
68.99814	5.4
69.03428	6.4
69.07071	17.3
69.53721	2.7
69.54118	5.8
71.04997	3.3
75.06602	1.7
77.03947	2.6
79.05502	34.5
81.07059	32.9
83.08615	3.4
85.47633	1.7
91.05482	59.0
93.07050	57.8
94.07373	1.8
95.04973	60.4
95.08607	17.7
97.06538	19.5
98.22624	2.2
102.68233	1.6
103.05474	3.6
104.73206	1.7
105.04564	3.4
105.07034	100.0
106.07407	2.0
106.78149	1.8
107.04940	2.3
107.08599	27.3
109.06541	7.8
109.10146	10.0
115.05464	5.1
116.06258	4.6
117.07029	26.3
119.06046	2.0
119.08587	85.1
121.06521	10.3
121.10149	23.5
128.06223	11.9
129.01842	29.9
129.07008	16.9
130.07806	9.0
131.08578	45.2
133.10133	83.5
133.11153	3.5
134.10495	2.4
135.08081	2.8
135.11699	11.7
139.00281	2.4
141.07036	8.1
142.07782	19.4
143.08591	27.2
144.09334	8.5
145.10132	60.5
146.07274	2.5
146.10582	1.9
147.08061	3.4
147.11699	15.4
149.09630	4.3
154.07761	4.0
155.06088	2.6
155.08571	9.6
156.09367	13.6
157.10141	42.4
158.07323	2.6
158.10896	12.9
159.11699	25.4
161.09665	11.7
161.13281	2.9
165.07085	4.6
167.08551	4.6
168.09311	2.5
169.10129	19.1
170.10880	9.2
171.11710	18.4
173.09595	6.2
173.13263	38.5
175.11235	2.8
175.14825	16.8
179.08569	6.3
180.09277	3.7
181.10095	8.6
182.10916	8.3
183.11696	12.7
184.12437	3.5
185.08095	17.3
185.13228	10.1
187.11238	4.6
187.14841	26.6
192.09236	2.2
193.10112	10.7
194.10947	5.8
195.11720	12.6
196.12486	6.1
197.13281	16.8
199.14809	14.2
201.16437	3.1
205.09996	2.5
206.10945	7.3
207.11650	7.6
208.12541	3.0
209.13278	12.3
210.14034	2.0
211.14771	11.6
212.15601	3.5
220.12598	2.2
221.13268	10.2
222.14034	2.9
223.14836	6.8
235.14836	5.7
237.16370	4.5
239.14299	2.1
239.18073	3.9
243.11777	2.1
249.16380	2.5
251.18039	4.3
253.19501	3.1
259.15271	2.0
261.20288	1.8
263.18048	3.2
265.19583	4.2
266.20264	2.6
316.88986	2.0
343.24139	2.1
360.37634	4.5
361.11005	3.1
361.23355	58.7
362.23956	5.4
362.30646	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.5
55.01867	2.3
57.03423	3.8
58.06594	5.1
61.02922	6.0
69.03432	10.3
69.62567	5.4
70.06599	1.9
72.08161	1.5
73.02912	2.0
79.05505	2.3
81.03429	4.9
85.02904	40.6
87.04465	2.5
87.28053	1.6
91.03939	2.9
95.08636	2.1
97.02900	11.7
98.23386	2.3
98.98467	1.5
99.04456	1.6
105.07031	18.6
109.02884	3.4
122.03724	1.6
123.04429	37.1
127.03892	7.0
128.10681	1.6
132.01422	1.4
133.05710	0.9
133.06488	40.6
137.05977	100.0
138.06340	1.7
145.04958	10.3
163.05882	1.5
163.11258	1.2
165.05476	30.1
165.06822	2.5
165.09103	34.2
165.10431	2.4
180.08719	5.7
183.06593	6.6
183.10167	46.6
262.92496	1.2
267.46063	1.3
277.07159	1.3
280.69543	1.3
331.18393	1.3
344.23874	2.3
344.27890	2.9
361.27777	5.0
362.25046	6.1
362.29044	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99870	0.5
55.05524	3.6
56.05039	1.4
57.03451	1.0
57.28791	0.6
58.06610	1.2
60.04533	0.9
61.01150	0.7
67.05502	8.1
69.03443	1.2
69.07071	2.5
70.06594	100.0
71.05000	0.7
71.06934	1.9
72.08157	18.7
74.06067	0.7
75.19743	0.5
77.52637	0.5
79.05499	4.6
81.07052	7.0
83.08632	0.7
84.08157	2.3
85.02933	0.6
85.06534	1.2
86.09715	6.1
91.05491	2.3
93.07047	4.3
94.06570	0.9
95.04997	1.7
95.08610	14.4
96.08154	0.8
97.02907	0.7
97.06532	1.4
97.10176	0.7
98.09685	0.9
99.08067	0.6
102.05419	0.6
103.05468	1.1
104.05335	1.2
105.07039	2.0
107.08588	3.9
109.06473	1.0
109.10165	3.8
110.09692	4.8
111.08058	0.6
114.09212	0.7
116.07100	19.2
116.07904	1.1
119.08626	1.7
120.08107	44.7
121.08464	1.0
121.10143	1.6
122.09660	0.9
123.04469	0.8
123.08092	1.1
124.11237	2.2
128.10725	0.6
131.08598	1.2
133.10133	1.4
137.09636	1.2
141.09145	0.8
145.10117	0.6
147.11597	0.6
155.10591	0.7
157.13464	0.7
159.10181	2.4
170.15491	0.8
172.11623	0.6
185.16588	1.7
199.02443	0.9
200.03206	2.7
213.16028	1.5
217.13396	22.4
218.13684	1.2
219.14932	8.9
245.12862	13.9
245.15182	1.0
246.13263	1.1
247.14410	4.7
262.21808	0.6
263.13959	1.9
263.20029	1.3
264.23236	0.9
265.15475	7.0
280.22882	1.6
282.24344	1.6
298.23788	2.9
300.25391	0.6
308.22311	0.8
326.23364	1.1
344.11691	0.7
344.24475	14.0
344.28143	2.1
345.24673	1.0
362.08481	13.4
362.12723	1.2
362.20770	3.1
362.25323	28.3
362.29248	5.0
363.09134	2.4
363.25754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31531	0.6
55.05511	7.1
56.05030	3.6
57.05816	0.9
58.06594	3.0
61.01160	0.8
67.05503	2.6
69.07072	7.4
70.06593	38.7
72.08156	85.6
73.08493	1.0
79.05483	2.9
79.80388	0.8
81.07064	4.1
84.04524	0.8
84.08141	4.2
85.02910	1.1
85.06545	1.1
86.06087	0.7
86.09707	100.0
87.04443	0.8
87.09561	0.7
87.10059	2.4
91.05480	2.8
93.07053	3.6
94.06587	0.9
95.04959	1.4
95.08640	2.1
97.02880	1.1
97.06519	1.4
98.09687	1.2
98.98458	0.7
102.05520	0.8
103.05472	1.8
104.05318	2.8
105.07021	2.3
107.08582	1.1
107.19440	0.8
109.10152	0.9
110.07193	1.0
110.09650	0.7
116.07095	77.6
117.07471	1.1
119.08572	1.4
120.08107	95.9
121.06523	0.8
121.08454	2.3
121.10149	2.6
123.04449	1.6
123.08048	0.7
128.10699	1.7
131.08606	0.8
133.03206	2.3
133.10049	0.8
137.06039	0.8
146.08080	0.7
147.04364	0.9
147.11668	0.9
149.05984	0.7
150.05826	9.6
161.13208	0.6
163.03903	1.0
164.04222	0.9
169.08571	0.8
183.10109	0.7
185.16498	47.2
204.08699	1.6
204.66917	0.7
213.15994	29.7
214.16357	1.4
215.13901	1.5
219.14938	39.0
220.15308	1.7
247.14432	15.4
248.14746	1.1
249.12692	7.3
298.23776	0.8
326.23315	2.0
344.24545	6.0
344.27832	1.5
362.24924	6.5
362.29111	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	362.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61562	0.9
55.01872	1.2
55.05507	4.3
56.05037	38.6
57.07095	1.2
58.06597	1.2
61.01150	35.8
67.05499	4.4
69.07070	1.7
69.54489	1.8
69.54874	2.3
70.06593	57.6
71.06941	1.8
71.08624	8.8
72.08152	28.7
73.08521	1.5
74.06080	4.8
75.02705	1.7
79.05499	2.5
81.07057	4.4
84.08152	2.1
85.02912	1.6
85.06577	1.6
85.70163	0.9
86.09707	67.6
87.05608	1.8
87.10037	2.3
89.04234	2.6
91.05486	2.3
93.07051	3.9
95.04967	1.7
95.08612	8.0
95.09109	1.0
96.08146	2.3
98.09686	9.1
104.05328	53.3
105.07017	1.5
107.08576	2.0
109.10162	2.0
110.09702	6.3
114.09173	2.4
115.23578	0.9
116.07102	11.2
118.08669	3.4
120.08105	16.8
120.08904	1.7
121.10163	1.8
124.07664	0.9
124.11236	9.1
132.04811	2.6
141.10229	2.3
142.37546	0.9
143.11813	1.3
155.11787	8.1
155.98866	0.9
169.13348	7.6
172.11560	43.7
173.11818	2.3
185.16510	2.0
197.12814	5.3
203.12105	9.0
215.13817	2.4
217.13692	100.0
218.13942	4.7
219.14987	3.7
231.11726	3.8
231.17027	15.4
245.13191	42.2
246.13524	2.2
247.14511	1.9
263.13913	13.3
264.23367	1.3
265.15552	1.1
280.22720	1.8
326.23511	1.8
333.07721	1.1
334.07996	1.2
344.24515	10.7
344.28061	2.3
345.24756	1.0
362.07541	4.3
362.20956	3.8
362.25244	15.2
362.29199	2.7
363.08566	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	362.2689
Annotation	U-75302
Peak:m/z	Relative Intensity
55.05509	2.0
56.05036	1.6
57.03435	1.7
58.06340	0.4
58.06601	5.2
65.01247	0.2
67.05503	3.1
69.07053	1.0
70.06584	2.5
70.37379	0.5
70.37712	0.4
71.07353	0.4
72.08152	1.6
77.65982	0.3
79.05492	1.0
81.06612	0.4
81.07056	3.4
82.01276	0.3
82.06562	0.4
83.08597	0.4
84.08142	9.6
85.06535	0.5
85.08478	0.3
88.07637	0.7
91.05472	0.5
93.07038	0.9
95.04971	0.7
95.08604	3.3
96.08127	1.7
97.08903	0.3
98.09680	0.8
104.99274	0.6
105.07013	0.4
107.04958	0.6
107.08590	0.5
109.10136	0.8
110.09675	1.1
112.11240	1.2
114.09136	0.4
121.06487	0.6
123.03515	0.5
123.04428	9.9
124.04771	0.4
124.11238	0.5
128.10707	1.1
135.08075	0.4
137.05954	0.6
149.05969	2.4
161.05943	0.3
162.89026	0.3
163.07516	1.3
168.70480	0.3
180.17465	0.3
222.22203	0.5
235.38947	0.3
300.27975	0.3
311.49475	0.3
344.25815	25.0
345.26120	2.2
362.26871	100.0
363.08023	0.3
363.27170	9.1
368.62155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2689
Annotation	Daphnezomine A
Peak:m/z	Relative Intensity
55.05514	15.0
57.03446	7.6
57.07072	13.6
58.06603	6.6
67.05503	35.2
69.07059	28.1
70.06593	18.7
72.04512	9.3
72.08146	7.7
72.09222	3.5
74.06085	5.6
74.09715	15.3
77.03941	4.2
79.05489	27.7
81.07054	43.3
83.08612	10.7
88.07642	7.7
91.05481	94.6
93.07036	29.1
95.04966	9.2
95.08601	45.1
95.19475	3.8
96.08122	10.5
97.06527	21.9
97.10182	5.5
98.06017	4.5
98.09702	12.1
99.08091	4.2
104.99302	8.2
105.03399	47.4
105.07020	14.4
107.08579	18.9
109.10160	13.2
114.09195	8.2
117.07032	41.3
119.08617	6.9
121.10149	11.7
123.11729	5.5
129.07014	12.1
131.08562	69.2
133.06458	7.1
135.11707	14.8
141.07034	5.6
142.08635	58.2
143.08588	14.0
145.10085	21.4
149.13243	7.9
157.10104	8.6
159.11713	5.6
165.12772	15.3
169.10132	4.8
171.11690	12.4
177.16380	4.2
185.13306	4.4
201.12683	4.2
231.17462	5.6
264.23190	4.4
270.27948	11.5
281.22522	17.5
298.25302	8.1
299.23605	8.9
316.26349	100.0
317.26550	5.5
326.24744	13.1
327.25397	6.2
334.27313	8.3
344.21783	5.2
344.25864	69.7
344.29608	7.7
345.26230	7.4
362.23203	10.8
362.26547	10.5
362.30115	76.7
363.19189	8.4
363.26456	5.1
363.30954	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	362.2691
Annotation	U-75302
Peak:m/z	Relative Intensity
53.32239	0.3
55.05512	1.8
56.05039	2.2
57.03434	0.8
58.06604	1.2
67.05511	1.9
68.05042	0.5
69.07073	1.5
69.75829	1.1
70.06596	3.2
71.04993	0.8
72.08161	1.1
77.03960	0.4
78.84269	0.3
79.05508	1.9
81.07047	2.7
82.06579	1.6
83.04980	0.5
84.08147	5.3
85.85832	0.4
86.09693	0.4
88.07634	1.6
91.05473	3.6
93.07037	2.3
94.06561	0.5
95.04984	0.8
95.07341	0.8
95.08595	2.2
96.08138	3.3
97.06512	1.0
98.09673	1.0
100.11227	0.4
101.91686	0.3
104.99304	0.5
105.03396	13.3
105.07047	0.5
106.03763	0.5
107.04955	1.0
107.08580	1.1
108.08126	2.3
109.08879	0.4
109.10173	0.7
110.09686	7.4
112.11239	0.6
114.09173	3.8
117.07019	2.5
118.92107	0.3
121.10151	0.6
122.09671	1.3
123.04431	2.1
123.10509	0.6
123.30859	0.4
124.11283	0.5
124.74294	0.4
128.10719	23.4
129.07001	0.6
129.11118	0.7
131.08580	0.6
135.11743	0.4
142.26424	0.3
143.08569	0.5
149.05951	0.5
154.12329	0.4
162.41806	0.4
198.12628	0.3
220.05273	0.4
286.21692	1.5
313.21759	0.5
326.24780	12.7
327.25211	1.0
344.25854	45.0
345.26160	4.0
362.26889	100.0
363.27194	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	362.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.0
58.06603	1.8
62.02216	0.7
67.05498	1.1
68.37694	0.6
70.06591	1.8
72.08147	1.1
82.06582	0.8
84.08134	2.3
86.06071	2.0
87.06845	2.1
88.07627	1.0
91.05479	8.3
93.07044	0.8
95.04965	1.4
96.08107	4.7
98.09684	7.7
98.98486	0.8
104.99283	2.0
108.08116	9.6
117.07011	4.3
122.09702	1.4
124.07642	0.7
124.11224	2.8
126.09155	21.0
129.06956	1.1
137.36584	0.7
140.10692	1.9
142.08621	1.7
142.12280	5.4
143.08508	1.1
144.10193	100.0
145.10544	2.8
174.85048	0.8
326.24826	1.2
344.25879	8.5
345.26376	0.8
362.26865	54.6
363.27368	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	362.2692
Annotation	Dihydroajaconine
Peak:m/z	Relative Intensity
55.05516	0.4
56.05033	1.0
58.06601	1.9
67.05492	0.5
68.05008	0.4
69.07059	0.5
70.06588	1.2
70.07267	0.8
71.05011	0.4
72.04495	0.3
72.08141	0.6
74.06076	0.4
81.07054	0.4
82.06594	0.8
84.08147	3.0
86.06061	1.9
87.06841	1.7
88.07636	1.3
91.05480	6.1
93.07056	0.5
95.04974	2.9
96.08127	3.0
97.06528	0.3
98.06048	0.5
98.09693	4.5
100.07624	0.9
105.07020	0.6
107.56062	0.4
108.08120	7.0
116.10764	0.8
117.07026	2.2
119.08621	0.3
121.06486	0.3
122.09679	0.4
124.07631	0.6
124.11199	1.9
126.09152	17.6
127.09493	0.3
128.10735	0.5
129.07007	0.7
131.08568	0.7
142.12262	3.6
143.08563	1.0
144.10199	100.0
145.10545	2.3
185.13223	0.6
210.30461	0.3
214.71754	0.3
255.17410	0.5
295.20670	2.6
300.36417	0.3
326.24817	1.9
344.25839	28.1
345.26050	1.7
362.26862	33.3
363.27255	2.7
368.93738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22695	0.3
55.01868	1.0
55.05288	0.3
55.05511	3.0
56.05031	1.8
57.03439	9.9
57.07074	2.3
58.06594	1.2
61.28982	0.3
61.78956	0.3
65.03934	0.8
67.05505	6.4
69.06702	0.6
69.07064	6.9
69.56815	1.5
70.06592	5.5
70.50581	0.3
71.04972	1.3
71.08630	1.1
72.04506	1.3
72.08160	5.7
73.06540	0.4
79.05502	2.7
81.07056	9.7
83.04973	0.6
83.08611	1.2
84.08144	1.0
85.08901	0.4
85.10190	0.4
86.09704	1.0
88.07629	2.3
88.55468	0.4
91.05479	26.9
92.05835	0.5
93.07063	3.0
95.08600	10.1
97.06525	5.1
97.10161	1.1
98.09692	17.8
99.08092	5.9
102.09172	1.4
105.07021	4.2
107.08595	1.9
109.10152	1.7
110.17158	0.3
111.08081	0.8
113.09646	2.8
115.05417	0.8
115.07550	0.8
117.07018	16.6
118.07331	0.4
119.08614	0.6
121.10154	1.6
123.11689	0.4
124.11224	1.0
125.09583	0.9
128.06261	0.5
129.06992	2.8
131.08565	27.0
132.08897	0.5
132.10197	2.7
135.11700	1.7
142.12271	7.8
143.08585	2.2
145.10110	2.7
145.74976	0.3
146.11754	2.5
149.13255	0.7
157.10112	1.4
169.10205	0.4
171.11688	0.9
185.13281	0.6
187.14827	0.5
212.23775	1.1
238.25398	0.5
256.26385	4.4
281.22711	0.4
299.23709	1.0
300.28976	11.9
301.29218	0.8
310.86700	0.3
332.53583	0.4
344.29413	5.0
362.30191	100.0
363.30505	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	362.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
56.05025	1.7
57.03180	0.6
57.03437	9.3
57.07074	3.7
58.06586	1.7
58.60859	0.4
65.03937	0.6
66.07977	0.4
67.05499	5.3
67.38586	0.4
67.66752	0.4
69.07060	4.4
70.06240	0.8
70.06593	11.8
70.72319	0.7
71.04991	0.6
71.08627	1.4
72.04510	0.8
72.07783	0.7
72.08154	6.9
73.06532	0.6
79.05491	2.3
81.07053	5.7
83.04969	0.8
83.08630	1.0
84.08146	1.7
85.06547	1.2
85.10163	0.6
86.09721	2.2
88.07626	5.3
89.06020	0.5
91.05478	22.0
91.06052	1.1
93.07044	1.8
95.08611	5.2
97.06534	2.3
97.10178	0.7
98.09686	19.0
99.08086	3.4
102.09183	3.8
105.07028	2.4
107.08629	1.0
109.10155	1.3
113.09642	2.7
114.09182	0.5
115.07561	0.7
117.07018	11.5
121.10164	0.9
124.11245	0.6
125.09632	1.0
129.06989	1.7
131.08563	15.0
132.08891	0.5
132.09190	0.5
132.10196	4.9
135.11673	0.5
142.12265	7.1
142.13350	0.6
143.08549	1.2
145.10104	1.5
146.11758	4.8
157.10126	0.5
158.15411	0.9
163.09494	0.4
171.11740	0.6
212.23758	1.8
227.32985	0.4
238.25343	0.8
256.26337	9.4
257.26608	0.8
299.23654	1.4
300.28955	21.5
301.29349	1.1
344.29370	8.2
345.29785	0.8
362.30640	100.0
363.30298	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	362.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05521	2.6
56.05033	2.0
56.96561	0.4
57.03439	2.2
58.06600	5.7
60.04528	0.5
65.03941	0.6
67.05505	4.5
69.07075	1.9
69.21326	1.7
69.21734	1.1
70.06595	3.9
72.04528	0.6
72.08157	12.2
73.05305	0.5
79.05481	1.6
81.03384	0.5
81.07059	4.9
82.06562	0.7
83.04985	1.0
83.08618	0.8
84.08144	6.6
85.06525	0.5
85.08920	1.3
86.06051	1.1
86.09693	1.1
87.06851	0.6
88.07618	2.5
91.05482	20.5
92.05829	0.8
93.07042	2.3
95.04976	2.9
95.08601	4.1
96.08135	2.3
97.06534	1.7
97.10172	1.0
98.06060	2.5
98.09697	6.0
99.08091	0.6
99.49836	0.4
100.07597	1.5
101.83595	0.5
102.09182	6.4
105.03345	0.5
105.07034	2.3
107.04956	0.7
107.08593	1.8
108.08105	2.4
109.06532	2.5
109.10198	1.0
110.09698	2.6
111.08096	0.6
112.07592	0.5
112.11292	0.6
114.09166	1.7
117.07017	8.4
119.08566	1.0
122.09657	0.6
123.04404	0.4
124.11226	1.6
126.09146	2.9
128.10701	5.5
129.07025	1.4
131.08571	9.9
140.10706	1.0
140.14380	1.2
142.12273	2.2
143.08560	1.5
144.10196	9.9
145.10121	1.2
157.10115	0.7
158.11794	0.8
158.15460	0.8
295.20694	0.5
326.24585	0.9
326.28217	1.6
344.25204	6.0
344.29227	3.0
345.26154	0.6
362.26724	26.5
362.30527	100.0
363.21344	0.6
363.27023	1.9
363.30844	6.5
363.35504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.6
55.05514	9.9
57.07079	3.6
58.06599	3.5
60.04527	39.4
60.72655	0.4
65.03930	1.1
67.05499	1.0
68.99799	0.7
69.06052	0.4
69.07072	11.5
70.06598	0.4
70.70880	0.6
71.08645	2.1
79.05469	0.6
81.07060	0.9
83.08617	6.7
84.08185	0.4
85.10186	0.4
86.06072	4.0
86.09698	0.5
89.06046	1.7
91.05482	49.9
92.05808	0.7
95.04897	0.4
95.08589	1.0
95.64051	0.4
97.10172	5.9
97.46525	0.4
105.03725	0.6
105.07030	9.9
107.03307	0.8
109.10157	0.5
111.11707	2.5
117.06274	0.6
117.07027	6.3
119.08580	1.7
124.05982	0.8
125.13281	1.0
129.01820	4.0
130.02173	1.8
130.77951	0.4
131.08571	11.4
132.08932	0.4
133.08617	0.6
133.10129	1.0
145.10133	1.2
147.11668	0.6
177.11322	0.4
179.14427	0.4
185.08156	1.5
186.08478	1.2
195.12303	0.6
216.62688	0.3
255.06746	0.4
296.29553	2.8
298.30164	1.3
302.28421	100.0
303.28772	8.0
320.29510	0.8
344.29492	49.3
345.29865	3.7
362.23337	1.0
362.26559	0.6
362.30551	10.4
363.29337	0.7
366.31827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
59.23090	1.1
60.49099	1.1
67.05507	5.2
69.78795	3.2
70.06587	4.8
72.08148	4.6
75.40126	1.2
79.05502	2.5
81.07058	4.4
84.08122	3.7
84.32257	1.1
86.09699	2.8
93.07045	2.8
94.06538	1.5
94.68452	1.2
95.08618	2.8
99.00938	1.6
105.07033	1.2
106.06567	1.3
107.08624	1.3
110.09676	1.5
114.09220	1.6
120.08105	4.6
121.10159	2.7
123.04464	7.0
124.04798	1.1
128.10703	8.7
149.09671	1.3
183.13875	1.4
294.17062	2.6
316.22864	1.2
317.22845	1.3
327.21512	2.5
345.22632	3.4
362.23343	4.4
362.28873	1.9
363.14182	100.0
363.23502	26.4
363.29391	2.2
364.14517	7.0
364.25101	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	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69728	8.6
55.05525	9.4
69.79829	19.2
77.96452	6.8
85.50478	7.2
88.00295	7.3
98.23407	9.9
104.99292	40.0
115.16574	9.8
135.97401	8.0
138.72423	7.2
146.65150	8.3
235.17564	7.5
261.18555	10.2
270.27905	8.1
363.19147	100.0
363.25031	10.4
364.19501	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
57.07072	0.9
67.05498	5.5
69.07067	11.1
69.09373	4.4
70.18457	0.5
70.45036	0.5
71.04985	1.4
71.08616	0.8
73.06560	1.0
79.05505	3.8
81.07056	10.4
83.04971	1.5
83.08619	3.0
85.06537	1.0
89.06026	1.8
91.05492	1.2
93.07033	4.9
95.08607	10.5
97.06542	2.8
97.10178	0.9
97.62305	0.6
99.08095	0.7
102.80588	0.6
105.07012	3.0
107.08598	6.6
109.06519	8.8
109.10149	4.4
111.08080	2.8
117.04565	0.6
119.08605	4.1
121.10133	4.6
122.07287	0.6
123.08067	57.5
123.11711	2.4
124.08390	0.9
131.08560	0.9
133.10123	3.2
135.08038	4.5
135.11694	1.8
137.09567	4.3
143.50505	0.6
145.10124	1.8
147.11694	2.4
149.09685	1.6
149.13254	2.5
151.09673	1.4
151.11157	0.8
159.11679	1.0
161.13290	1.0
165.12773	0.9
167.14400	0.8
177.12779	0.8
179.14296	14.5
188.38658	0.6
189.25952	0.7
207.01831	0.6
210.48965	0.6
230.39484	0.7
233.19092	1.0
275.19977	0.8
307.22672	6.9
312.58087	0.7
331.26294	4.5
363.28922	100.0
364.29211	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	364.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21743	0.8
55.01653	0.9
55.01876	10.7
55.05512	9.3
56.05879	0.7
57.07076	2.1
67.05506	5.9
68.05027	0.8
69.07059	3.9
69.41927	1.5
69.42319	1.8
71.04993	1.4
71.08636	2.7
71.72675	0.7
79.05495	6.1
80.05017	3.1
81.07063	5.7
83.04987	1.1
83.08636	5.4
86.00668	2.0
89.06012	3.0
93.07056	5.9
94.06568	3.4
95.04912	0.7
95.08604	7.3
97.01106	1.0
97.10165	1.3
99.08090	1.6
100.02197	0.9
100.74861	0.8
105.05762	2.7
105.07030	2.3
106.06535	1.5
107.08624	2.4
107.17223	0.9
108.04453	0.8
109.06549	2.0
111.08078	13.1
112.02187	16.9
115.05379	0.8
117.05747	2.1
118.06546	13.1
119.07306	4.7
119.08576	0.9
120.08095	2.4
121.06496	1.2
123.08061	4.4
124.02167	8.1
125.04269	0.9
126.00116	1.1
126.03737	14.0
129.07027	1.3
130.06503	5.7
131.07289	1.8
131.08545	0.8
132.08093	10.5
133.05261	1.5
133.08711	2.0
133.10130	1.1
134.06001	1.3
135.02679	0.8
136.02158	5.2
136.43674	0.8
137.02945	5.5
138.03729	11.6
140.05257	0.8
141.06956	0.8
144.08044	2.0
145.08852	1.3
145.10178	1.2
145.70746	0.7
146.06032	5.1
146.09654	3.5
147.06824	1.3
147.10449	1.1
149.03006	1.3
150.03741	9.4
151.04489	4.5
152.01677	6.1
152.05269	6.8
155.07289	1.2
156.08124	1.8
157.10136	1.5
158.09680	2.4
159.10446	1.2
159.85197	0.7
160.07578	1.1
160.11217	2.1
162.03723	4.7
164.01665	8.0
164.05365	4.6
165.02423	2.5
165.06082	1.6
166.03224	2.5
166.06851	1.1
166.16290	0.9
168.08099	1.1
169.08859	0.9
170.09639	1.2
171.11742	0.9
172.07600	1.6
172.11266	2.2
173.11972	3.7
174.03802	0.9
174.12782	4.7
175.13599	1.2
176.05299	1.8
176.14299	1.2
178.03226	17.3
178.06752	1.2
180.08478	1.0
182.09900	1.4
183.10434	1.3
184.11206	2.3
185.11925	1.9
186.09146	1.2
186.12778	1.1
188.05290	1.1
188.14406	2.5
190.06732	0.9
192.04771	1.3
192.08453	1.0
194.10013	2.8
200.10605	1.6
201.11493	2.0
202.06747	1.0
202.12296	4.2
202.15942	2.4
203.12993	1.8
204.13745	1.1
206.10020	6.9
207.10492	1.2
208.11598	7.1
210.09486	1.3
216.08394	3.0
216.13809	0.8
216.17603	1.2
218.09998	3.1
218.11868	1.3
219.10658	1.0
219.12595	3.4
220.07932	1.6
220.11446	1.6
220.13345	4.6
222.09538	1.4
224.11041	0.9
228.13885	1.9
230.15466	1.4
234.09500	9.5
235.10225	3.4
236.11060	12.9
237.11530	1.1
244.07979	1.6
246.14989	2.7
247.07664	1.3
247.10089	0.9
248.10902	4.2
249.11519	0.9
252.10542	8.8
254.12079	1.3
256.13339	1.1
256.16898	0.8
257.56232	0.8
260.13086	1.1
260.16455	2.9
262.08936	5.6
262.12762	2.0
264.10541	5.8
265.11441	4.5
266.12033	5.1
274.14337	1.1
274.18167	1.1
275.06943	1.2
276.10574	1.7
280.09979	6.4
284.86877	1.0
289.08569	0.9
293.10782	1.9
294.11444	2.2
300.17996	1.7
302.21262	1.4
303.06320	1.1
303.21915	1.5
313.20267	1.2
318.18777	8.6
321.11285	2.1
322.18387	2.1
323.97037	0.8
328.17294	7.2
330.20670	1.1
331.21426	4.0
336.19940	31.6
337.20200	2.7
346.18362	28.9
347.18625	2.6
364.19418	100.0
365.10196	10.4
365.19669	11.5
372.40457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.7
57.03441	3.3
67.05511	5.4
69.07078	6.0
70.06592	6.7
70.73286	2.0
70.73650	3.5
73.02916	5.0
79.05492	9.9
81.07052	13.0
83.04990	3.4
85.02903	16.4
87.84145	1.8
91.05495	9.0
93.07042	64.5
95.01331	6.7
95.04971	2.3
95.08604	27.6
97.06518	2.5
98.09724	4.1
100.10790	1.9
105.07037	2.8
107.08595	100.0
108.08918	3.1
109.06505	2.4
109.10171	4.9
113.02386	6.4
114.99359	1.7
116.63036	1.7
120.08133	3.4
121.10146	4.0
123.04455	2.1
123.11691	2.1
126.09180	1.7
128.10738	5.2
129.07086	1.9
131.03387	1.7
131.08568	2.3
135.11691	98.4
136.06172	3.6
137.13268	3.6
141.01833	23.8
149.13289	4.3
153.12743	85.1
159.02885	5.7
163.11244	3.5
165.12766	2.7
167.10815	1.7
167.14316	2.6
171.13789	3.2
247.13103	1.9
265.14221	4.0
291.06683	1.7
293.13931	5.5
311.15021	5.5
321.11176	4.1
344.75546	1.9
346.23889	4.7
363.31949	5.3
364.24805	11.2
364.28546	5.2
364.32330	3.9
365.10239	12.8
377.72617	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01866	3.3
55.05499	4.2
56.05020	1.4
57.03446	6.9
58.06602	1.9
61.02931	11.5
67.05493	8.3
69.03429	27.6
69.07073	4.2
70.06582	8.8
71.04983	5.0
72.08151	5.9
73.02910	5.9
79.05494	9.4
81.03423	7.6
81.07053	10.5
82.06554	1.3
83.04969	2.5
84.08118	1.4
85.02908	100.0
85.06548	2.2
86.03219	1.7
86.06051	1.6
86.09708	15.4
87.04467	13.6
91.03939	7.3
91.05486	4.4
93.07039	16.6
94.06570	1.6
95.08608	14.6
97.02892	26.9
97.06533	5.1
98.09679	3.7
99.04455	5.9
101.06014	2.4
105.03369	1.7
105.07024	2.6
107.08573	2.3
109.02876	8.3
110.09690	2.0
111.04390	1.6
114.09146	2.3
115.03934	15.0
117.07003	2.0
119.08598	1.4
120.08111	26.2
121.10152	25.5
123.04423	8.6
125.05965	1.7
127.03913	21.9
128.10715	17.6
129.05518	1.5
131.08551	2.0
131.32744	1.5
139.11180	28.2
142.12289	2.4
144.10352	1.5
145.04965	32.9
149.09624	2.4
154.39890	1.3
157.12233	1.9
157.13364	5.5
163.05994	4.3
167.10728	5.5
180.10185	12.3
185.11676	4.4
185.13084	2.1
246.06776	1.9
247.07646	1.7
275.07022	1.3
303.06543	2.8
321.11078	2.7
328.22672	4.6
346.23663	15.3
346.27051	1.6
364.24753	31.6
364.28479	6.5
365.10181	13.3
365.19485	2.4
365.24533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2235
Annotation	Val Val Phe
Peak:m/z	Relative Intensity
53.03942	0.4
55.05259	0.5
55.05514	6.5
56.05035	0.8
57.05820	0.9
62.08319	0.3
65.55425	0.3
67.05503	0.6
69.07093	0.3
69.60176	1.2
70.06590	2.1
71.05005	0.3
72.08156	100.0
73.08492	1.4
74.06070	0.9
79.05493	0.6
81.07042	0.5
84.08151	0.6
86.09693	2.3
91.05489	0.5
93.07047	0.7
95.08626	0.8
98.22800	0.3
100.07642	0.6
107.08600	0.5
115.08694	0.6
120.08107	8.7
121.10201	0.7
128.10724	0.7
143.15373	0.3
163.22935	0.3
166.08626	4.4
167.10727	0.8
171.14928	36.0
172.15262	1.2
187.47264	0.3
199.14424	24.1
200.14752	1.1
219.14987	1.1
245.09277	0.4
247.14415	0.5
263.10361	0.3
264.23407	0.3
265.15491	2.9
291.10098	0.3
305.11353	0.8
321.11224	0.4
323.12546	0.3
328.24811	0.5
346.25922	0.9
348.39273	0.3
364.27136	3.0
365.10077	1.0
365.13693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90176	0.5
53.03942	0.5
55.01876	1.0
55.05520	2.5
56.05034	1.3
57.03437	4.5
58.02948	1.5
58.06605	4.7
58.88461	0.5
67.05511	6.4
69.07065	3.1
70.06590	2.0
70.67193	0.9
71.05003	0.8
72.08157	4.1
79.05496	5.1
81.07055	7.8
83.04983	1.1
83.08624	1.0
84.08147	27.1
85.06557	0.7
85.08490	0.5
88.07612	0.7
93.07034	2.9
95.04962	0.9
95.08605	4.6
96.08141	1.5
97.06530	3.1
98.09684	4.4
99.08110	1.2
105.04556	0.7
105.07046	2.4
107.04958	22.6
107.05680	1.2
107.08588	1.9
108.08136	0.6
109.06510	1.1
109.10200	1.0
110.09667	3.0
111.08067	0.6
112.11272	1.0
113.09641	0.8
119.08619	0.9
121.06524	1.6
121.10175	0.9
123.08046	0.6
124.11241	0.7
125.06061	0.5
125.09630	0.8
128.10724	12.5
131.08546	1.0
133.06499	9.7
133.10110	0.7
134.43025	0.6
135.08015	0.7
135.11696	0.7
142.12332	2.4
145.06491	1.5
147.08054	13.3
147.11696	0.6
155.30862	0.5
159.08110	1.7
161.09656	1.9
173.09605	0.7
176.14352	0.9
177.14754	0.7
201.12706	0.9
236.16318	1.1
273.18552	0.8
303.06488	0.8
315.23178	0.7
321.11258	1.1
322.13077	1.0
328.26398	4.8
340.99799	0.6
346.27429	18.9
347.27786	1.7
364.20926	3.5
364.28442	100.0
365.10275	4.1
365.19266	0.9
365.23730	0.8
365.28717	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	364.2846
Annotation	8(9)-EpETrE-EA
Peak:m/z	Relative Intensity
51.20447	0.3
54.53934	0.3
55.05509	1.3
55.07387	0.2
56.05033	1.6
57.03424	1.0
58.06335	0.4
58.06599	5.2
64.97838	0.3
67.05505	3.7
69.07068	0.8
70.06581	2.1
70.58607	0.5
71.07374	0.6
72.08147	2.1
79.05477	0.5
81.07045	2.1
82.06614	0.4
83.08621	0.8
84.08136	9.8
88.07610	0.8
93.07058	0.4
95.04962	1.1
95.08594	1.6
96.08114	0.7
97.08922	0.3
97.10159	0.4
98.09684	0.9
103.97691	0.3
109.10159	0.8
110.09660	0.7
112.11229	1.1
123.04424	28.6
123.11681	0.3
124.04729	0.6
137.05952	0.6
149.05971	0.6
163.07504	0.7
178.37268	0.3
198.98856	0.4
246.06757	0.3
247.07669	0.8
260.08289	0.4
263.10611	0.5
275.07034	0.8
289.08673	0.3
291.10214	0.5
303.06494	0.7
307.09769	0.4
314.42316	0.3
321.11255	1.2
322.98715	0.6
335.09073	0.5
346.27377	26.9
347.27792	1.9
364.28412	100.0
365.10184	6.4
365.28787	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	364.2848
Annotation	5(6)-EpETrE-EA
Peak:m/z	Relative Intensity
53.77040	0.2
55.05513	1.5
55.55485	0.2
56.05021	0.7
58.06599	0.7
58.42669	0.2
61.43298	0.3
66.18544	0.3
67.05496	3.6
69.07058	0.8
69.48066	1.0
70.06593	7.7
70.88850	0.3
71.04991	0.4
71.07369	0.3
72.08160	1.3
78.25926	0.3
79.05506	0.5
81.07059	2.1
83.08617	0.4
84.08144	2.3
86.09692	1.9
88.07632	5.4
93.07026	0.3
95.04966	1.0
95.08589	1.8
96.08125	1.4
98.09705	2.8
109.06513	0.3
109.10117	0.7
110.09691	1.3
111.10472	0.4
112.11243	2.8
117.07011	0.3
122.29317	0.3
123.04426	27.4
123.38485	0.2
124.04742	0.6
124.11188	0.5
128.10666	0.3
131.08583	0.3
137.05957	0.5
149.05980	0.9
205.88130	0.3
223.09747	0.3
278.21048	0.5
303.85870	0.3
310.25275	0.4
318.24200	0.4
321.11197	0.5
328.26401	1.5
346.27390	29.0
347.27759	2.3
364.28424	100.0
365.10175	2.0
365.28793	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	364.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05502	2.8
56.05029	1.8
57.03433	3.3
57.07082	0.6
58.02934	0.4
58.06597	3.0
67.05504	5.8
69.07065	4.6
70.06586	1.8
71.04987	1.7
71.07463	0.5
72.04520	0.6
72.07785	0.8
72.08154	9.2
79.05485	8.9
81.03420	1.2
81.07053	8.0
82.06605	0.7
82.82867	0.4
83.04996	1.7
83.08611	0.9
84.08136	11.9
85.08964	0.5
86.09731	0.8
88.07636	1.0
91.05467	8.7
93.07034	6.0
95.04956	3.3
95.08592	5.1
96.08105	0.9
97.06527	3.8
97.10152	0.5
98.09686	11.6
98.23423	1.4
99.08098	2.1
102.09179	1.1
105.07024	4.0
107.04947	8.5
107.08590	2.9
108.08118	0.5
109.06545	1.1
109.10143	0.9
110.09673	1.5
111.08080	1.4
112.11269	0.6
117.07030	2.2
119.08548	3.1
121.06503	1.2
121.10168	1.3
123.08104	2.3
124.11223	1.7
125.09624	0.7
126.09148	0.7
128.10718	4.6
129.07031	0.9
131.08553	2.2
133.06459	2.5
133.10133	0.9
135.08038	0.9
137.09616	0.9
142.12262	6.7
143.08595	1.1
144.10173	1.3
145.10083	1.2
147.04402	1.3
147.08038	4.1
147.11781	0.8
149.09636	0.6
156.13867	1.1
157.10130	0.5
159.08073	0.8
161.09637	1.0
161.13226	0.8
163.11186	1.1
171.11664	0.6
173.13393	0.5
186.14897	0.8
191.07033	2.2
200.16451	1.1
200.20117	1.3
224.61067	0.4
246.06799	0.8
247.07639	0.7
248.08426	0.6
267.09018	1.4
273.18552	0.9
275.07022	0.6
285.10080	1.6
289.08652	0.7
291.10141	1.2
296.77792	0.5
303.06467	1.0
321.11197	1.3
328.26376	2.8
335.09195	1.1
346.27374	17.2
347.27832	1.3
364.28421	100.0
365.10236	8.4
365.19452	0.9
365.24069	0.8
365.28757	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	364.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26505	0.2
55.05296	0.2
55.05515	2.6
56.05036	1.6
56.88489	0.2
57.03436	3.3
57.07071	0.4
58.06599	3.6
65.03932	1.1
67.05160	0.4
67.05500	5.7
67.05859	0.4
68.05021	0.2
69.07061	3.0
69.69205	0.8
70.06595	2.7
71.04987	0.5
71.07359	0.5
72.08151	29.6
73.08468	0.6
79.05486	1.1
81.07054	7.6
83.08611	1.6
84.08142	3.6
85.06534	0.9
85.08920	3.0
86.09698	1.7
91.05476	32.0
92.05816	0.8
93.07040	0.7
95.04960	0.9
95.08606	6.4
96.08128	0.7
97.10168	1.2
98.06036	0.5
98.09687	9.9
102.09172	1.0
105.07021	3.7
107.08642	0.4
109.10162	3.6
110.09673	1.1
112.11259	1.3
115.05471	0.3
117.06183	0.4
117.07011	5.8
119.08551	0.7
123.11684	0.7
124.11202	0.3
129.06999	1.0
131.08562	6.8
142.12259	0.4
143.08536	0.7
145.10120	0.9
157.10146	0.6
162.25061	0.3
171.11612	0.5
221.14604	0.3
263.10800	0.3
275.07004	0.5
289.08609	0.2
291.10004	0.4
303.06348	0.4
321.11224	0.6
328.26376	0.9
328.29922	12.4
329.30255	0.9
335.09167	0.3
346.27347	3.2
346.31024	40.3
347.27692	0.3
347.31403	3.4
364.32089	100.0
365.10202	2.4
365.22983	3.2
365.28677	0.4
365.32452	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	364.3207
Annotation	Terminaline
Peak:m/z	Relative Intensity
55.01848	0.4
55.05507	3.2
56.05038	1.1
57.03218	0.3
57.03436	3.9
58.06334	0.5
58.06599	6.8
58.92267	0.4
59.04985	0.4
65.03914	0.5
67.05500	7.6
69.07067	3.8
70.06593	2.5
71.04977	0.5
71.07368	0.7
71.46783	0.5
72.08153	28.7
73.08461	0.5
79.05482	2.0
81.07054	8.5
82.06592	0.6
83.08616	2.3
84.08150	4.2
85.06541	0.8
85.08909	3.1
86.09701	2.2
91.05478	35.4
92.05807	1.2
93.07045	1.4
95.04971	2.4
95.08599	6.4
96.08117	1.1
97.06481	0.7
97.10165	1.6
98.06039	0.7
98.09692	10.2
100.07603	0.6
102.09156	1.6
103.52584	0.4
105.07024	4.2
107.08584	0.6
109.06494	0.5
109.10155	3.6
110.09663	0.9
111.44334	0.4
112.11222	1.3
112.12004	0.4
117.07023	5.7
119.08580	0.9
126.01611	0.8
129.06993	0.9
131.08557	6.7
133.10141	0.8
142.12268	1.0
143.08574	0.9
145.10103	0.8
147.11662	0.5
147.22929	0.4
148.45988	0.4
157.10147	0.5
171.11732	0.6
205.28348	0.4
246.06839	0.7
247.07489	1.1
248.08292	0.4
255.08989	0.6
261.14606	0.6
275.06924	1.1
276.07748	0.6
291.10135	0.6
291.19513	0.9
303.06329	0.6
321.11224	2.0
328.26358	0.7
328.29895	10.4
329.30334	0.7
335.08838	0.9
346.27258	5.0
346.31024	36.8
347.27606	0.7
347.31357	3.2
364.28537	6.0
364.32104	100.0
365.10199	8.9
365.16769	0.5
365.18246	0.7
365.22989	9.9
365.28015	1.0
365.32504	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	365.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20702	1.3
70.06568	1.4
70.89482	1.5
84.27843	1.4
110.80505	1.5
185.04222	8.9
203.05249	12.5
210.71121	1.4
247.07629	1.9
260.08179	2.4
263.10513	1.4
275.07202	2.0
289.08621	2.1
291.07089	1.5
291.10196	3.5
303.06427	2.6
321.11172	4.2
335.08972	3.8
358.69385	1.3
365.12085	100.0
366.11978	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	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83580	0.6
70.06610	0.7
70.51687	1.1
71.18108	0.6
74.33567	0.5
86.73009	0.6
120.08105	1.0
135.08482	0.7
156.43886	0.6
158.72922	0.6
158.99608	0.7
162.07234	0.7
185.04213	48.3
186.04510	0.7
203.03156	12.3
276.55240	0.7
326.06213	0.7
365.08411	100.0
366.08810	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	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74244	0.8
56.05020	0.8
63.22408	0.8
69.71057	2.2
69.71404	1.3
70.06574	3.0
71.04966	0.8
72.08150	4.6
79.05498	0.7
83.04991	1.1
84.04488	1.4
84.08121	2.4
86.09686	3.7
88.03970	1.7
93.07050	1.2
93.22186	0.8
97.06536	1.0
98.22745	1.7
113.05981	1.4
116.07052	1.3
120.08115	10.7
125.09622	1.3
129.10236	1.3
167.10689	1.7
176.10760	1.3
180.06848	1.1
180.85049	0.9
185.04211	47.7
185.11705	1.9
186.04520	1.5
203.03149	100.0
203.12720	1.2
204.03448	2.9
204.10135	1.0
215.73218	0.8
219.14868	2.3
221.02910	1.4
228.61238	1.1
239.03923	0.9
245.02654	0.8
260.08432	0.8
291.10306	0.9
304.06851	0.9
315.62451	0.8
321.11234	1.2
323.83463	0.9
335.08975	1.3
364.22250	1.2
365.08359	85.9
365.17429	4.0
366.08832	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38708	0.5
66.81999	0.5
70.51444	0.7
70.51782	0.8
72.08145	1.3
74.47382	0.5
76.11494	0.5
83.06114	0.5
84.04508	0.9
84.08147	0.7
86.09688	0.9
104.05310	0.9
119.86254	0.5
120.08100	2.0
120.21737	0.6
142.08633	0.8
147.04407	0.8
166.08675	0.9
172.11537	0.6
185.04199	46.9
186.04564	1.0
187.10732	1.1
188.11147	0.7
190.64375	0.6
203.03131	10.2
203.75826	0.5
347.16898	0.8
359.61188	0.6
365.08395	100.0
366.08795	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44118	0.5
75.71481	0.5
137.05188	0.5
157.88622	0.5
185.04213	19.1
203.05261	44.5
204.05681	0.9
230.98149	0.5
239.01382	0.5
365.10641	100.0
366.11069	5.4
385.07205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.2
63.93781	0.6
69.98067	2.1
73.45441	0.6
80.91351	0.6
84.08119	1.0
98.22803	0.8
102.74815	0.6
183.96942	1.0
185.04210	20.2
185.05862	1.1
186.35559	0.7
203.05264	41.5
204.05560	1.0
235.99875	0.8
246.06966	0.9
276.07858	0.9
289.08539	0.8
291.09967	0.6
303.06363	0.9
321.11063	1.9
335.09073	1.3
365.10474	100.0
366.06720	0.8
366.10889	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79303	2.2
73.38744	0.5
84.29274	0.5
185.04210	2.8
202.06082	1.2
247.07448	0.8
263.10431	0.8
270.94620	0.6
275.07098	0.8
276.07639	0.6
303.06674	0.9
307.09729	0.6
321.11261	1.0
335.09134	0.8
365.12115	100.0
366.12534	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	365.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23341	0.4
70.70039	0.5
70.70396	0.4
106.59023	0.4
167.54414	0.4
168.37529	0.4
185.04211	2.0
202.06004	0.9
239.92761	0.4
289.01120	0.4
365.12048	100.0
366.12436	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	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97813	1.4
64.99368	1.1
65.07368	1.1
65.89950	1.3
87.23699	1.1
93.52821	1.1
103.24825	1.2
104.99228	1.9
115.49834	1.2
135.07053	1.3
185.04193	9.6
197.65712	1.2
203.03534	1.3
203.05255	17.0
203.08229	1.7
218.07074	1.5
219.07921	3.1
232.08591	2.0
246.06566	3.7
247.07491	5.8
248.08214	3.6
260.08011	3.5
261.08865	1.7
263.06924	1.6
263.10422	4.0
267.10739	1.4
271.86621	1.2
274.06076	1.2
275.07031	6.9
275.72372	1.2
276.07538	3.8
279.10089	1.9
282.97607	1.2
289.08517	6.0
291.09958	6.1
293.11676	1.3
303.06369	8.3
307.09573	2.1
321.11157	12.1
333.07242	1.8
335.08987	6.9
347.08810	1.8
358.27682	1.3
365.10303	100.0
366.10349	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	365.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38768	1.5
64.97799	2.6
71.46076	1.6
84.08118	3.1
103.80676	1.8
104.99266	2.6
105.96043	1.6
128.10709	2.0
131.13928	1.5
132.59991	1.8
185.04115	4.9
189.07063	2.0
203.05144	6.3
203.06779	2.4
203.08496	3.2
209.32802	1.6
218.07246	2.3
219.07884	5.5
220.08665	2.9
230.07272	2.0
232.08641	1.9
233.05948	2.3
246.06647	6.2
247.07492	8.9
248.08113	5.2
260.08252	3.5
261.09109	3.9
263.06815	3.4
263.10541	6.6
274.06085	2.3
275.07001	12.2
276.07602	6.8
277.08475	3.4
279.10052	2.5
289.08585	8.3
290.08923	2.3
291.09976	10.5
303.06500	14.3
307.09406	3.9
319.09424	3.5
321.11172	20.8
322.11368	3.5
333.07355	3.1
335.09152	10.3
347.09100	3.8
348.25198	10.7
364.24289	2.3
365.10748	100.0
365.25125	4.1
366.10818	7.7
366.22134	2.8
366.26373	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	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11408	4.2
52.00726	4.7
55.05517	10.2
57.07082	79.5
59.04981	6.2
62.29465	4.9
64.97845	8.7
67.05512	23.8
69.07071	37.7
71.44948	4.0
77.36028	4.6
79.05494	16.2
81.07075	28.7
83.04955	7.4
83.08627	13.9
85.06549	50.1
91.05481	7.8
93.07054	25.6
95.08640	24.2
97.06539	13.9
105.07028	12.8
107.08604	18.7
109.06544	26.9
109.10115	10.4
111.08068	7.2
119.08550	7.1
121.10137	14.2
123.08029	11.5
135.08078	25.3
135.11676	33.1
145.10121	9.1
151.07681	5.6
153.12700	15.0
165.12767	7.1
171.11775	5.3
176.58366	5.0
177.12776	14.7
195.13820	5.2
217.14403	16.7
247.07634	8.6
263.20044	47.5
275.07019	12.8
279.19470	6.3
289.08640	7.3
290.58215	5.4
291.10162	14.5
291.19397	7.0
303.06473	19.9
307.09897	6.9
321.11160	23.4
335.08984	12.1
347.25839	97.2
365.10248	100.0
365.17206	55.9
365.22958	22.1
365.27066	21.2
365.31805	7.8
366.10477	14.1
383.17264	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	365.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05509	9.6
56.05058	2.8
56.96551	6.0
57.03444	11.5
57.03666	2.1
58.06594	6.0
59.97265	2.7
64.53779	2.5
67.05500	25.2
69.07075	15.4
69.44804	9.0
69.52988	2.2
69.87167	2.2
70.06590	4.9
71.04980	7.9
71.08651	3.0
72.08152	13.4
79.05495	25.6
81.03444	3.3
81.07063	22.9
83.04939	3.5
83.08617	4.1
84.08143	9.8
85.06567	2.4
86.47862	2.1
91.05482	28.6
93.07059	26.1
94.46313	2.4
95.04983	7.5
95.08601	20.1
96.08928	2.1
97.06525	7.4
97.10167	3.5
98.09688	22.8
99.04456	2.5
99.08077	5.9
105.07015	14.7
107.04952	10.2
107.08585	12.7
109.06522	9.5
109.10161	7.7
117.07002	9.6
119.08577	13.6
121.06506	3.9
121.10151	7.6
123.08087	4.2
124.11263	2.9
125.09633	3.6
128.10713	6.0
129.06993	5.8
131.08575	18.7
133.06467	2.5
133.10120	9.4
134.57964	2.3
135.08052	6.3
135.11650	4.1
137.09550	3.0
142.12256	14.5
143.08585	9.2
144.10220	3.6
145.10127	8.4
145.73077	2.8
147.07997	2.8
147.11728	4.6
149.09654	3.1
157.10086	5.4
159.11726	4.0
161.09637	5.6
163.11157	2.6
171.11746	2.7
175.11191	2.9
183.38518	2.2
199.11171	3.3
202.27359	2.4
206.23756	2.2
209.91150	2.5
222.55664	2.5
232.08575	2.9
237.16431	2.4
245.19080	2.8
246.06911	5.6
247.07458	6.3
248.08192	4.3
253.11029	3.6
260.08328	3.5
261.08899	2.9
263.10733	4.4
267.09030	4.6
271.12289	3.2
273.18518	12.7
275.07022	9.0
276.07733	4.9
278.09277	2.1
285.10089	7.6
289.08508	7.4
291.10089	8.7
291.19571	5.1
303.06503	11.9
321.11270	11.0
335.09192	6.0
347.15265	3.3
347.22052	3.8
347.27484	11.4
348.24988	2.6
348.29004	38.5
364.28448	9.1
365.10297	71.0
365.16602	34.0
365.23550	10.1
365.28732	52.9
366.10513	7.0
366.30048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01868	4.2
55.05522	14.7
56.05015	3.6
56.96561	4.4
57.03438	16.8
58.06601	14.3
64.97809	3.9
66.16601	2.3
67.05507	38.9
69.03418	5.4
69.07065	20.0
69.80135	3.4
69.80475	8.4
70.06593	5.3
71.04990	4.9
72.04513	2.5
72.07786	2.8
72.08156	28.5
79.05501	25.4
81.03402	3.7
81.07063	33.2
83.04994	3.5
83.08614	5.1
84.08153	17.3
85.06527	6.1
88.07614	5.9
91.05480	31.5
92.05809	4.3
93.07044	23.8
95.04972	20.2
95.08617	21.9
97.06524	7.5
97.10181	3.6
98.09695	35.3
99.08109	3.1
102.09195	2.8
105.07014	14.9
107.04935	9.1
107.08606	14.8
109.06528	16.8
109.10152	8.1
110.09685	3.3
111.08092	5.9
113.06002	11.6
117.07024	11.9
118.07280	3.4
119.08572	16.1
120.62754	2.3
121.06544	6.0
121.10136	6.0
124.11224	3.2
125.09663	3.4
129.07071	3.6
131.08569	9.9
133.10143	9.6
133.94492	3.0
135.08031	7.9
135.11707	4.0
137.05928	3.0
137.09607	2.9
142.12260	16.4
143.08562	4.0
143.12610	3.5
145.10114	5.1
146.62560	2.8
147.11684	3.3
149.09534	4.0
156.13820	8.3
157.10165	3.4
159.11681	4.5
161.09546	3.0
169.48679	2.5
175.11220	3.9
217.15810	2.9
219.08015	4.3
223.13338	6.5
232.08960	2.9
246.06775	4.8
247.07468	7.5
248.08243	4.6
263.07144	3.4
263.10641	7.7
269.10663	13.1
273.18356	14.4
275.06995	8.5
276.07718	4.3
287.11661	6.1
289.08505	3.0
291.07129	3.2
291.10202	10.5
291.19608	30.4
303.06534	14.0
307.09494	3.7
319.09747	3.9
321.11179	19.9
329.26611	12.9
333.07574	3.2
335.09143	9.8
346.27518	5.2
347.27783	31.8
348.28949	35.5
364.28391	8.8
365.10223	85.1
365.18976	38.6
365.23297	18.6
365.28680	87.6
366.10550	8.2
366.30005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
55.05507	3.7
56.05058	0.8
57.03439	14.2
58.06607	3.9
65.03943	1.8
67.05504	18.7
69.03423	1.0
69.07064	3.1
69.29057	2.8
71.05000	2.1
72.08153	4.6
79.05497	10.6
81.03419	1.2
81.07056	10.5
82.00322	0.8
83.04995	1.7
83.08624	2.4
84.08154	3.0
85.02874	1.1
85.06544	11.7
85.08456	0.8
87.06859	1.0
91.05476	10.5
92.05830	1.0
93.07048	10.2
95.04973	22.8
95.08608	5.6
96.05312	1.0
97.06538	2.4
97.10174	1.0
98.06067	3.1
98.09682	4.4
99.04420	0.9
99.06396	1.2
100.07621	1.0
105.04580	0.7
105.07025	6.9
107.04939	3.7
107.08595	4.2
109.06522	19.3
109.10184	2.1
111.04449	1.8
113.06009	29.0
117.07016	6.2
118.07355	0.8
119.08565	4.1
121.06506	2.3
121.10139	2.1
123.08092	1.3
126.09174	1.4
129.07033	2.0
131.08568	6.0
132.08856	0.9
133.10155	3.0
134.85139	0.7
135.08052	12.9
135.11716	1.8
137.06015	0.9
137.09644	0.7
142.12283	1.6
143.08611	1.9
145.10124	4.5
147.08058	1.9
147.11792	0.9
149.09625	1.5
149.13199	1.0
156.13811	1.1
157.10143	2.6
159.11713	2.0
161.09628	2.8
163.11182	1.8
171.11705	1.0
173.13226	1.0
175.11130	1.1
177.12723	1.8
185.13394	0.7
199.14821	1.1
201.12732	1.2
202.10040	0.7
203.90068	0.8
205.08340	5.9
217.15912	4.7
219.08113	1.0
227.17908	1.1
233.15228	0.8
245.19060	1.4
247.07610	0.9
248.08531	0.9
255.17508	1.3
260.08221	0.8
273.18497	11.6
275.07101	1.5
289.08731	1.1
291.10172	1.4
291.19577	16.1
292.19940	1.5
303.06601	2.7
307.09665	0.9
321.11212	3.2
329.26862	3.5
335.09116	1.9
346.27313	4.2
347.09164	0.7
347.22949	1.4
347.27713	20.3
348.28888	7.0
364.28430	1.9
365.10263	16.4
365.19296	6.3
365.23047	100.0
365.28503	7.1
366.10727	1.5
366.23349	7.5
366.30038	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	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28779	0.6
57.03426	0.9
58.06599	1.1
67.05503	1.7
70.73850	0.7
70.74174	0.8
72.08158	1.3
79.05502	1.8
81.07054	2.2
84.08135	1.1
91.05486	2.3
93.07083	1.2
95.04961	1.0
95.08641	0.6
98.06080	0.7
98.09698	1.3
105.07036	0.8
107.08633	0.8
109.06532	1.3
117.06981	1.0
131.08572	1.0
142.12231	0.7
144.73186	0.5
145.24696	0.5
195.09998	0.9
212.78499	0.6
273.18652	0.8
289.08725	0.9
291.09967	0.7
291.19638	0.9
303.06500	0.8
321.11349	1.6
329.26553	1.0
335.21860	0.7
347.27753	4.7
348.28790	1.8
365.10394	6.3
365.22980	100.0
366.23361	6.1
366.29880	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39204	0.8
53.03941	1.7
55.01876	8.0
55.05507	10.3
56.05029	1.2
56.96563	0.9
57.03439	43.9
57.07076	2.3
58.06602	13.3
59.05000	1.5
59.06936	1.4
65.03940	3.5
67.05506	50.8
69.03432	3.7
69.07076	13.7
69.50098	3.5
70.06591	1.2
71.04987	5.0
72.08154	8.8
77.03923	1.0
79.05493	24.3
81.03408	2.8
81.07054	23.9
82.06569	0.9
82.07325	0.9
83.04974	4.0
83.08613	3.7
84.08134	3.8
85.06545	34.2
91.05484	26.9
91.06059	1.5
92.05809	2.6
93.07053	25.8
94.07378	1.0
95.04970	57.1
95.08611	15.6
96.05307	1.6
97.06564	4.5
97.10162	3.4
98.06045	2.2
98.09696	11.4
99.08109	1.9
105.04533	1.3
105.07040	16.6
107.04945	8.1
107.08598	13.7
109.06517	50.3
109.10149	5.5
110.06839	1.7
110.10493	1.0
111.04408	1.1
111.08086	3.9
113.06007	100.0
115.05416	1.3
116.06222	0.9
117.07017	9.8
119.08582	11.4
121.06521	4.7
121.10170	6.2
123.08039	4.2
123.11674	1.1
125.09646	1.2
128.06203	1.7
128.10721	1.1
129.07022	4.8
131.08571	16.3
132.08932	2.4
133.06509	1.2
133.10127	6.9
135.08061	29.9
135.11684	6.0
136.08412	1.0
137.05980	1.7
137.09608	2.0
141.06985	1.6
141.09094	1.0
142.07814	1.0
142.12253	4.0
143.08548	7.0
145.06442	1.3
145.10126	8.4
147.08054	3.6
147.11702	3.5
149.09644	5.2
149.13292	2.5
151.11252	1.4
156.13844	4.2
157.10118	5.7
158.11624	0.9
159.08099	1.5
159.11743	4.0
161.09619	6.1
161.13278	1.5
163.11227	2.6
165.09172	1.6
171.11681	3.5
173.13268	3.8
175.11211	2.4
177.12759	2.9
181.10170	1.0
183.11725	1.7
185.13211	1.3
187.11172	1.0
187.14839	1.1
189.11206	1.1
195.13742	1.0
199.11165	1.5
199.14839	3.2
201.12755	1.8
202.07683	1.1
208.12428	0.9
217.06346	0.9
217.15897	11.6
219.08112	1.4
219.13812	1.9
223.13330	3.9
227.18117	0.9
233.15274	2.1
237.16393	1.1
245.19054	2.9
246.06680	0.9
247.07594	2.0
248.08250	1.8
255.17419	2.1
260.08386	1.2
263.10739	1.9
269.10712	1.2
273.18506	23.5
274.18777	1.5
275.07068	2.9
276.07797	1.6
289.08594	1.3
291.10205	3.4
291.19550	44.7
292.19882	2.8
303.06601	4.7
307.09760	1.1
321.11227	6.2
329.26669	3.0
330.27878	1.0
335.09198	2.7
346.27396	1.8
347.22037	1.5
347.27750	11.7
348.28925	11.2
364.28387	3.6
365.10263	22.6
365.18982	5.6
365.23141	35.3
365.28735	33.3
366.10474	2.8
366.23257	2.0
366.30026	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01878	7.8
55.05259	2.0
55.05512	34.3
56.05046	1.8
57.03439	20.1
57.07058	1.4
57.16911	1.0
58.03761	2.2
58.06593	1.4
59.03866	1.6
59.04983	2.1
62.40349	1.1
65.03939	2.3
67.05158	2.2
67.05505	39.6
68.05836	1.8
69.03432	14.2
69.07068	62.3
69.50544	3.2
70.06593	3.5
70.07390	1.4
71.05003	2.6
72.08160	12.5
73.08503	2.3
79.05491	31.6
81.03414	7.1
81.07056	36.4
82.07389	3.1
83.04988	7.5
83.08623	12.6
84.08126	2.8
85.06537	3.4
87.04491	1.1
91.05482	40.1
92.05823	10.9
93.06133	2.5
93.07044	24.7
94.07360	1.5
95.01345	1.5
95.04968	12.5
95.08612	18.9
96.08947	2.9
97.02902	14.4
97.06551	9.5
97.10172	20.7
98.09695	11.0
99.08074	1.9
99.10017	5.6
100.10275	1.6
102.09178	1.1
103.05475	1.4
105.07026	19.7
107.04964	8.9
107.08594	17.6
109.02836	1.3
109.06506	7.6
109.10145	16.5
111.08060	3.0
113.09707	1.6
115.05458	1.8
117.07015	13.3
118.07368	4.7
119.07735	1.8
119.08566	14.7
121.06519	3.1
121.10143	7.4
123.08067	3.8
125.05986	1.3
125.09641	17.1
127.07563	1.4
128.06235	1.2
129.07010	4.0
131.07768	1.6
131.08588	13.6
132.08905	6.9
133.06567	2.2
133.09267	2.7
133.10161	8.4
135.08041	6.7
135.11699	3.1
137.09592	2.1
142.07753	1.1
142.12302	3.8
143.08554	4.2
143.12630	2.2
144.12999	1.4
145.10083	5.6
147.08031	5.7
147.11719	3.0
149.09612	3.8
149.13269	4.0
151.11243	3.2
153.09122	3.5
153.12805	1.3
155.08672	1.5
157.10133	5.1
159.11691	3.8
161.09647	3.8
161.13237	1.8
162.10286	1.5
163.11212	3.9
165.09103	3.5
169.10075	1.5
171.11617	2.2
175.11227	2.6
177.12785	1.8
179.10715	1.3
185.13281	1.4
189.11238	10.6
189.12657	2.0
195.11755	1.4
195.13808	2.5
205.12282	2.0
217.15880	1.8
219.08098	2.0
223.13283	22.8
227.12862	2.1
245.19080	2.4
246.06763	1.5
247.07593	3.4
248.08237	1.7
249.14793	1.9
253.14372	2.1
255.17535	2.4
260.08261	1.3
261.09091	1.2
263.10620	2.2
263.20065	2.2
273.18454	21.6
275.06952	2.6
276.07886	1.9
289.08682	2.5
291.10144	4.1
291.19553	100.0
292.19873	5.8
302.29510	1.5
303.06573	5.0
307.09805	2.7
321.11200	7.9
323.99384	1.1
328.29993	1.9
329.30148	1.8
335.09174	3.5
346.30603	5.6
347.22092	2.8
347.31232	6.8
348.29233	1.6
361.55652	1.2
364.31219	45.8
365.10333	28.8
365.23145	95.1
365.31787	47.6
366.10822	2.2
366.23434	7.5
366.29755	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	365.231
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.01863	2.4
55.05516	7.1
57.03435	6.6
57.07071	1.1
58.03758	0.9
58.06601	1.8
64.97800	1.4
65.03960	1.0
67.05505	11.0
68.05838	1.3
69.03427	1.0
69.07066	13.5
70.06580	2.0
70.07410	1.2
72.08143	4.8
73.08474	1.5
79.05490	9.7
81.03421	1.1
81.07053	11.5
82.07393	1.7
83.04987	1.0
83.08636	2.3
91.05475	14.4
92.05801	4.1
93.07050	6.1
95.04960	2.8
95.08602	5.5
96.08946	0.8
97.02886	1.7
97.06516	2.3
97.10169	2.7
98.09148	0.7
98.09705	5.8
98.10286	0.9
99.10033	3.2
104.99274	1.0
105.07017	5.5
107.04939	2.4
107.08591	4.8
109.06533	1.8
109.10140	3.0
115.05447	0.9
117.07023	5.2
118.07365	2.6
119.07803	0.9
119.08558	4.0
121.06451	1.2
121.10127	2.3
123.08072	1.6
125.09615	2.1
129.06989	1.3
129.90990	0.8
131.08583	5.4
132.08891	3.5
133.09245	1.3
133.10138	1.5
135.08064	1.5
135.11649	0.8
137.09593	0.8
143.08614	2.3
143.12604	1.5
145.10121	1.6
146.20769	0.8
147.08067	2.2
147.11755	1.1
149.09647	1.1
157.10164	0.8
159.11696	1.1
161.09645	2.1
179.10518	1.0
189.11255	1.5
219.08003	1.3
223.13332	3.8
247.07434	1.9
248.08414	1.2
260.08249	1.9
263.10776	1.0
273.18472	7.4
274.06158	0.9
275.06995	2.7
289.08615	2.2
291.10272	2.4
291.19550	17.9
292.20334	1.1
303.06451	2.6
304.07059	1.0
319.09637	1.2
321.11252	5.3
329.30441	1.3
335.09058	1.5
346.30576	3.9
347.22003	1.3
347.31039	3.2
364.31201	28.5
365.10287	18.6
365.23013	100.0
365.31607	27.5
366.10956	1.1
366.23288	5.7
366.29794	1.7
366.33841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
54.03462	1.1
55.01872	8.1
55.05254	2.0
55.05511	29.5
57.03436	15.5
59.05009	1.7
64.97826	1.3
65.03938	1.1
67.05159	2.1
67.05505	34.5
68.05835	1.4
69.03426	15.1
69.04500	0.9
69.07069	42.4
70.06603	1.1
70.16024	2.7
71.05028	1.2
72.08156	3.7
78.01300	1.0
79.05493	28.5
81.03432	6.2
81.07056	25.6
82.07382	2.3
83.04971	6.0
83.08623	11.4
85.06529	1.7
89.88741	1.0
91.05489	20.2
92.05820	3.8
93.07044	20.9
95.04961	9.0
95.08611	15.3
97.02895	15.9
97.06540	4.0
97.10170	18.7
98.09690	4.8
99.10000	2.5
104.99268	1.1
105.04495	1.1
105.07029	11.7
107.04970	6.1
107.08583	16.9
109.06523	4.4
109.10155	10.0
111.08079	2.2
117.07025	8.8
118.07326	2.6
119.08582	11.3
121.06503	2.6
121.10139	6.1
123.08063	4.1
125.09620	14.6
129.06950	2.1
131.08562	7.9
132.08905	3.5
133.06499	2.4
133.10147	4.8
135.08047	4.9
135.11667	2.4
137.09612	4.3
142.12263	1.4
143.08557	3.1
143.12598	1.3
145.06461	1.1
145.10130	5.3
147.08008	5.5
147.11719	2.8
149.09633	1.8
149.13261	2.2
151.11182	2.1
151.13005	1.1
153.09160	1.4
157.10205	1.8
159.11673	3.0
161.09648	3.2
163.11237	1.2
165.09117	3.0
171.11641	1.5
173.11803	1.3
175.11121	1.5
177.12778	1.8
187.11206	1.2
189.09731	1.1
189.11162	7.4
195.13782	2.3
205.12254	2.8
218.07277	1.6
223.13275	31.8
227.12950	1.4
245.19012	1.9
246.06836	3.0
247.07481	2.2
248.08243	2.3
252.93925	1.0
255.17442	1.2
255.28893	1.1
260.08377	2.7
263.10681	1.5
263.19907	1.4
273.18454	14.7
273.21283	1.4
275.07025	4.5
276.07803	2.6
277.08536	1.2
279.15933	1.3
283.21048	1.0
289.08636	3.2
291.10245	3.5
291.19531	100.0
292.19809	5.3
303.06525	4.7
306.46149	1.0
321.11203	5.4
325.31476	1.2
335.09241	2.5
346.30121	2.9
347.09164	1.5
347.22119	2.2
364.31131	23.5
365.10260	33.6
365.23184	61.4
365.31503	18.2
366.10492	3.6
366.23517	4.3
366.30081	1.9
377.27591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01879	9.5
55.05515	30.9
57.03441	14.7
57.07067	1.8
58.03776	1.4
61.27029	1.4
64.97824	1.4
65.03933	2.4
67.05159	2.4
67.05504	44.1
68.05833	2.0
69.03440	11.7
69.06710	2.6
69.07069	42.9
69.55929	3.0
69.56315	4.5
71.04999	2.3
72.08150	1.7
79.05496	37.6
80.20294	1.3
81.03413	5.9
81.07054	37.5
82.07410	1.9
83.04987	7.9
83.08625	11.1
83.67445	1.3
84.04248	4.9
85.06556	3.0
91.05480	35.9
92.05798	4.0
93.07050	26.6
95.04966	12.8
95.08598	18.4
97.02900	15.1
97.06524	4.8
97.10166	13.7
98.09698	3.5
98.22676	2.7
99.08069	1.6
105.04496	1.9
105.07026	25.3
107.04955	9.9
107.08584	22.5
109.06512	5.7
109.10168	17.1
111.08058	4.0
115.05457	2.4
117.07041	9.2
119.04910	1.7
119.08578	15.8
121.06485	5.2
121.10153	7.4
123.08049	5.8
123.11708	2.4
125.09637	11.5
129.06992	4.7
131.06187	1.3
131.08568	11.6
132.08893	2.6
133.06487	5.0
133.10112	18.5
135.08060	8.9
135.11662	4.4
137.09601	4.4
137.13239	1.5
142.12225	1.5
143.08543	5.0
145.10139	9.6
147.08051	6.8
147.11707	3.9
149.09624	6.7
149.13263	3.9
151.11160	7.5
153.09067	1.4
157.10147	4.7
159.08105	2.8
159.11693	2.9
161.09625	5.8
163.11215	2.9
165.09097	3.2
165.12859	1.4
169.10146	1.8
169.12242	2.8
171.11647	2.5
175.11177	3.2
175.14754	1.8
177.09119	3.2
177.12688	3.3
189.11267	7.4
202.07729	1.5
205.12154	2.5
223.13269	31.8
227.12724	3.1
227.17903	1.8
235.20355	2.3
245.18947	4.3
246.06757	2.9
247.07629	3.7
248.08165	2.5
249.14725	1.8
253.14444	4.4
255.17505	2.4
260.08307	3.9
263.10599	2.4
263.20175	4.2
269.13904	1.7
273.18497	21.9
275.07086	3.7
276.07748	2.1
289.08490	3.5
291.10257	3.2
291.19540	100.0
292.19778	6.7
303.06589	6.8
304.06772	1.9
319.09378	1.5
321.11328	7.7
322.11377	1.6
333.07697	1.9
335.09134	6.1
347.22134	3.3
347.25867	3.4
364.31244	16.7
365.10242	40.8
365.23135	75.8
365.26886	7.1
365.31610	17.6
366.10678	4.0
366.23483	4.7
366.29950	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94193	3.2
55.05509	11.9
57.07082	3.6
59.80756	3.0
67.05514	16.5
69.07072	9.7
69.13879	17.3
79.05499	15.7
80.75753	3.4
81.07053	17.8
83.08622	5.4
91.05476	21.9
93.07047	18.1
95.04961	15.4
95.08608	13.8
97.06516	4.8
104.99286	3.7
105.04556	3.4
105.07050	33.0
106.07306	3.2
107.08564	18.1
109.06503	5.5
109.10152	7.8
111.08070	3.7
117.07027	7.4
119.08578	21.0
119.51971	3.2
121.10146	18.0
123.08094	5.8
125.29764	3.7
128.06227	5.5
128.10741	8.9
129.07016	9.5
131.08595	16.0
133.08554	3.3
133.10172	8.9
135.08031	8.2
135.11740	4.2
142.07803	8.1
143.08601	11.1
145.10124	15.5
147.08018	4.0
147.11659	4.0
149.09622	7.9
154.07645	4.5
155.08511	7.6
156.09299	4.9
157.10132	11.4
158.70232	3.0
159.11723	6.6
161.09619	5.7
161.13255	4.1
167.08566	4.8
168.09348	3.5
169.10139	6.7
171.11708	6.0
173.09569	4.9
173.13190	16.2
175.11166	5.6
179.08688	5.3
181.10149	10.0
183.11737	10.7
185.09576	5.1
187.11180	4.1
191.14261	7.7
193.10149	6.6
194.10963	5.7
195.11722	7.5
197.09705	3.1
197.13248	8.5
199.14879	5.1
201.12679	5.7
207.11711	10.5
209.13258	8.1
211.14842	5.3
213.32974	3.7
216.15002	4.1
217.10188	4.0
219.11652	5.5
221.13280	6.8
223.14848	5.3
230.07426	4.1
235.14680	4.1
237.16504	5.2
239.14322	4.5
246.13943	3.4
247.07651	9.0
249.16353	6.9
251.17940	4.1
263.10623	6.3
265.15836	3.7
273.18845	3.7
274.06119	3.5
275.07025	17.9
276.07751	5.9
282.19730	4.5
289.08698	9.0
291.10190	9.2
303.06552	13.9
307.09647	4.2
321.11212	18.3
335.09109	8.9
347.09018	5.4
347.26077	6.4
365.10193	100.0
365.24649	27.2
365.32233	5.2
366.10532	9.7
366.33673	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.3
57.07072	5.9
59.04983	2.4
60.23794	2.6
64.97820	3.7
67.05502	24.5
69.03448	8.5
69.07066	11.9
71.05005	3.0
79.05516	20.2
81.07053	23.0
83.04995	4.9
83.08640	8.2
85.06541	6.8
91.05476	31.0
93.07051	32.9
95.04971	53.8
95.05521	3.9
95.08598	22.3
97.06519	4.9
98.23502	6.1
98.97614	2.6
105.07035	47.1
107.08582	27.4
109.06540	7.6
109.10159	17.7
115.05481	4.7
115.86242	2.0
117.07027	12.3
119.08588	45.2
121.06512	5.9
121.10146	30.1
121.10870	2.9
123.08130	3.4
123.11740	5.0
125.09689	2.4
128.06268	7.1
129.07002	13.8
130.07750	6.0
131.08556	23.2
133.10124	20.2
135.08099	9.3
135.11693	5.4
137.09668	2.7
141.07065	4.5
142.07741	13.9
143.08556	30.6
143.09439	2.7
144.09413	7.3
145.10138	30.0
147.08046	26.0
147.09010	2.9
147.11728	7.0
149.09668	8.8
153.07004	4.0
155.08525	14.6
156.09331	14.4
157.10130	35.1
158.07275	2.9
158.10922	5.9
159.08145	4.8
159.11737	21.0
160.12271	2.7
160.15004	2.5
161.09692	7.2
165.07086	6.5
166.07811	4.9
167.08607	10.0
167.10730	4.7
167.53271	2.4
168.09419	6.8
169.10133	24.1
169.11488	3.1
170.10956	5.1
171.11688	22.2
172.12347	2.6
173.09660	5.7
173.13252	19.7
175.11131	2.9
175.14844	2.6
177.12752	2.9
179.08649	9.6
180.09360	7.8
181.10117	19.3
182.10977	10.7
183.11711	21.6
184.12457	4.9
185.09698	5.7
185.13213	11.7
187.14848	2.6
192.09413	7.1
193.10121	17.9
194.11003	11.0
195.08075	2.8
195.11693	25.5
196.12492	6.9
197.13255	15.1
198.14044	3.9
199.11194	5.7
199.14928	8.7
201.12849	7.6
205.10202	2.9
206.10951	12.8
207.11668	24.4
208.12602	8.5
209.09645	2.6
209.13295	23.0
210.14032	3.3
211.14925	7.7
212.15378	2.5
213.12836	3.3
217.10190	3.4
217.15933	4.8
218.10950	3.9
219.08192	4.0
219.11839	6.9
220.12610	7.2
221.13318	16.9
222.14020	5.0
223.14836	15.9
224.15567	4.4
225.12866	10.3
225.16396	4.8
227.14415	4.2
231.11827	5.9
232.12553	3.9
233.13348	9.4
234.14084	5.2
235.14769	12.2
237.16536	8.2
239.14334	4.4
239.17870	4.1
243.11731	3.4
244.12575	2.9
245.13332	5.6
246.06757	5.5
247.07643	6.3
247.14966	9.0
248.08281	2.9
248.15710	3.9
249.16362	16.7
251.14426	3.5
251.17966	5.6
253.15959	4.9
255.17389	3.7
258.14178	4.0
259.14883	4.3
260.08463	3.9
261.16312	3.0
263.10794	4.0
263.14444	2.7
263.18069	10.8
264.18869	2.9
265.16016	8.4
265.19431	3.5
267.17624	7.0
269.19043	4.8
273.16495	9.3
275.07053	4.2
276.07974	3.2
277.16064	3.6
281.19186	9.4
289.08755	4.1
289.19495	4.2
291.10403	8.4
291.17221	12.6
297.18588	3.4
303.06656	8.1
307.09671	3.5
309.18759	5.5
321.11145	13.7
329.22791	4.7
333.20593	9.4
335.09372	8.6
337.25409	7.4
347.23627	39.5
348.24237	5.0
365.10226	73.1
365.17560	6.4
365.24829	100.0
366.10620	5.7
366.25339	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51049	3.2
55.05514	10.7
57.07091	7.9
58.31332	2.7
59.04995	5.4
67.04497	3.1
67.05502	23.8
69.03442	6.3
69.07063	14.0
69.21468	17.6
79.05502	26.9
80.06241	3.0
81.07063	22.4
83.04972	7.2
83.08620	6.5
84.34629	3.2
85.06593	5.5
91.05476	30.5
93.07043	38.2
95.04961	37.0
95.08606	18.4
97.06542	9.5
105.04427	3.6
105.07024	56.7
107.08601	23.2
109.06519	10.2
109.10165	16.0
115.05453	5.0
116.27769	2.9
117.07024	11.1
119.08563	37.7
121.06481	3.7
121.10132	29.9
123.08079	7.6
123.11739	3.6
125.09640	3.5
128.00246	2.9
128.06268	5.2
129.07001	15.8
131.08553	28.0
133.06485	3.6
133.10126	24.7
135.08055	13.8
135.11713	4.9
141.06990	5.1
142.07736	14.9
143.08559	30.9
144.09328	8.1
145.06499	5.0
145.10123	41.9
147.08130	5.0
147.11676	16.0
149.09637	11.4
149.13301	5.3
155.08560	13.3
156.09351	13.7
157.10143	35.5
158.10977	7.8
159.08067	3.9
159.11636	20.9
159.68700	3.9
161.09647	10.2
161.13214	6.2
162.47340	4.0
165.07074	5.9
167.08577	6.0
168.09326	6.5
169.10121	19.7
170.10934	6.4
171.11703	18.9
172.12367	3.9
173.09720	5.0
173.13217	39.3
175.11189	4.8
179.08577	7.6
180.09381	7.5
181.10101	13.8
182.10846	3.8
183.11684	31.6
184.12411	5.5
185.13284	11.7
187.11171	6.6
189.12697	5.6
191.14336	21.3
192.09364	5.2
193.10150	11.6
194.10939	6.2
195.11713	21.4
196.12424	6.3
196.87871	3.3
197.13210	19.1
198.14098	5.1
199.11159	5.7
199.14848	7.8
201.12775	11.4
203.14293	4.5
206.10924	7.9
207.11763	15.9
208.12468	10.9
209.13266	17.6
211.11270	4.0
211.14899	12.7
213.12854	6.4
216.15028	5.2
219.08102	4.0
219.11613	8.0
220.12517	4.5
221.13235	14.7
222.13985	5.2
223.14842	11.0
225.12801	7.1
225.16339	6.8
227.14386	3.6
233.13309	10.0
234.14026	5.1
235.14905	7.1
237.16385	8.1
239.14182	5.1
240.12561	3.3
241.15845	3.1
243.11731	4.8
244.12514	3.7
247.07498	8.2
247.14844	5.8
248.08290	5.4
249.16402	12.2
251.17848	4.2
253.15828	6.6
255.17542	3.8
260.08322	5.6
263.10715	6.9
263.17993	10.7
265.15909	4.3
265.19409	4.1
267.17496	8.4
269.18924	5.1
275.07092	12.0
276.07816	5.5
277.16071	3.9
279.17270	3.3
281.18961	7.2
289.08591	4.1
291.10040	7.9
291.17337	6.7
297.18481	5.2
303.06674	9.6
317.18857	4.0
321.11316	16.6
329.22601	5.3
335.09048	6.0
347.23431	23.3
348.24353	4.2
361.87155	3.5
365.10144	61.2
365.24707	100.0
365.31812	5.1
366.10669	7.6
366.25241	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05518	2.9
57.07073	16.6
63.55957	0.6
67.05507	2.9
69.07067	3.7
69.18974	3.7
71.08620	1.5
79.05482	2.2
81.07049	3.7
83.05004	0.6
83.08602	0.8
85.06534	9.7
91.05482	1.2
93.07043	3.3
95.08588	3.7
97.06478	1.0
104.50880	0.5
105.07017	2.3
107.08601	3.9
109.06496	5.4
109.10147	1.4
111.04451	1.1
111.08081	1.0
119.08586	1.9
121.10172	1.2
123.08065	4.6
125.05993	1.9
131.08522	0.7
133.10092	1.1
135.08046	4.2
135.11679	2.0
137.05972	1.1
138.52557	0.7
151.07510	3.5
152.08319	1.7
153.12766	1.1
156.30835	0.6
159.11902	0.6
161.13101	0.9
165.09108	10.5
166.09917	0.9
172.65721	0.6
177.12735	1.1
179.10666	1.7
179.14291	1.0
186.93279	0.7
193.12215	0.8
195.13852	1.7
208.14471	1.0
219.08043	1.3
221.15375	2.2
246.06689	1.0
247.07533	0.8
249.18504	0.8
263.10773	0.8
263.20068	11.0
275.07080	0.9
276.07965	0.8
279.19437	0.8
289.08597	1.1
290.21289	0.6
291.10226	1.7
291.19647	0.9
303.06339	2.0
305.24664	4.5
306.25015	0.7
307.09598	0.8
319.26294	4.8
321.11096	3.0
335.09140	1.4
337.27451	0.7
337.44879	0.6
347.25790	54.1
348.26019	4.0
365.10229	11.1
365.26852	100.0
366.27261	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01873	0.3
55.05510	1.5
57.07077	14.5
59.05011	0.4
59.89676	0.3
66.10370	0.2
67.05505	2.0
69.07066	1.4
69.28333	1.5
71.08633	0.6
79.05497	1.5
79.05876	0.3
81.07054	2.6
83.04987	0.3
83.08618	0.8
85.06544	9.3
85.07060	0.5
91.05492	1.2
93.07051	2.0
95.04981	0.9
95.08609	2.6
95.64175	0.2
97.06537	0.8
97.10193	0.3
98.98489	0.7
105.07032	1.2
107.08592	2.1
109.06519	3.7
109.10164	1.2
109.17683	0.3
111.08077	0.5
119.08584	1.5
120.82728	0.2
121.10141	1.0
122.83698	0.3
123.08066	4.1
124.08852	1.3
125.05996	0.4
125.52679	0.2
131.08574	0.5
133.10146	0.8
135.08055	3.3
135.11766	0.6
137.05966	0.7
137.09602	0.5
139.07471	0.4
142.07744	0.3
143.08536	0.4
145.10141	1.0
147.11641	0.4
149.09631	0.4
151.07547	4.0
151.11133	0.3
152.08325	6.1
155.01070	1.1
155.08533	0.2
156.09308	0.4
157.10153	0.8
159.07999	0.3
159.11700	0.7
161.09657	0.5
161.13289	0.4
162.22388	0.2
163.11118	0.3
165.09117	8.2
165.12762	0.5
166.09840	0.6
168.09377	0.2
169.10097	0.3
171.11598	0.3
175.11281	0.3
177.09102	0.4
177.12791	0.9
179.10645	1.5
179.14424	0.4
181.12259	0.5
183.11656	0.4
185.13298	1.1
189.12892	0.3
191.14226	0.4
194.13023	3.6
195.13783	0.5
197.13336	0.6
207.12041	0.3
207.13739	1.2
209.13246	0.3
219.08067	0.3
221.13237	0.6
221.15408	0.4
223.14874	0.3
231.77823	0.2
233.15329	0.2
235.16925	0.6
237.16351	0.3
246.06702	0.3
247.07608	0.3
249.16304	0.3
249.18571	0.7
263.20078	9.4
264.20386	0.7
267.69812	0.3
275.07089	0.4
277.21667	0.3
279.19595	0.6
291.09955	0.3
291.23016	0.3
303.06757	0.3
319.26385	1.3
321.11298	1.0
329.24710	0.4
337.27490	0.7
347.25851	22.6
348.26233	1.9
365.10284	2.5
365.26886	100.0
366.10577	0.3
366.27267	8.3
366.33838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
52.97499	1.0
53.03951	1.2
55.01875	3.4
55.05257	1.5
55.05513	21.1
57.03439	6.2
57.07079	14.8
59.04997	1.9
62.26667	1.0
64.24827	1.0
67.05508	24.6
69.03445	1.9
69.07069	77.0
69.19387	5.7
69.97219	1.0
70.07388	1.6
71.04996	7.4
71.08633	3.6
73.06569	2.9
77.03947	1.1
79.05499	19.5
81.07056	30.2
83.04971	8.0
83.08625	20.3
85.06535	8.5
87.04496	1.1
91.05480	10.0
93.07049	35.3
95.04965	3.4
95.08605	29.0
95.09212	1.5
97.06532	28.6
98.90582	1.1
101.06022	4.1
105.07047	5.7
107.08594	30.5
109.06527	14.7
109.10143	9.9
111.08086	10.5
111.11731	6.9
115.07552	2.0
117.07001	1.7
119.08604	6.5
121.10146	7.0
123.08052	7.6
123.11710	2.5
128.06163	1.2
131.08572	1.4
133.10143	3.4
135.08066	32.6
135.11693	55.5
136.12012	1.5
137.09595	1.7
137.13269	2.6
143.08521	2.1
145.10120	4.7
147.11710	3.2
149.09615	1.9
149.13297	1.5
151.07570	4.0
153.12741	33.1
157.10130	1.4
159.11649	1.1
161.09721	1.4
163.11191	4.5
164.26614	1.2
165.12759	23.8
166.13144	1.0
167.14270	5.8
173.38100	1.1
177.12733	22.8
179.14331	4.8
181.12227	3.5
183.11934	1.2
183.13828	2.4
191.14403	1.5
193.12317	3.7
199.13310	2.5
201.14832	2.2
203.08731	1.1
217.14351	35.9
218.14717	1.7
263.10605	1.5
263.20093	5.7
275.06995	1.1
276.07758	1.2
289.08487	1.1
303.06509	1.7
319.26447	1.5
321.11255	2.6
322.11673	1.1
329.24771	1.8
335.09143	1.2
337.27228	2.2
347.25815	100.0
348.26126	8.6
365.10025	9.4
365.14191	2.3
365.27005	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.8
56.96567	28.0
57.58575	0.8
60.04534	1.2
69.92655	2.4
70.06591	6.9
71.86971	0.6
72.08151	1.0
74.02446	1.2
84.08154	6.0
84.96031	9.2
86.06036	0.9
86.09709	4.1
95.06084	0.9
97.96805	0.8
98.22704	0.9
98.97585	100.0
99.97889	1.5
100.26903	0.7
102.03726	1.3
110.07167	10.4
110.97573	84.5
111.97902	1.0
112.99142	5.6
116.98624	48.6
118.03255	0.9
120.01154	3.7
126.97014	1.0
128.98610	89.8
129.10258	6.8
130.04973	0.9
131.00160	6.5
131.97487	0.7
132.57181	0.6
134.98714	1.0
134.99666	14.9
136.06248	4.4
136.07581	2.1
140.98578	2.6
143.00174	1.0
144.98083	1.6
146.99652	38.5
147.05856	2.1
149.01228	2.2
152.00179	0.8
153.00687	1.4
156.07703	6.2
158.99635	2.7
162.99121	1.3
165.00726	2.9
166.05356	2.9
170.99663	7.4
171.11630	0.7
173.12839	1.2
174.00897	3.1
177.00679	2.3
178.13387	0.9
182.99655	3.3
185.04219	4.0
185.21295	0.8
186.04536	3.4
189.00714	12.9
192.01930	63.6
200.13896	0.7
201.00717	5.9
203.11816	1.4
204.12025	1.0
207.01709	3.0
210.02995	41.9
220.01434	4.6
228.04056	3.5
231.01752	1.9
234.00710	1.4
234.02985	27.3
234.12288	1.1
235.11845	1.3
236.10643	6.8
238.02481	4.0
246.03008	34.1
248.04601	4.1
249.02751	2.2
251.15016	3.9
252.04036	13.2
253.12874	1.5
262.02448	1.0
264.04041	14.8
266.05591	1.3
282.05048	1.9
292.10184	0.8
306.05081	3.0
324.06146	35.2
325.06409	1.6
342.07220	34.0
348.15704	1.7
348.19708	0.8
365.21362	1.5
366.07108	75.2
366.21164	1.7
367.07281	3.2
384.08289	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
56.05041	1.5
56.96523	0.4
57.03447	0.7
58.06588	0.7
60.04245	1.0
60.04527	11.6
60.37766	0.5
64.80460	0.5
67.05502	1.4
69.03436	0.9
69.07072	4.3
69.64722	2.0
70.02947	0.5
70.06594	3.5
70.07386	0.5
71.04988	1.0
72.08141	2.3
74.68159	0.5
79.05486	1.8
81.03439	0.6
81.07069	3.1
81.40220	0.5
82.06586	2.2
84.08141	3.2
85.02889	0.8
86.09709	47.2
87.05606	6.8
87.10059	1.1
88.03959	0.6
91.05489	2.0
93.07043	2.3
95.07347	0.9
95.08598	0.6
97.06539	2.8
98.06036	0.6
98.06638	0.5
98.09740	0.7
98.23447	0.6
103.05505	0.6
105.06573	0.9
107.08605	0.7
108.08124	1.4
109.06505	0.9
109.10170	1.6
110.07137	1.5
110.09687	17.7
110.10448	1.1
111.09995	0.7
114.09174	2.0
119.04929	1.8
119.08557	0.7
120.08108	12.3
121.10246	0.5
123.11753	0.6
126.09182	1.4
128.10722	100.0
129.10233	0.7
129.11089	1.8
136.07567	6.5
137.06004	3.7
140.06842	0.9
143.11772	3.8
144.08104	0.9
147.04395	1.1
151.11227	0.7
154.08350	3.4
164.06879	0.7
165.01874	1.5
166.08615	5.7
169.12260	2.7
173.12866	59.0
174.13199	1.6
179.07040	3.1
187.09758	0.6
187.13397	0.6
196.09683	7.2
201.12350	16.1
207.11311	2.6
235.10764	0.9
253.15305	8.2
283.05972	6.6
322.11444	0.7
330.24417	0.6
348.25534	2.9
349.14319	0.6
366.06534	0.8
366.10535	3.0
366.16284	1.0
366.23331	21.6
366.26593	21.2
367.08179	0.7
367.17865	0.6
367.23599	1.6
367.27335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2023
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
52.15027	0.3
55.48840	0.3
60.04523	20.2
65.76956	0.3
67.26929	0.3
69.04539	0.3
69.38906	1.5
70.02940	1.6
72.04516	1.1
79.05462	0.4
79.95991	0.3
82.06548	0.3
84.04485	0.3
86.09704	71.0
87.05590	17.6
87.10055	1.6
93.07037	0.6
95.08600	0.4
103.05456	0.7
109.06467	0.4
110.09678	1.4
112.11243	1.0
114.09166	0.3
120.08102	27.8
121.08430	0.8
126.09212	0.5
128.10718	16.9
131.04898	0.5
143.11807	0.5
144.08069	0.4
149.05956	0.6
156.10213	0.4
165.01788	1.1
166.08633	14.3
167.09029	0.4
173.12849	100.0
174.13194	2.9
183.02859	0.4
201.12335	30.7
202.12639	1.1
207.11310	2.1
235.10811	0.7
266.59256	0.3
279.17007	1.8
283.05994	5.2
294.32980	0.3
366.06680	0.4
366.22467	0.7
366.26807	2.2
367.08188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05260	1.5
55.05511	23.0
57.07070	2.0
67.05511	8.0
69.03413	1.8
69.07062	3.7
69.41504	0.9
70.61979	1.3
70.99586	1.0
79.05490	7.9
80.05013	2.0
80.94811	0.9
81.07056	9.4
83.04980	1.8
83.08617	10.2
86.00668	1.7
88.98360	0.9
91.05463	2.6
93.07034	3.2
94.06566	1.9
95.08616	2.6
96.86945	0.8
97.01109	9.2
97.10168	15.3
98.00684	1.5
99.01433	1.4
99.02683	0.9
101.05998	0.9
104.04958	0.9
104.99223	1.0
105.05763	3.0
105.07027	1.7
106.06561	1.7
107.08606	6.0
109.10140	2.0
111.02674	5.9
111.08115	1.5
112.02203	4.5
113.02959	1.3
116.76999	0.9
117.07025	1.7
118.06541	3.2
119.08611	0.9
120.08095	2.9
123.02652	2.0
124.02151	9.0
125.02901	1.2
125.09625	8.6
126.03721	5.0
128.95076	0.9
129.07030	1.0
131.08595	1.0
132.08133	1.9
134.09576	0.9
135.02603	1.0
136.02147	2.2
137.02937	2.7
137.04114	1.7
138.03735	15.3
139.04486	1.4
146.09634	1.1
147.10406	1.4
148.11198	2.1
151.04509	1.8
152.05267	3.9
153.06200	1.6
153.07346	18.3
155.07602	1.0
162.03732	1.4
162.12776	4.2
163.13510	1.4
165.28743	0.9
167.08870	1.9
168.08450	2.7
168.19087	0.8
179.08910	2.0
180.08411	58.6
181.09235	10.7
182.09883	0.9
189.11185	2.1
192.08389	3.0
193.06870	1.8
194.09985	13.0
195.08432	1.5
196.11551	24.8
204.13889	0.9
205.09065	1.0
208.07936	1.2
218.10010	1.3
222.09517	2.2
235.09007	2.9
236.11223	1.4
263.08588	1.7
266.12210	1.1
289.98758	1.0
291.07990	3.9
304.17310	9.7
305.15747	2.6
306.10364	1.6
320.20273	1.8
321.12723	7.6
322.12869	1.3
322.18250	1.6
323.16818	1.7
330.18918	2.4
348.19916	19.9
349.12155	4.2
366.10538	3.2
366.14951	12.8
366.20966	100.0
367.13480	3.5
367.21262	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.3
56.46733	1.5
57.07086	7.8
66.91431	1.5
67.05511	8.3
69.07069	3.2
71.36826	1.3
79.05486	4.4
80.05018	3.2
80.94861	2.6
81.07057	6.9
83.08616	2.8
85.10184	16.7
87.39340	1.5
91.05489	5.4
93.07040	3.8
94.06552	5.3
95.08617	13.0
97.10181	4.1
105.07061	2.4
106.06561	3.5
107.08591	2.6
109.06511	2.8
111.02655	2.2
112.02214	9.5
113.09653	12.6
118.06553	5.7
120.08112	8.3
123.08066	10.5
124.02151	1.9
125.09607	3.3
126.03748	41.2
132.08212	1.7
138.03738	7.4
150.03809	2.5
152.05260	2.2
153.07341	5.0
162.03709	3.7
164.05367	2.1
168.08441	2.1
174.12839	4.6
180.08360	10.6
181.09186	3.2
184.11282	5.0
185.12003	2.2
189.11411	1.3
192.01857	1.8
192.08344	1.9
194.10095	2.1
196.11583	5.2
202.12292	5.4
204.13837	9.6
208.11562	2.3
218.10001	16.5
220.13281	10.7
226.12550	1.7
236.11002	11.6
238.12599	6.5
254.12209	7.5
304.17374	3.3
307.26141	1.9
320.20477	1.9
330.18878	14.4
338.21710	2.9
348.19870	28.8
366.10498	5.1
366.20978	100.0
367.20966	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05501	1.4
56.05052	0.8
57.03431	1.2
57.07049	0.6
59.04996	0.8
67.05494	2.6
67.37537	0.8
69.03437	2.1
69.07060	2.7
70.06583	3.0
71.04990	11.7
72.08151	5.2
74.06059	1.1
74.34286	0.7
77.03881	0.8
79.05495	13.0
81.07060	82.3
82.07381	2.8
83.04978	7.0
84.08129	1.8
85.02917	4.3
85.06528	1.2
86.09692	2.2
91.05473	1.7
93.07058	2.2
95.04971	2.1
95.08596	2.2
96.08113	0.8
97.06532	2.2
97.10169	1.0
105.07019	2.2
107.05013	0.9
107.08621	3.7
109.06508	1.2
109.10142	6.4
110.07181	2.7
110.09686	2.9
111.08115	0.9
113.05999	2.4
114.09184	3.4
119.04941	1.0
120.08112	8.3
121.02872	1.8
121.08411	2.0
123.08074	1.9
123.11694	6.2
125.09647	1.8
128.10724	16.6
130.06451	0.9
133.10141	2.6
136.07581	4.1
139.11163	2.8
143.10669	2.7
145.04964	1.2
147.09180	1.1
151.07538	1.7
151.11182	9.3
164.07077	2.1
169.12245	100.0
170.12563	3.2
173.12848	0.9
185.52661	0.9
187.09616	1.7
187.13316	6.5
196.09720	1.0
203.03291	2.3
204.03436	1.6
205.04889	0.9
207.11206	1.4
221.12891	0.8
225.12241	1.0
235.10858	2.1
281.15091	1.2
283.05875	0.9
302.08212	0.7
307.05820	1.2
309.07657	0.9
321.07413	1.4
349.07034	2.3
366.06485	1.1
366.10556	1.8
366.15128	0.8
366.22604	3.1
366.26480	8.1
367.08115	13.0
388.87253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42641	0.7
53.03944	0.8
55.01867	1.6
55.05518	2.8
56.05038	1.2
57.03446	3.3
57.07085	1.2
58.06608	2.0
58.53386	0.7
60.04538	1.7
61.02934	2.3
62.72965	0.7
67.05502	4.8
69.03434	7.4
69.07065	6.3
70.06596	15.1
71.05016	2.1
72.04557	1.0
72.08159	2.2
74.06082	1.0
79.05484	1.5
81.03422	3.4
81.07066	9.8
82.06610	1.4
82.14945	0.8
83.01346	0.8
83.04970	1.1
83.08623	2.5
84.04506	2.9
84.08175	3.7
85.02908	17.1
85.06541	1.2
86.09713	4.3
87.04507	0.9
87.05590	1.1
89.48607	0.7
91.05466	5.4
91.05981	0.7
93.07058	2.9
95.06085	1.4
95.08627	2.4
95.74841	1.0
97.02898	6.6
99.04480	1.2
103.05489	1.1
105.07048	3.6
107.08595	6.3
109.02914	1.9
109.06541	1.7
109.10168	9.5
110.07173	13.2
113.05984	1.2
116.07110	1.6
119.04940	1.4
120.08115	34.0
123.08118	0.8
123.11712	12.3
127.03916	3.9
129.10205	1.0
130.06499	0.8
133.10117	11.5
136.07582	19.1
138.16020	0.8
145.05005	1.5
147.04425	2.2
148.06068	2.6
150.12794	1.4
151.11180	10.0
168.13844	29.7
169.12296	3.8
169.14194	0.8
178.13354	3.7
185.04222	3.4
186.04576	2.3
186.14903	49.5
187.15344	1.8
191.11772	9.8
203.03227	1.4
203.05263	1.6
204.03813	1.0
204.05592	1.5
204.15964	100.0
205.16315	3.0
210.14922	0.9
219.11276	2.5
223.10751	1.6
223.15645	3.9
228.15993	1.7
246.17087	2.4
251.15057	6.8
253.11900	1.2
279.07813	1.3
292.10843	1.9
296.15915	2.7
330.19107	3.3
348.13486	1.3
348.20004	3.3
366.09000	6.6
366.11978	3.6
366.21213	25.7
367.19345	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	366.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45479	0.8
53.03955	1.7
55.01853	1.5
55.05523	4.6
56.05031	1.3
57.03438	4.9
57.07072	1.4
58.06598	4.4
59.04964	1.1
59.44904	0.8
60.04527	2.6
61.02924	4.8
67.05504	8.8
69.03427	14.4
69.07067	15.0
69.12897	2.9
69.13323	2.5
70.06590	13.6
71.04990	5.4
72.08154	7.1
73.02921	3.3
73.58730	1.0
74.06078	1.4
79.05478	2.7
80.69035	0.9
81.03421	5.3
81.07054	17.7
82.06566	0.8
83.04981	4.5
83.06141	1.3
83.08621	2.8
84.04508	1.3
84.08141	3.8
85.02907	42.6
85.06531	1.6
86.09706	82.9
87.04454	1.9
87.10027	2.0
91.03948	1.1
91.05473	3.2
93.07047	3.2
95.04980	2.5
95.08604	21.5
96.08939	1.6
97.02893	14.1
97.06529	1.6
98.97585	1.0
99.04462	2.2
103.05492	1.1
105.07054	2.2
107.08607	2.8
108.99798	0.8
109.02887	4.8
109.06500	1.0
109.10167	12.1
110.07163	5.2
113.66155	0.8
114.09174	1.1
119.04961	3.7
120.08100	50.0
121.08474	2.7
123.04433	2.1
123.08038	1.0
123.11713	4.1
125.05988	1.9
127.03909	6.7
127.07565	2.6
128.10728	2.9
129.10269	2.0
133.10121	1.3
136.07573	21.0
139.11163	1.3
143.07066	4.6
145.04948	6.1
147.09248	1.6
151.11165	5.1
151.14807	1.3
155.04271	4.5
157.12187	1.1
157.13364	25.0
158.13843	1.4
164.55772	1.0
165.05475	3.2
166.32793	0.9
168.17468	5.8
169.08611	2.6
169.12242	6.6
182.08113	5.7
185.12871	9.4
186.18530	86.9
187.09711	2.8
187.13333	3.8
187.18872	2.9
195.26813	0.9
204.19585	100.0
205.19949	5.2
228.19626	3.8
233.16486	21.8
233.18642	1.7
234.16920	1.3
235.10793	2.5
235.14430	6.6
246.20694	3.7
251.14990	1.9
253.11954	4.0
254.11031	4.6
261.15927	7.9
263.14014	2.6
268.12689	1.2
281.14944	1.5
304.84518	0.8
330.22830	4.0
343.74280	0.9
348.19547	1.9
348.23862	6.0
366.10687	2.7
366.17682	3.7
366.24927	68.4
367.07919	1.7
367.14261	1.2
367.19565	15.7
367.25101	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	366.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.05027	1.8
57.03423	1.1
57.27094	0.7
58.06610	4.9
67.03237	0.7
67.05498	3.4
69.07059	1.1
70.02119	1.7
70.06580	2.7
72.08161	1.3
73.68968	0.7
79.05494	2.2
81.07039	4.1
84.08145	8.8
91.05469	2.0
93.07042	2.4
95.08582	1.2
96.08115	1.5
98.22781	0.8
105.07027	1.5
107.04924	1.4
109.06492	0.9
109.10178	0.8
110.09681	2.0
111.04447	1.0
117.06999	0.8
124.62112	0.8
128.10701	6.0
133.10161	0.8
192.89113	0.7
249.08688	0.8
276.07266	0.8
290.08829	0.8
304.06833	0.9
322.11435	1.9
336.09750	1.3
348.21136	1.7
348.25323	28.5
348.29581	1.6
349.25656	1.9
366.10428	9.6
366.26376	100.0
367.26761	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	366.3006
Annotation	Melophlin P
Peak:m/z	Relative Intensity
53.03946	1.0
55.01869	1.4
55.05518	2.9
56.05032	1.1
57.03442	6.1
57.07084	0.5
58.06598	0.9
58.92694	0.4
59.05011	0.6
65.03934	0.9
67.05162	0.6
67.05509	9.0
69.07066	4.6
70.06592	1.3
70.76077	0.8
71.04996	3.1
72.04518	0.8
72.08158	8.9
77.03913	0.8
79.05495	13.0
81.07059	13.1
82.07420	0.4
83.04980	1.4
84.08134	1.0
85.06561	0.6
85.08916	1.3
91.05480	13.6
93.07048	9.3
94.07385	0.5
95.04961	2.1
95.08624	6.5
97.06539	4.9
98.09695	19.0
98.22746	0.6
99.08086	3.0
101.88271	0.5
102.09196	0.7
105.04508	0.9
105.07037	7.9
107.04963	0.5
107.08596	4.4
109.10168	0.8
110.09699	1.2
113.09659	1.1
116.06235	0.7
117.07003	4.5
119.08599	4.8
121.10166	1.5
124.11246	1.2
125.09587	0.5
128.10712	3.7
129.07007	1.3
131.08568	6.0
133.10138	2.1
142.07814	0.5
142.12282	7.2
143.08525	1.1
144.10213	0.8
144.52562	0.5
145.10143	2.2
147.11684	2.0
157.10199	0.9
159.11641	1.0
161.13277	0.5
163.19963	0.4
173.13275	0.6
183.11494	0.5
261.78915	0.4
274.14590	0.6
329.91843	0.4
330.27924	1.7
348.24899	1.2
348.28964	17.0
349.19870	0.7
349.29257	1.5
354.54767	0.5
366.30051	100.0
367.20874	4.8
367.30341	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	366.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01862	1.1
55.05513	2.8
56.05030	1.4
57.03441	6.2
58.06594	1.3
65.03955	0.6
67.05507	10.5
69.07068	6.7
70.06601	2.1
70.23136	0.5
71.05001	1.4
71.21996	0.5
72.04520	1.0
72.08154	15.2
79.05494	11.3
79.05947	0.7
81.06567	0.7
81.07056	10.4
81.07501	0.8
83.04952	1.1
83.08640	0.6
84.08149	2.0
85.06543	0.9
85.08913	1.3
86.09715	0.9
87.62054	0.4
91.05482	10.7
93.07045	10.1
93.07599	0.7
95.04958	2.4
95.08606	7.6
97.06532	4.0
98.09696	22.4
99.08100	2.5
102.09168	1.7
104.32565	0.4
105.07021	7.9
107.04927	0.8
107.08587	5.6
109.06512	0.8
109.10158	1.7
110.09728	0.6
111.08095	1.2
113.09636	1.3
117.07009	4.1
119.08583	4.6
121.10141	1.6
123.08041	0.5
124.11243	1.0
125.09627	0.8
128.06239	0.6
128.10719	3.0
129.06995	1.7
131.08551	4.2
132.08836	0.4
133.10138	3.9
142.12276	10.5
143.08620	1.3
145.10114	3.0
147.11703	2.0
149.02347	0.8
149.13245	0.7
156.13809	1.3
157.10101	0.9
159.11746	0.7
163.06169	0.4
169.10167	0.5
171.11678	0.6
173.13274	1.3
185.13138	0.5
186.14900	1.8
193.04961	1.4
195.44318	0.4
200.20059	0.4
228.19563	0.6
275.20020	0.5
330.28015	3.9
348.28967	39.8
349.29318	3.6
366.10565	1.7
366.30038	100.0
367.20963	3.9
367.25656	0.9
367.30359	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	366.3003
Annotation	Melophlin P
Peak:m/z	Relative Intensity
53.03930	0.6
54.32482	0.5
55.01861	1.0
55.05506	3.8
56.05028	1.9
56.96563	0.9
57.03185	0.6
57.03440	9.5
58.06596	1.2
61.29381	0.4
65.03924	0.5
67.05166	0.6
67.05506	10.2
69.03419	0.7
69.07067	5.9
70.06587	0.7
70.66505	0.4
71.04993	4.6
72.04518	1.0
72.08155	8.5
74.85312	0.4
79.05495	12.5
81.07053	13.6
83.04982	1.4
83.08614	0.8
84.08131	1.3
84.82865	0.5
85.06551	1.1
85.08910	0.7
86.09706	0.7
91.05479	12.3
93.07049	10.6
95.04963	2.3
95.08611	8.7
97.06532	3.9
97.10129	0.5
98.09061	1.0
98.09696	19.7
99.08109	2.4
102.09167	1.0
105.04538	0.7
105.07026	8.1
107.04973	1.2
107.08588	5.5
109.06516	1.6
109.10159	2.1
113.05925	0.5
113.09686	0.7
117.07028	2.9
119.08579	6.7
121.06502	1.0
121.10136	2.6
123.08081	0.9
123.11671	0.9
124.11240	0.8
125.09608	0.6
128.06213	0.5
128.10706	1.4
129.07019	1.4
131.08563	4.5
133.10117	3.5
135.08099	0.6
135.11697	1.3
137.09615	0.4
142.12263	9.6
143.08554	1.4
145.10155	2.8
147.11676	2.2
149.09601	1.0
149.13165	0.9
156.13818	0.9
157.10104	0.8
158.15384	0.7
159.11742	2.4
161.13182	0.9
166.07274	0.5
171.11688	1.0
173.13332	1.2
173.54630	0.5
183.11671	0.7
186.14893	6.1
187.14873	0.6
193.05029	0.6
201.99332	0.4
229.07416	0.9
247.20601	0.5
257.18973	0.5
269.10593	0.6
275.20084	4.3
330.27838	4.3
348.24945	1.1
348.28967	15.2
349.23782	1.7
349.29294	1.7
366.10724	1.2
366.30029	100.0
367.17203	0.9
367.21545	3.7
367.24997	2.3
367.30255	8.8
385.19052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1363
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
50.14930	0.6
50.88379	0.6
51.76008	0.6
53.45582	0.6
68.46024	0.6
69.17760	3.5
72.08142	0.7
90.85531	0.7
110.55855	0.8
151.98822	0.6
158.59114	0.7
185.04198	1.1
203.28461	0.6
330.72565	0.7
344.60315	0.8
367.10104	3.9
367.13654	100.0
368.13867	5.6
374.62274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60003	0.4
56.96556	0.4
60.04535	2.3
62.23394	0.4
70.02925	0.5
70.06605	3.8
72.08154	1.4
81.07073	0.7
83.06127	0.5
84.08149	1.5
85.02902	0.5
86.09692	0.8
87.05598	4.0
88.00214	0.4
88.04005	0.8
90.05564	0.7
91.05484	9.5
91.06045	0.5
93.04556	0.3
98.97564	0.5
107.04998	0.5
110.07178	3.1
115.05039	3.5
118.06496	0.4
119.04945	9.1
120.08105	8.5
121.08428	0.9
129.10275	0.7
130.06580	0.4
136.07579	100.0
137.07948	2.7
139.08685	0.4
145.06102	0.4
147.04437	1.2
148.07578	0.5
156.07686	1.1
156.59818	0.4
157.06104	1.4
166.08690	1.9
175.07170	0.9
177.10207	0.5
186.14828	0.4
187.15225	0.8
192.12105	0.5
193.09711	2.1
197.08954	0.6
203.06631	1.1
204.15909	0.6
205.16322	0.9
221.09106	0.8
223.15488	1.0
233.09186	0.7
235.74007	0.4
236.09190	0.5
245.74791	0.4
250.11893	0.5
250.15222	0.4
251.15161	0.6
253.11832	8.5
254.12123	0.5
278.11337	2.0
296.15848	2.5
349.14862	0.8
359.30737	0.4
367.09064	0.5
367.11679	0.4
367.15305	0.5
367.19397	9.0
368.09784	0.5
368.19360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01868	17.8
55.05511	28.4
56.96576	16.9
57.03435	25.0
58.06606	5.1
58.42155	2.5
60.04504	2.5
62.90907	2.7
65.03919	3.1
65.25569	2.5
67.05502	66.2
68.05840	2.7
69.03436	5.5
69.07073	35.0
70.06567	2.9
71.04996	9.9
71.08623	5.9
71.35721	2.9
72.08170	10.2
73.08516	2.9
79.05495	47.0
81.03423	3.7
81.07057	86.2
82.07384	3.6
83.04980	8.6
83.08617	12.5
84.08139	8.4
85.06544	4.8
86.09722	6.2
90.75733	2.4
91.05476	43.7
92.05815	4.7
93.07052	45.6
94.07405	3.6
95.04945	13.4
95.08611	40.6
97.06527	30.3
97.10170	9.1
98.09698	30.7
99.08106	11.1
99.10017	4.6
105.07022	33.4
107.04958	8.8
107.08590	33.4
108.08914	3.1
109.06509	25.9
109.10171	12.1
111.04441	3.8
111.08097	6.5
112.07642	5.3
117.07024	12.7
119.08590	23.4
121.06513	7.4
121.10165	15.0
123.08060	14.8
123.11687	5.6
125.09629	14.0
128.10732	11.6
129.07002	3.3
131.08548	22.0
133.10118	23.3
135.08116	7.0
135.11697	11.0
137.09660	6.2
141.07011	2.6
142.12262	16.9
143.08583	6.8
143.12631	3.5
145.10138	18.6
147.11687	17.3
149.09612	16.9
149.13266	7.0
151.11174	5.5
155.03784	2.4
155.08566	2.6
156.13866	3.4
157.10176	6.0
159.11652	13.3
161.13280	7.8
163.11151	12.8
163.14880	3.3
165.12767	5.4
173.13304	7.6
175.11174	7.2
177.12798	7.3
183.11693	3.3
186.14894	5.6
187.11092	3.9
189.11272	5.9
189.12820	2.9
197.13391	2.9
213.07942	8.1
217.07588	5.3
219.17499	3.5
225.07904	3.9
229.19560	3.9
231.09006	7.2
237.07971	3.5
239.09572	5.3
239.17943	5.0
241.11162	4.6
243.09032	3.5
247.20711	4.6
251.09700	3.5
255.09050	17.6
257.10602	5.0
257.18951	12.2
259.12247	4.8
269.10568	23.6
273.10086	9.3
275.20065	62.5
279.12714	9.7
287.11786	9.4
291.00174	2.7
293.21075	12.3
297.13821	5.2
308.22278	4.3
331.27753	3.3
348.28952	12.3
349.16895	11.7
349.23749	16.4
349.29446	23.8
350.23453	6.9
350.30548	17.0
366.30045	74.2
367.11301	4.4
367.18243	89.2
367.24936	31.0
367.30350	100.0
368.19403	5.6
368.24310	32.0
368.31491	30.8
385.18912	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	367.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01862	2.4
55.05511	7.5
56.96569	32.4
57.03439	12.8
58.06593	1.2
58.18645	1.0
67.05509	22.1
69.03384	1.0
69.07072	10.7
70.06560	1.3
71.04954	3.1
71.95238	1.8
72.08122	3.7
73.30344	1.1
75.33833	1.0
79.05495	21.3
80.05783	1.4
81.03391	1.4
81.07059	43.1
82.07366	2.3
83.04955	1.9
83.08588	3.7
85.06526	1.1
89.05945	1.1
90.10823	1.0
91.05483	15.8
93.07048	17.9
95.04935	4.6
95.08620	15.7
95.73921	1.1
97.06532	6.5
97.10145	1.4
97.96772	3.3
98.09698	11.3
98.97556	1.4
99.08042	1.6
99.09991	1.2
105.07033	14.6
106.07326	1.1
107.04905	3.1
107.08604	10.7
109.06532	5.9
109.10182	6.8
110.97565	4.7
117.06969	4.6
117.07699	1.0
119.01625	1.0
119.08594	11.5
120.08935	1.0
121.06509	1.7
121.09357	1.0
121.10150	6.9
123.08016	2.4
123.11672	1.9
128.10658	2.4
128.98628	5.4
128.99371	1.0
131.08563	7.1
131.11023	1.0
131.15817	1.0
133.10135	7.1
135.07964	2.2
135.11646	3.1
137.02725	1.5
137.09567	2.2
142.12212	4.1
143.00098	1.2
143.08504	2.3
143.12601	1.4
145.10123	5.2
146.99571	1.9
147.11694	5.8
149.09528	3.4
149.13191	2.4
153.02136	1.4
155.03716	1.8
157.10027	2.2
159.11674	5.1
161.01208	1.2
161.13229	1.5
163.11131	2.4
163.14783	1.5
165.12741	1.5
167.03773	1.2
169.05310	1.7
171.03273	2.2
171.11588	1.4
173.13213	2.3
175.11124	1.2
177.19803	1.1
183.03052	1.2
183.11745	1.1
185.04800	2.2
187.14938	1.6
194.90327	0.9
195.06827	3.0
197.13234	1.3
199.06300	3.9
203.05731	2.7
205.07365	2.2
207.06796	1.4
211.06285	1.6
213.07959	13.4
217.07373	4.1
223.06329	1.3
223.08432	1.3
225.07918	5.9
229.07281	3.9
231.09021	11.6
237.07886	1.4
239.09399	4.4
239.17998	1.6
241.11157	6.0
243.06689	1.1
243.08931	4.4
247.08429	2.0
247.20576	1.4
251.09523	7.6
253.11086	1.2
255.09064	8.4
257.10541	2.2
257.18991	2.3
259.12143	5.2
269.10623	36.1
270.10815	2.0
273.09845	4.0
275.20050	18.9
276.20270	1.4
279.08838	3.7
280.09647	2.9
287.11658	12.8
292.12057	2.3
293.20920	1.8
297.09821	3.2
298.10574	1.2
315.10678	1.7
331.15839	9.3
331.28201	2.1
348.28741	3.9
349.13232	1.3
349.16727	16.4
349.19702	0.8
349.23526	6.7
349.28894	5.9
350.30255	1.7
366.30038	18.6
367.17609	100.0
367.24954	6.6
367.30032	34.1
368.18149	6.6
368.31555	4.9
385.19070	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.9
55.05304	2.3
55.05517	26.1
56.96570	20.7
57.03436	25.7
58.06583	3.3
59.05000	2.8
65.03943	4.9
67.05506	56.4
69.03436	5.1
69.06708	2.8
69.07071	33.5
69.71151	8.3
70.06581	3.4
71.05002	7.3
71.08618	4.8
72.08144	15.7
72.96053	2.6
74.94521	2.1
77.03915	2.9
79.05041	3.4
79.05497	49.4
81.03412	6.0
81.07059	87.2
82.07375	2.6
83.04977	9.4
83.08619	13.8
84.08143	5.9
85.06548	5.2
86.09720	5.2
91.05487	42.9
91.65188	2.1
92.05834	2.6
93.07049	42.8
94.07332	3.4
95.04967	15.6
95.08613	40.9
96.08913	2.6
97.06528	27.1
97.10175	9.5
98.09705	27.4
98.10370	3.3
99.04410	3.3
99.08099	9.1
99.10026	4.2
102.09180	2.3
105.04536	2.9
105.07041	36.2
107.04950	9.3
107.08600	31.6
109.06517	19.1
109.10170	18.6
110.97505	2.4
111.08067	7.8
112.07636	3.9
117.07043	14.6
119.08598	27.0
121.06519	8.0
121.10157	17.3
123.08040	11.4
123.11670	3.9
125.09586	8.3
128.10701	10.1
129.07030	5.4
131.08569	16.1
133.10144	19.9
135.08066	4.9
135.11684	9.6
137.09602	7.0
142.12253	12.1
143.08539	4.1
145.10141	14.9
147.11664	18.2
149.09608	19.9
149.13225	5.8
151.11174	6.5
155.03893	2.8
156.13828	2.5
157.10098	4.2
159.11661	14.1
161.13229	5.7
163.11234	6.6
165.09103	2.4
171.10292	2.4
171.11597	3.4
173.13274	4.2
175.11159	5.1
177.12750	5.6
181.12187	2.9
183.11668	2.8
185.13130	2.4
186.14923	5.4
187.11212	2.7
189.11105	2.6
193.12175	3.8
199.06508	5.4
203.14250	2.9
205.07481	2.7
213.07985	9.3
217.07498	3.2
219.17401	3.5
223.13252	3.0
229.14400	2.5
229.19522	6.1
231.09030	5.0
239.09531	4.3
239.17892	5.2
241.11049	7.2
247.20633	3.6
253.17671	2.2
255.08945	13.8
257.10577	3.1
257.19113	15.9
259.12210	4.5
269.10550	25.1
269.17581	2.4
273.10150	7.7
275.20081	64.2
279.12695	4.9
287.11691	12.0
289.78448	2.7
293.21140	16.4
297.13791	5.1
331.15823	3.1
332.29474	5.1
348.28925	10.4
349.16882	15.0
349.23767	19.5
349.29282	25.2
350.23199	4.5
350.30554	20.2
366.30051	39.8
367.17712	77.1
367.24911	30.2
367.30316	100.0
368.18698	6.1
368.24448	13.8
368.31564	34.8
385.19055	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
54.93944	1.6
55.05498	3.4
57.03426	2.5
57.07056	2.0
67.05503	5.3
69.03423	5.5
69.07075	14.4
70.06590	12.5
70.52098	1.5
71.04996	21.1
71.06935	2.1
73.02926	1.6
79.05492	8.7
81.03413	2.9
81.07056	76.3
83.04968	4.4
84.08132	4.7
85.02901	17.4
85.06545	2.4
86.09707	23.9
87.10043	7.7
93.07039	5.1
95.04941	3.3
95.08593	3.7
96.08144	2.8
97.02889	4.5
97.06537	5.7
99.08087	3.8
107.08557	9.9
109.02845	2.5
109.06529	3.3
109.10150	16.3
110.07145	6.7
111.08070	4.0
111.11704	4.7
114.09155	8.0
120.08104	4.3
123.08058	2.2
123.11704	17.1
127.11107	1.8
129.10263	1.8
133.10155	3.3
136.07565	2.5
137.07944	1.5
138.91510	1.7
139.11220	10.2
139.12105	2.0
145.05000	2.1
147.09128	2.5
151.11176	28.5
152.11534	1.8
155.04266	4.1
157.12227	17.6
157.13399	5.9
158.13670	4.5
164.06943	1.5
169.12234	39.2
170.12547	2.0
185.12828	3.4
187.13290	100.0
188.13652	2.7
205.12419	1.6
243.52815	1.7
254.11160	6.0
281.15033	5.0
322.12119	1.6
331.38315	1.6
344.14883	4.0
346.79898	1.8
367.07782	3.9
367.13620	2.8
367.19412	22.5
367.23959	2.5
368.16705	26.8
368.20563	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01873	14.4
55.05514	32.4
56.05032	2.2
57.03435	17.6
57.07068	2.2
65.03942	2.0
67.05510	61.3
68.05832	1.9
69.03428	2.8
69.06712	2.5
69.07073	49.8
69.49113	6.1
70.06584	2.1
70.07406	2.3
71.04987	5.7
71.08630	2.3
72.08159	22.2
73.08486	3.1
77.03909	2.4
79.05495	54.5
80.05842	2.5
81.03417	11.0
81.07059	100.0
82.07384	2.8
83.04968	12.9
83.08622	17.9
84.08133	2.2
85.06547	4.9
91.05488	48.4
92.05821	2.6
93.07046	52.6
94.07378	2.2
95.01320	2.3
95.04971	17.6
95.08604	41.1
96.05380	1.6
96.08981	2.0
97.06528	23.2
97.10183	7.6
98.09697	13.9
99.08102	5.2
99.10032	3.6
102.09221	1.8
103.05453	1.6
105.07032	46.4
106.07352	2.3
107.04958	14.4
107.07932	3.3
107.08603	46.0
109.06524	22.5
109.10154	18.3
110.09698	12.1
111.04397	2.0
111.08089	7.7
113.05995	1.9
113.09679	1.7
117.07023	13.6
119.08591	32.1
120.08862	2.2
121.06516	9.1
121.10162	18.8
123.08080	7.6
123.11700	6.9
125.09647	7.8
128.10715	2.5
129.06964	4.4
131.08577	19.2
133.06502	2.1
133.10130	25.0
134.10497	1.5
135.08047	6.8
135.11688	10.3
137.09604	6.5
139.11185	1.9
141.07004	2.3
142.12308	5.8
143.08525	3.3
145.06483	1.9
145.10130	19.3
147.08052	2.5
147.11700	19.7
149.09634	19.6
149.13252	10.5
151.11148	5.2
155.08568	2.9
156.13852	5.0
157.10153	5.6
159.11688	15.8
161.09576	2.1
161.13261	7.0
163.11192	10.8
163.14793	2.2
165.09219	1.5
165.12714	7.0
169.10132	3.1
170.11800	6.6
171.10201	2.3
171.11688	4.0
173.13263	5.8
175.11220	3.6
177.12782	5.6
179.14317	4.1
183.11710	3.6
183.13815	1.4
185.13370	3.9
189.11195	5.0
189.12720	2.1
191.10736	2.4
193.12303	3.1
195.13820	1.7
197.13264	3.4
201.16452	1.7
203.14355	3.0
205.12288	1.8
215.17778	1.7
219.17592	3.3
227.12726	3.7
229.19557	2.3
239.17908	4.4
245.13811	2.4
247.20625	5.7
251.19930	2.2
257.19052	13.1
269.17654	1.9
275.20062	77.5
276.20398	6.8
293.21069	9.6
331.28311	2.6
346.52234	1.6
349.23724	33.3
349.29272	31.4
350.24158	2.6
350.30606	11.3
367.18030	3.5
367.24738	58.5
367.30264	45.7
368.21875	4.5
368.25562	2.2
368.26434	2.1
368.31641	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Betaenone A
Peak:m/z	Relative Intensity
50.04640	0.9
53.03934	1.2
53.57210	0.8
55.01875	6.3
55.05515	14.7
57.03437	13.8
57.07085	1.9
65.03949	1.6
67.05507	31.1
69.03441	2.8
69.07072	17.0
69.20452	3.7
71.04997	2.8
71.08591	0.9
72.08153	2.0
79.05495	27.6
80.70486	0.8
81.03437	2.0
81.07059	36.1
83.04993	7.5
83.08614	8.4
85.06547	2.9
91.05481	27.0
93.07047	33.9
95.04969	6.3
95.08607	22.7
97.06535	10.3
97.10167	4.9
98.09697	4.2
99.08114	1.8
105.07033	32.3
107.04939	7.6
107.08595	25.9
109.06521	8.8
109.10155	9.4
111.08087	3.2
115.05422	1.2
117.07012	9.6
119.08583	25.4
121.06500	8.6
121.10140	13.0
123.08076	4.3
123.11711	3.6
125.09647	4.0
128.06221	1.3
129.06990	7.4
131.07040	2.4
131.08566	21.2
133.05594	1.0
133.06511	3.8
133.10121	17.2
135.08063	4.4
135.11707	7.3
137.09631	2.7
137.13249	0.9
140.64983	0.9
141.07007	2.1
142.07758	1.3
142.12383	1.6
143.08557	5.6
145.10124	17.5
146.10431	1.1
147.08058	3.2
147.11708	15.8
149.09613	13.7
149.13281	3.1
151.11166	5.1
155.08614	1.8
157.10149	6.3
159.08122	1.9
159.11691	15.2
161.09639	3.4
161.13292	5.6
163.11182	6.0
169.10149	1.8
171.10284	1.6
171.11699	3.5
173.09708	1.6
173.13261	7.9
175.11214	3.1
175.14827	2.3
177.12758	2.8
183.11751	3.8
185.13232	10.3
187.11215	2.2
187.14827	1.9
189.11208	2.1
189.12704	1.2
191.14333	3.6
197.13290	3.3
201.12723	2.1
201.16414	2.0
203.14265	4.6
205.15950	1.2
207.13789	1.3
215.17920	2.3
219.13887	2.3
219.17413	9.1
221.15398	1.6
227.12886	1.8
228.40904	0.9
229.15909	1.2
229.19524	3.5
233.15460	1.4
233.19025	1.0
239.17952	6.3
247.20584	3.7
253.18066	1.5
257.18991	19.6
258.19443	1.1
275.20065	100.0
276.20419	5.7
293.21198	8.1
299.19595	1.0
331.22736	1.5
349.23740	55.4
350.24155	4.5
350.30478	4.8
367.18234	2.4
367.24753	25.0
367.29910	3.6
368.25696	2.1
368.31622	7.4
390.97144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
55.01866	23.6
55.05513	49.5
57.03439	42.2
64.76786	3.6
65.03938	3.5
66.30022	3.2
67.05504	64.7
69.03426	5.0
69.07067	37.7
70.53584	6.1
71.04993	12.1
71.75637	3.5
77.03925	3.5
79.05491	78.2
81.03403	6.6
81.07055	67.6
83.04984	30.0
83.08617	31.5
85.02884	8.8
85.06547	4.7
90.67209	3.4
91.05481	54.9
93.07040	72.5
95.04964	52.6
95.08596	47.7
97.06521	19.5
97.10173	15.9
98.09692	7.0
98.22759	4.5
99.04449	15.3
99.08121	4.9
105.07027	59.5
107.04956	11.7
107.08578	67.7
109.06539	11.6
109.10126	25.7
111.04443	29.2
111.08081	13.8
113.09690	4.6
117.07018	25.6
119.08594	38.9
121.06525	12.2
121.10139	36.6
121.53057	3.2
123.08090	12.8
125.09637	17.8
129.07011	7.9
131.07068	8.0
131.08557	33.0
133.10124	27.5
135.08067	9.2
135.11690	16.8
137.09633	7.5
139.11192	7.0
142.12247	5.6
143.08504	4.2
145.10132	34.0
147.08130	5.7
147.11681	24.2
149.09616	31.3
149.13248	6.1
151.11195	5.4
151.64351	4.1
153.12799	5.1
157.10179	9.3
159.11711	24.8
161.13281	8.0
163.11179	30.2
165.12775	4.5
167.10745	3.8
169.10205	6.1
171.10175	3.7
171.11700	6.1
173.09673	3.5
173.13278	9.9
175.11101	4.1
177.12770	6.8
181.12187	7.6
183.11768	5.7
185.13351	21.9
187.11230	3.6
189.11226	9.5
197.13185	5.7
201.16371	4.1
203.14339	9.4
205.12314	5.1
219.17406	31.4
223.13306	43.2
229.19528	8.2
233.62952	3.8
239.17973	10.6
257.19000	26.1
275.20053	100.0
275.22928	6.7
276.20432	8.5
293.21222	18.0
349.23688	34.9
350.30560	10.1
367.24753	31.2
367.29822	7.6
368.25388	5.1
368.31738	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01871	23.4
55.05253	2.9
55.05509	33.6
56.05840	1.7
57.03443	20.5
57.07085	3.6
65.03936	2.8
67.05505	70.3
67.05868	3.6
68.05830	2.2
69.03423	7.0
69.07069	36.0
69.88575	2.0
69.88910	3.3
71.04987	6.7
72.08148	5.0
74.41787	1.7
79.05492	62.8
81.03421	5.3
81.07056	97.8
82.07378	2.5
83.04995	9.6
83.08619	19.8
85.02913	1.6
85.06533	6.0
91.05480	52.6
92.05789	1.7
92.43633	1.9
93.07046	53.3
94.07332	2.5
95.04971	20.7
95.08601	52.2
96.08929	3.8
97.06530	28.0
97.10142	7.5
98.09689	5.9
98.23371	3.2
99.08092	6.5
103.88058	1.6
105.04477	2.2
105.07033	59.0
105.07736	3.3
106.07355	2.8
107.04942	13.4
107.08592	46.2
109.06516	13.0
109.10153	26.7
111.08077	7.3
113.09590	1.9
114.30246	1.7
115.05451	1.8
117.07018	20.7
119.07738	2.9
119.08582	46.7
120.08903	2.5
121.06514	7.2
121.10142	21.2
123.08076	6.6
123.11707	9.6
125.09654	7.6
128.06244	2.6
129.06998	4.3
131.08577	22.3
133.10124	34.6
135.08038	10.9
135.11713	12.3
137.09642	7.6
139.11182	3.0
141.06996	3.5
142.12254	1.8
143.08534	5.9
145.10133	27.2
147.08046	1.9
147.11697	24.3
149.09634	22.4
149.13264	8.3
151.11212	4.3
153.09093	2.4
155.08551	3.0
156.13850	2.6
157.10107	7.7
159.11703	18.3
161.09660	3.1
161.13200	7.7
163.11205	11.7
163.14897	2.3
165.09073	2.5
165.12770	6.4
169.10126	3.1
169.12280	2.0
171.10225	2.6
171.11681	4.5
173.13226	9.9
175.11189	3.4
175.14850	2.4
177.12732	5.1
179.14424	2.2
183.11742	4.1
185.13269	3.5
187.11177	3.3
187.14795	3.1
189.11201	4.9
189.12715	2.0
191.14317	2.6
195.13823	4.4
197.13258	3.3
199.14809	2.0
205.19569	2.6
215.18059	2.5
227.12766	3.3
229.14348	2.1
229.19585	4.1
239.17950	6.3
241.19510	1.9
245.13885	3.3
247.20596	8.5
251.20012	2.3
257.19016	15.8
265.21649	3.0
269.17493	5.9
275.20062	100.0
276.20331	7.4
277.24915	1.6
285.17154	2.0
293.21069	7.3
311.22241	2.5
349.23752	40.4
349.28516	3.6
350.24014	2.4
350.30554	11.7
367.24619	92.9
367.30298	24.2
368.25470	10.3
368.31421	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03560	0.9
53.03954	1.7
55.01874	2.7
55.05509	11.9
57.03439	6.1
57.07077	2.6
58.00677	0.9
59.08052	0.8
60.65004	0.8
65.03929	1.2
66.15469	0.8
67.05161	1.5
67.05505	25.6
68.05828	1.0
69.03426	1.9
69.06709	1.3
69.07069	19.4
70.74069	1.2
71.05001	2.2
72.04500	3.5
72.08146	1.0
72.90856	0.9
79.05492	20.5
81.07055	31.1
83.04984	7.0
83.08614	6.0
91.05482	21.9
93.07050	28.3
95.04976	6.5
95.08025	1.5
95.08608	18.5
97.06516	4.0
97.10165	2.0
99.04468	1.2
99.08073	1.3
102.98920	1.0
103.05485	1.1
105.04456	1.3
105.07029	27.8
106.07336	0.9
107.04953	6.8
107.08598	17.4
109.06520	9.7
109.10172	5.9
111.04472	1.2
111.08068	1.5
117.07023	8.9
119.08595	15.6
121.06497	11.4
121.10148	9.8
123.08074	4.5
123.11692	2.1
125.09642	1.8
129.07013	3.3
130.07774	1.0
131.08566	21.4
133.06476	2.7
133.10126	16.2
135.08058	4.9
135.11662	4.9
137.09579	1.8
141.06952	1.7
143.08556	2.9
145.06506	1.5
145.10144	12.9
146.10611	1.2
147.08051	3.1
147.11697	12.6
149.09631	7.4
149.13252	3.6
151.11145	4.2
155.08536	2.7
157.10138	2.6
159.08046	1.9
159.11705	7.9
161.09648	3.5
161.13306	3.1
163.11215	6.5
165.12689	1.0
167.10722	1.9
169.10078	1.4
171.11670	1.3
173.09648	3.3
173.13225	4.7
175.11235	2.7
175.14749	1.7
177.12802	2.7
179.14319	1.1
183.11668	1.4
183.13805	1.8
184.16957	3.4
185.13266	1.2
187.11174	2.3
187.14787	2.0
189.12685	1.2
191.14317	2.2
197.13231	1.5
199.14951	1.1
201.12784	4.0
202.18056	3.2
206.26385	1.0
207.13683	2.1
213.16460	0.9
214.20125	1.0
215.14433	1.0
215.17914	1.5
219.13788	3.3
223.13448	1.3
231.17429	1.3
239.17920	3.9
247.20552	4.1
254.24294	0.8
257.19043	13.7
258.19324	1.6
275.20065	100.0
276.20331	6.1
293.21094	11.4
301.42715	1.0
342.84424	1.1
349.23727	57.3
350.24094	4.9
367.24860	22.3
367.29736	2.1
368.25238	2.0
368.31815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Betaenone A
Peak:m/z	Relative Intensity
52.72654	0.5
53.03931	1.6
55.01870	3.6
55.05511	11.5
57.03436	4.3
57.07045	1.7
61.53901	0.5
65.03916	1.0
66.39555	0.5
67.05507	21.2
68.05820	0.6
69.03426	1.3
69.07069	12.5
69.69585	0.7
69.69956	1.6
71.04971	1.8
77.03921	1.2
79.05058	1.0
79.05493	17.8
80.05807	0.4
80.35027	0.5
81.03381	0.9
81.07058	26.6
81.86594	0.4
83.04983	6.4
83.08619	4.8
84.79664	0.6
85.06503	0.9
91.05479	21.1
92.05785	0.7
93.07044	23.3
94.07331	0.8
95.04971	7.3
95.08039	0.8
95.08610	15.0
96.08945	0.5
97.06531	3.8
97.10141	1.8
105.04505	1.0
105.07031	25.1
106.07316	0.6
107.04950	8.0
107.07935	0.8
107.08594	13.7
109.06525	9.3
109.10158	7.6
111.08042	1.7
115.05415	0.7
117.07031	7.1
119.07754	1.0
119.08582	13.1
121.06512	11.1
121.10132	9.0
123.08060	4.6
123.11684	2.2
125.09608	1.1
129.07008	2.5
131.08568	17.9
133.06496	3.3
133.09187	0.9
133.10133	16.0
135.08070	5.5
135.11702	5.2
137.09586	1.9
139.07498	0.6
141.06949	1.0
143.08580	2.7
145.06459	2.0
145.10124	14.0
147.08026	3.4
147.11682	10.2
149.09607	5.4
149.13213	2.8
151.11183	4.3
155.08542	1.5
157.10167	3.1
159.08008	2.4
159.11687	6.9
161.09656	3.2
161.13239	3.0
163.11168	7.0
163.14844	0.6
165.12756	0.9
169.10092	1.1
171.11662	2.3
173.09676	2.5
173.13257	4.7
175.11194	1.9
175.14835	1.0
177.12761	2.1
179.14279	0.8
182.19447	0.6
183.11662	1.8
185.13269	1.0
187.11139	1.7
187.14819	1.1
189.12698	1.6
191.14290	2.3
193.12236	0.5
197.13257	1.7
198.02142	0.5
199.14868	0.6
201.12717	2.2
205.19530	0.8
207.13762	3.1
213.16319	0.9
215.14278	1.3
215.17960	1.8
217.15848	0.7
219.13829	3.0
229.00000	0.6
229.19516	1.8
231.17409	1.0
233.15355	0.6
233.19118	0.7
237.36559	0.5
239.17960	3.1
247.20589	3.1
257.19006	13.6
275.20062	100.0
276.20422	7.4
293.17923	0.9
293.21124	9.9
349.23727	46.4
350.24014	3.7
367.24768	18.7
367.28967	0.8
368.25299	1.1
368.31519	1.2
383.47913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03938	12.5
54.97622	8.9
55.01870	29.8
55.05507	32.6
57.03448	16.6
59.04206	8.9
63.16641	8.6
67.05499	57.1
69.07079	47.4
79.05502	37.0
80.94861	24.6
81.03410	22.3
81.07053	86.8
83.08633	14.9
91.05485	59.3
91.95985	9.7
93.07050	33.7
95.01330	15.9
95.04964	15.0
95.08611	36.3
97.06521	67.4
102.94955	10.7
105.07021	81.2
107.04955	26.2
107.08597	23.7
109.06506	18.8
117.06982	13.7
119.08569	31.3
121.10075	11.1
121.76905	9.9
122.36607	9.6
125.09619	12.9
131.08595	31.8
133.10104	57.5
135.11703	13.9
145.10136	17.7
147.11633	23.0
149.09625	14.7
151.11162	12.7
159.11726	14.7
164.92116	15.7
179.14290	14.5
257.19370	11.7
275.20096	100.0
322.65421	10.3
349.23798	76.2
367.10519	13.3
367.24832	48.1
368.31415	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.46209	0.9
55.01875	9.2
55.05513	24.4
57.03442	18.7
57.07077	2.5
58.06590	1.2
59.05001	6.6
62.64540	1.1
62.68442	1.0
65.03950	3.2
67.05505	61.9
69.03424	3.9
69.07069	30.3
70.42140	1.3
70.42459	1.2
71.04993	4.5
71.08638	1.1
72.08151	4.4
73.08466	1.0
77.03947	1.2
79.05495	47.7
80.05835	1.6
81.03423	3.2
81.07059	100.0
82.07404	3.3
83.04984	7.8
83.08622	13.8
84.08126	1.7
85.06544	3.6
91.05482	41.5
92.05827	2.6
93.07047	43.6
95.04967	10.8
95.08608	36.4
96.08945	2.0
97.06528	15.3
97.10181	4.6
98.09697	4.9
99.08105	5.6
99.10040	1.0
103.05437	1.2
105.04552	1.7
105.07038	37.6
106.07362	2.1
107.04959	7.5
107.07838	1.4
107.08595	28.8
109.06510	11.9
109.07134	1.3
109.10149	18.3
111.08065	5.7
117.07034	11.3
119.08582	31.3
120.08865	2.2
121.06490	5.4
121.10144	18.4
123.08088	6.1
123.11700	9.9
125.09659	5.4
126.85216	1.0
128.10709	11.3
129.07010	3.3
129.57491	1.1
131.08575	15.5
133.10130	26.4
134.10484	1.7
135.08075	5.5
135.11676	8.7
137.09625	3.6
137.13232	2.4
141.07018	1.1
142.12277	2.4
143.08589	2.8
145.10139	16.8
147.08047	1.4
147.11690	24.4
148.12027	1.2
149.09612	11.1
149.13263	8.9
151.07523	1.2
151.11191	4.3
155.08589	1.6
157.10110	4.4
159.11714	13.1
161.09619	2.3
161.13261	4.1
163.11169	7.6
163.14830	1.1
165.09067	1.1
165.12779	5.6
169.10049	1.5
171.10258	1.9
171.11707	4.0
173.11928	1.8
173.13252	5.8
175.11185	3.2
175.14885	1.7
177.12790	4.2
179.14426	1.2
179.77914	1.0
182.65465	1.2
183.11696	3.7
185.13318	1.2
189.11273	2.3
189.12779	1.4
189.16541	1.2
191.14336	1.3
193.12309	1.7
195.13850	2.7
197.13297	2.4
201.23845	1.0
207.13844	1.3
215.18013	2.1
217.15918	1.5
219.13899	1.1
229.19528	3.3
231.17390	1.2
233.18971	2.0
235.16869	1.3
239.18034	5.5
247.20517	5.0
251.20094	1.4
257.19031	11.2
265.21606	1.9
269.17459	5.5
275.20071	61.5
276.20395	4.2
293.21143	6.2
331.22620	2.9
349.19916	2.1
349.23770	21.5
349.29224	7.2
366.29819	1.1
367.20822	21.4
367.24887	46.3
367.30344	31.9
368.24631	2.5
368.28223	1.6
368.31558	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01867	13.2
55.05510	27.4
56.05011	2.2
57.03440	22.8
57.07071	3.1
59.04992	3.2
65.03915	2.9
67.05505	64.5
67.05865	3.1
68.05840	3.4
69.03430	5.3
69.07071	35.8
69.56792	3.2
69.57172	2.6
70.06584	3.3
70.07414	2.6
71.04984	7.9
71.06906	1.5
72.08162	8.4
73.08500	2.0
79.05494	56.0
80.05823	4.0
81.03422	4.7
81.07058	100.0
82.07373	2.8
83.04990	9.0
83.08613	13.0
84.08144	4.4
85.06551	6.5
91.05477	42.8
92.05804	2.3
93.07045	53.5
94.07378	4.9
95.04974	13.3
95.08605	45.6
96.08932	3.0
97.06528	19.8
97.10166	7.0
98.09701	14.6
99.08093	6.5
99.10024	2.0
105.04518	2.9
105.07030	42.7
106.07367	3.7
107.04954	9.7
107.08597	34.7
109.06527	15.7
109.10159	21.0
110.09666	4.0
111.08083	4.7
113.09579	1.9
115.05460	2.3
117.06997	13.3
119.08588	32.8
121.06496	5.3
121.10135	17.0
122.10404	1.7
123.08078	6.4
123.11716	9.4
125.09670	7.5
128.10706	21.6
129.07001	5.7
129.11096	1.9
131.08568	24.0
133.06464	1.7
133.10118	27.4
135.08049	7.3
135.11682	12.6
137.09621	5.7
137.13193	1.9
139.11188	2.2
142.12285	6.7
143.08572	4.1
143.12567	2.1
145.06424	1.8
145.10109	21.0
147.11685	26.7
148.12062	2.2
149.02324	3.6
149.09641	12.9
149.13240	6.4
151.11186	2.5
157.10172	5.1
159.11700	16.1
161.09645	2.2
161.13295	6.1
163.11201	10.5
163.14822	2.0
163.37392	1.4
165.12723	7.1
169.10139	2.7
171.10220	2.7
171.11700	4.6
173.11859	2.2
173.13144	7.0
175.11150	3.7
177.12825	5.0
179.14316	2.4
183.11646	2.1
183.13855	1.8
187.11230	2.3
187.14787	2.7
189.11208	2.9
191.14337	2.3
193.04997	2.4
194.05396	3.2
195.13811	4.9
197.13231	3.4
200.20145	1.9
201.12682	2.4
201.20448	1.6
207.13818	2.0
211.20158	1.8
213.16418	1.6
215.17940	1.8
218.72437	1.6
219.17508	2.3
229.19507	2.2
239.17989	3.3
247.20575	5.2
257.19092	11.6
269.17386	4.0
275.20071	72.7
276.20413	4.1
279.15753	3.0
281.13638	1.7
293.20920	7.5
331.22574	2.3
331.28400	2.5
349.19922	3.3
349.23724	25.0
349.29276	23.2
350.23529	2.8
350.30472	2.1
367.20822	52.1
367.24890	46.0
367.30353	67.0
368.21265	3.6
368.27997	4.5
368.31702	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01868	7.9
55.05515	19.4
56.05030	2.7
57.03184	1.2
57.03441	15.5
57.07076	2.4
61.05707	1.0
64.55405	1.1
65.03948	2.3
67.05505	49.2
69.03434	2.0
69.07070	32.1
69.07449	1.8
69.60065	1.4
69.60410	3.7
70.06593	2.8
70.07389	1.2
71.05000	4.1
71.08635	3.0
72.08160	7.8
79.05495	44.6
80.05847	1.3
81.03413	2.3
81.07056	100.0
82.06581	3.8
82.07386	3.1
83.04990	7.6
83.08616	14.4
84.08148	2.0
85.06563	3.8
85.10213	1.2
91.05477	24.9
93.07043	33.4
94.07405	1.8
95.04987	10.9
95.07357	1.9
95.08606	32.7
97.06522	11.9
97.10171	2.7
98.09705	16.8
98.22757	2.2
99.08096	8.1
99.10026	2.2
105.07029	28.2
106.07376	1.6
107.04958	8.6
107.08599	20.2
108.08129	5.2
109.06525	15.7
109.10146	10.4
110.07166	1.2
110.09682	44.8
110.10455	2.5
111.04482	1.2
111.08081	4.7
113.09672	2.5
115.05444	1.9
117.07035	8.7
119.08587	18.3
121.06490	6.0
121.10143	12.2
123.08058	8.0
123.11706	8.5
125.09592	2.1
127.07584	1.3
128.10751	2.4
129.07013	3.3
131.08569	12.6
132.08928	1.6
133.10129	13.5
135.08063	4.5
135.11662	5.8
137.06018	1.1
137.09621	3.3
141.07025	1.3
142.12280	4.4
143.08553	1.8
145.10112	11.1
147.11705	17.4
149.09607	7.9
149.13258	7.6
151.11197	2.8
155.08531	1.3
156.13792	2.2
157.10170	4.0
159.11717	8.5
161.13237	2.4
163.11221	7.0
165.12781	5.8
167.14314	1.4
170.11761	42.5
171.11658	1.6
173.13226	3.7
175.11206	4.3
176.64626	1.1
177.12762	3.5
179.14290	2.2
187.11182	2.8
191.10663	1.4
191.14435	1.3
193.12294	2.1
195.13789	1.4
197.13300	1.6
207.13864	1.4
219.13885	1.7
229.19571	2.0
239.18011	2.8
247.20512	3.1
257.18936	6.3
275.20071	42.9
276.20413	3.1
293.21112	6.3
308.20126	2.3
332.29510	1.1
338.67163	1.3
349.16830	1.3
349.23828	10.2
349.29224	11.9
350.30585	12.1
367.17947	5.7
367.24820	34.1
367.30316	30.0
368.21985	19.6
368.31622	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01872	20.8
55.05513	30.6
56.05843	2.2
57.03439	17.9
65.03943	2.2
67.05161	3.9
67.05505	73.7
69.03424	6.6
69.07071	45.4
70.07412	3.5
71.04986	8.4
71.46642	2.6
72.08143	7.2
77.03908	3.0
79.05493	55.9
81.03410	6.2
81.07056	100.0
82.07383	5.0
83.04984	7.6
83.08616	13.1
85.06529	6.6
91.05476	43.3
93.07037	44.5
94.07381	2.4
95.04965	15.9
95.08607	44.6
96.33372	2.1
97.06524	26.1
97.10186	6.6
98.06815	2.1
98.09686	8.7
99.04446	3.3
99.08089	3.6
99.10018	2.5
105.07028	46.7
107.04964	16.2
107.08588	43.9
109.06514	17.1
109.10163	21.6
111.08060	5.5
117.07054	15.2
119.08580	33.9
121.06522	7.2
121.10156	19.0
123.08078	8.8
123.11710	11.6
125.09641	7.9
129.07059	3.8
131.08588	20.2
132.71693	2.2
133.10144	28.2
134.10429	2.4
135.08072	10.5
135.11690	12.4
137.09615	7.5
137.13315	2.4
137.93431	1.9
139.07486	2.9
142.12238	5.0
143.08546	2.5
145.10126	24.7
147.11684	21.4
149.09593	17.6
149.13240	7.1
151.11165	3.3
157.10147	6.2
159.11697	14.2
161.09586	3.0
161.13263	7.3
163.11140	13.1
165.12785	3.7
169.10159	4.1
171.10193	5.6
171.11742	6.2
173.13252	9.1
175.11166	4.4
177.12758	5.6
187.11327	3.2
189.11241	3.8
191.04146	2.4
193.12318	2.7
197.13292	3.5
227.12791	2.5
229.19556	6.4
233.19084	3.3
239.17978	7.0
245.13989	4.5
247.20563	9.0
251.19984	5.1
257.19037	15.3
263.19788	3.1
265.21521	3.1
269.17435	3.1
275.20038	87.4
276.20377	2.4
293.21179	6.8
349.23764	37.5
349.28632	3.1
350.30490	9.8
367.24698	36.1
367.30276	42.7
368.25681	20.3
368.31549	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01868	20.2
55.05507	54.8
57.03434	10.2
62.02341	5.7
67.05505	53.5
69.07061	15.6
69.77196	22.7
70.69160	6.2
71.04972	7.9
73.75690	5.7
79.05489	83.3
81.07055	62.7
83.04995	31.5
83.08623	21.3
91.05486	39.0
93.07054	56.6
93.83451	6.3
95.04971	12.6
95.08603	26.8
95.54963	5.6
97.06522	24.1
97.10188	10.0
98.23397	8.6
105.07037	35.3
107.04951	27.2
107.08619	53.7
109.06523	13.7
109.10113	29.1
111.08087	7.2
117.07055	14.2
119.08598	34.6
121.10130	25.9
123.08048	6.6
123.11767	9.3
125.09634	17.1
131.08580	21.4
133.10130	18.9
145.10107	14.2
147.11714	14.4
149.09624	49.9
159.11694	15.2
161.13228	7.1
163.11156	8.9
163.14853	7.6
187.33951	7.2
189.11238	16.1
227.12798	7.1
237.72580	7.6
257.18909	13.9
275.20053	100.0
349.23740	74.2
353.18231	7.4
367.24591	18.1
367.29083	7.2
368.31311	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01882	6.1
55.05513	20.5
57.03180	1.9
57.03440	21.5
58.06622	1.8
58.86878	1.3
65.03938	2.2
66.92148	1.2
67.05505	56.6
68.05843	3.0
69.03435	3.9
69.06712	1.7
69.07074	27.8
69.20457	8.0
70.06586	3.8
71.04980	4.2
72.04570	1.5
72.08157	9.5
73.08494	1.7
79.05494	50.7
80.05812	2.2
81.03420	3.2
81.07058	87.5
82.07396	4.4
83.04983	7.2
83.08620	14.7
83.74825	1.3
84.08153	3.1
85.02914	1.4
85.06535	3.8
86.09678	1.9
91.05481	35.7
92.05803	3.6
93.07047	45.2
94.07391	3.8
94.52589	1.2
95.04977	8.9
95.08015	2.6
95.08607	34.1
96.08946	3.1
97.06531	18.5
97.10176	3.5
98.09702	22.1
99.08107	6.7
99.10017	4.5
100.08434	1.6
103.05459	1.7
105.04498	2.0
105.07034	34.6
106.07322	2.6
107.04958	5.9
107.08601	24.6
108.08955	1.9
109.06537	11.3
109.10165	12.1
110.09719	3.4
111.08098	6.1
113.09661	1.7
117.07044	9.5
119.08587	26.9
120.08909	2.7
121.06513	4.9
121.10137	18.4
123.08064	6.8
123.11700	5.6
125.09628	4.4
128.10724	15.1
129.06967	3.4
129.11009	1.6
131.08585	16.1
132.08917	2.4
133.10143	21.7
134.10414	1.9
134.91527	1.3
135.08032	6.2
135.11667	7.6
137.09605	4.2
139.11174	1.4
141.07071	1.7
142.12288	8.9
143.08585	3.6
143.12595	3.7
144.10196	4.5
145.10121	15.1
147.08052	3.4
147.11688	18.1
148.12082	1.7
149.09644	8.9
149.13298	8.0
151.11189	2.2
151.57841	1.3
157.10144	5.0
159.11710	10.4
160.12086	1.4
161.09544	2.9
161.13252	3.7
163.11185	6.7
165.12726	5.4
169.10199	2.0
171.11699	3.3
173.09824	1.4
173.13281	3.7
175.11200	2.7
175.14845	2.7
177.12758	3.2
183.11734	2.2
185.13271	2.5
186.14886	2.0
187.11191	1.8
187.14990	2.3
195.13780	2.8
197.13335	2.1
203.14485	1.5
207.13869	1.5
229.19656	2.9
231.17499	1.9
239.18060	6.3
247.20497	3.1
257.18988	9.2
275.20047	51.9
276.20416	2.1
293.21063	6.3
305.60831	1.8
331.28156	3.5
349.19968	3.1
349.23804	16.9
349.29260	30.0
350.30423	4.6
366.29819	3.0
367.20868	100.0
367.25000	38.6
367.30353	97.8
368.21304	8.0
368.27774	4.9
368.31696	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
54.88560	1.7
55.05509	23.3
57.03438	2.4
57.07078	11.3
59.04995	3.6
64.49985	1.9
65.03926	5.9
67.05505	38.4
69.03420	5.9
69.07069	27.3
70.70923	3.4
71.04984	7.0
71.08623	2.7
75.14058	1.8
77.03888	2.7
78.20217	1.8
79.05499	35.8
81.03414	2.0
81.07059	53.4
83.04978	6.2
83.08612	8.4
85.06523	5.8
91.05473	62.5
93.06441	4.1
93.07039	76.9
94.07372	2.1
95.04968	45.4
95.08607	60.2
96.08908	2.4
97.06520	14.4
97.10189	2.6
99.08106	2.3
103.05449	3.7
105.04499	7.2
105.07030	91.8
106.07351	3.8
107.05004	2.1
107.08595	65.4
109.06517	15.3
109.10160	43.5
109.37337	1.6
111.08085	5.7
115.05446	6.6
116.06213	4.9
117.07021	17.0
119.04935	3.8
119.08578	100.0
121.06493	11.0
121.09272	2.5
121.10146	51.3
123.08066	9.6
123.11700	14.1
128.06226	13.1
129.07002	17.9
130.07799	9.9
131.08568	57.9
131.55161	2.0
133.06444	2.6
133.10126	64.4
134.10406	2.5
135.08058	21.1
135.11685	21.3
137.09595	10.1
139.11179	2.0
141.06921	8.7
142.07791	24.5
143.08559	41.9
144.09373	12.8
145.06488	2.4
145.10129	65.6
146.07260	6.2
146.10617	2.6
147.08055	13.0
147.11676	22.8
149.09627	19.5
149.13245	5.0
153.07005	2.9
154.07739	3.1
155.08540	14.8
156.09367	11.4
157.10138	48.8
158.10884	8.3
159.08006	5.3
159.11705	35.4
160.12238	2.4
161.09610	42.7
161.13203	7.6
163.11102	5.2
163.14786	2.0
165.07005	3.4
167.08572	7.1
168.09322	7.1
169.10146	21.6
170.10843	7.5
171.08105	2.0
171.11703	24.5
172.12398	5.2
173.09612	7.0
173.13268	26.0
175.11211	9.9
175.14835	23.4
179.08536	8.1
179.14322	6.6
180.00404	2.1
180.09349	2.1
181.10103	9.1
182.10886	3.5
183.11678	25.5
184.12396	3.6
185.09587	5.1
185.13213	14.7
186.13916	2.3
187.11084	2.2
187.14839	12.2
189.12782	4.4
191.14310	3.7
193.10100	6.0
194.10895	7.1
195.11710	12.7
196.12476	7.9
197.13234	18.4
198.13980	2.3
199.11044	2.4
199.14769	12.4
201.12694	4.2
201.16380	8.2
203.14352	1.9
205.15939	3.3
207.11673	5.9
208.12468	4.6
209.13255	24.2
210.13968	4.0
211.14807	6.8
213.12737	8.1
213.16309	6.0
215.14371	3.5
219.11795	2.1
219.17332	2.9
221.13226	4.6
223.14839	8.2
225.16449	3.2
227.14323	25.7
235.14700	3.2
236.15616	3.9
237.16350	5.4
239.18028	9.1
251.18019	2.5
253.19478	5.4
255.17558	4.2
257.19006	8.3
263.17993	2.1
265.19458	6.9
266.20410	2.7
267.17499	5.0
269.18979	5.6
271.20764	2.2
275.17944	3.7
281.18851	2.0
283.20538	2.0
284.21640	2.2
293.18787	3.3
349.24969	6.3
349.27835	4.2
367.26279	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	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
50.63865	0.7
54.83969	0.7
55.05511	10.8
57.07079	5.5
67.05507	11.5
69.03440	1.2
69.07071	20.6
69.79372	2.9
71.05016	1.3
71.08635	11.7
73.66505	0.8
79.05492	5.7
81.07057	20.5
83.04988	3.4
83.08613	7.6
85.06554	2.4
91.05493	3.6
93.07044	9.1
95.04977	2.3
95.08607	19.5
97.06544	3.1
97.10182	2.7
98.04992	0.8
98.22729	1.2
99.08099	13.6
105.07049	5.7
107.08593	11.8
109.06520	7.2
109.10165	9.1
111.04453	1.0
111.08083	4.0
119.08607	7.5
121.06533	2.3
121.10154	5.6
123.08073	23.8
123.11716	3.1
125.06007	2.4
128.10718	1.3
131.08560	1.6
133.10129	8.8
135.08072	3.8
135.11703	3.2
137.09648	2.4
137.13242	1.9
139.07506	1.4
143.76396	0.8
145.10138	3.5
147.11697	3.8
149.09677	2.6
149.13251	2.4
151.11211	2.3
151.14853	1.4
153.12720	4.8
155.10707	0.9
155.14284	1.0
159.11687	2.1
161.13272	2.7
163.11232	1.3
163.14868	1.3
165.12738	2.6
167.14328	1.1
173.13361	1.4
175.14835	1.3
177.12779	1.0
179.14313	28.6
180.14606	1.4
181.12172	1.2
181.15897	1.3
187.14972	1.1
189.16429	3.0
191.14319	1.9
193.15915	1.3
203.14531	1.0
239.89658	0.8
251.20082	8.8
261.18573	1.1
289.25375	0.9
293.21121	10.3
293.28427	3.7
303.26819	12.5
304.27225	1.1
313.25247	1.5
321.27887	6.0
331.26300	43.0
332.26691	2.7
349.27377	100.0
350.27673	9.3
367.24863	1.1
367.28616	5.8
368.35190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
56.96559	0.9
57.47579	0.5
70.06609	1.3
70.58585	0.7
71.34404	0.6
72.08149	1.1
73.02521	0.6
84.08141	1.8
86.09708	100.0
87.10046	2.0
88.75859	0.5
95.06123	0.8
97.09263	0.5
98.97586	1.3
110.07173	5.9
116.98577	0.8
120.58634	0.6
132.10205	68.4
133.10550	2.0
136.06218	0.6
143.45447	0.5
155.70761	0.7
156.07669	6.0
172.94331	0.6
178.04985	1.7
206.04532	2.4
214.95398	1.0
232.96490	3.5
234.99420	0.7
236.04552	0.8
250.97549	1.2
254.05533	1.4
303.00848	0.9
322.49411	0.6
346.04865	2.4
364.05978	1.0
368.22949	1.2
369.18158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.03455	0.5
59.79793	0.5
61.56221	0.5
63.60078	0.5
69.03426	2.9
69.07044	0.5
69.56015	1.7
70.06599	3.4
70.69594	0.5
71.04987	0.5
71.62340	0.6
72.08143	1.8
81.07040	1.7
83.06082	0.5
84.08133	1.5
84.68864	0.5
85.02887	1.2
85.06561	0.6
86.09707	3.1
91.05489	3.6
93.07040	1.2
96.08121	1.8
97.10136	0.5
107.04925	0.6
107.08623	0.8
110.07165	8.3
114.09171	5.7
115.28875	0.4
119.04942	4.9
120.08118	1.1
125.09634	1.0
127.03896	1.5
128.10719	0.6
129.09125	1.6
134.57874	0.5
136.07584	0.9
140.03160	2.7
142.04765	2.9
147.04393	5.9
147.05457	0.7
153.09140	0.7
154.08369	0.8
156.07706	1.2
164.06877	0.6
166.04776	1.8
166.06099	0.7
171.10190	3.9
175.03917	8.1
179.06963	0.6
184.05812	18.2
184.07449	1.0
185.06210	0.5
188.07297	0.5
189.11182	1.6
196.09671	0.6
207.04672	0.9
207.06526	13.9
207.10950	0.9
209.14102	0.5
223.15535	0.6
224.12373	0.5
225.12070	0.6
233.12669	0.5
237.13393	0.7
251.13512	6.4
253.11691	3.5
279.13147	3.6
282.15433	0.7
297.14203	22.0
298.14484	0.8
306.14142	0.8
324.15292	2.2
343.71994	0.5
350.16766	2.1
368.17841	100.0
368.21515	6.9
369.18521	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	368.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78043	0.6
55.01856	1.1
55.05520	3.8
56.05031	4.9
57.03437	5.6
57.07066	1.8
58.06592	2.1
60.32087	0.6
65.03903	0.6
65.30831	0.5
67.05504	12.0
68.05018	2.0
69.07062	7.8
69.55542	2.2
70.06590	5.2
71.04986	0.8
71.08630	3.2
72.04513	0.8
72.07788	0.8
72.08156	11.2
72.46127	0.5
73.35829	0.5
76.75094	0.5
79.05495	9.5
81.03421	0.9
81.05757	1.0
81.07053	15.2
82.06586	9.4
82.07376	1.0
83.04969	1.7
83.08594	1.7
84.08137	2.6
85.06546	0.6
85.08921	0.7
85.10172	4.2
86.09669	1.3
91.04940	0.7
91.05479	7.8
93.07038	10.9
94.06566	1.8
94.07343	0.6
95.04973	1.7
95.07357	4.1
95.08602	8.7
96.08139	0.7
97.06522	4.9
98.06056	0.9
98.09692	21.7
98.22745	1.0
99.08096	4.9
99.10004	0.8
101.03897	1.9
101.06035	0.6
102.09179	1.1
105.04552	0.6
105.07021	5.9
107.04973	0.5
107.08593	3.0
108.08124	10.7
108.08882	0.6
109.10154	2.5
110.09676	86.2
111.04390	0.6
111.08076	0.6
111.10014	1.8
113.09636	4.2
115.05450	1.2
115.07545	0.6
117.06992	2.4
119.08553	3.9
120.37655	0.5
121.10133	2.1
124.11212	1.1
128.06226	1.0
128.10718	5.1
129.06990	0.9
131.08549	2.6
133.10106	1.9
137.05983	3.0
141.06987	0.7
142.12260	9.7
143.08542	0.7
144.10254	1.2
145.10135	1.6
147.11705	0.9
148.12064	0.6
149.09633	0.9
149.13309	0.7
156.13892	0.9
159.11690	1.6
163.11125	0.7
170.11757	100.0
171.12057	3.2
173.13344	0.8
177.12772	0.7
186.14867	2.2
276.20490	1.6
277.17911	2.8
280.26385	0.7
308.19937	0.9
332.29434	5.0
338.88342	0.6
350.30508	51.4
351.30789	3.0
368.22214	66.2
368.31573	97.9
369.22565	6.1
369.32108	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.05023	0.5
57.03428	0.3
60.38171	0.2
62.05611	0.2
67.05502	0.3
68.05029	0.3
69.07059	0.5
69.47206	0.4
69.47589	0.5
70.06590	1.5
71.04978	0.3
72.08138	0.3
74.27424	0.2
75.34486	0.2
79.05491	0.8
81.05803	0.2
81.07047	0.8
82.06589	1.4
84.08149	0.7
86.09723	0.2
91.05484	0.4
93.07049	0.9
94.23132	0.2
95.04946	0.3
95.07363	0.8
95.08594	0.3
96.08120	0.3
97.06526	2.3
107.08605	0.2
108.08134	1.3
110.07164	0.4
110.09677	14.0
111.04439	0.2
111.10069	0.2
114.09168	0.5
128.10716	100.0
129.11053	2.7
133.10124	0.2
135.11696	0.2
142.12341	0.2
157.93761	0.2
173.67065	0.2
175.03810	0.3
195.50990	0.2
199.47334	0.2
350.23315	0.3
350.26904	6.3
351.27090	0.3
363.61591	0.2
368.24365	0.9
368.27985	18.8
369.28299	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
53.37218	0.2
55.05513	0.5
56.05022	1.0
57.03411	0.3
58.06593	0.6
59.05040	0.2
61.45470	0.2
67.05489	0.5
68.05029	0.3
69.03430	1.5
69.07063	0.7
70.06594	1.4
71.04972	0.4
72.08153	0.5
79.05489	1.7
81.03444	0.3
81.07039	1.0
82.06568	1.2
83.04959	0.7
84.08129	1.0
85.02901	1.2
86.09696	0.7
91.05472	1.3
93.07037	1.4
94.06539	0.4
95.04942	0.5
95.07344	0.9
95.08583	0.4
96.08109	0.4
97.02885	0.6
97.06536	2.9
105.07065	1.2
107.08602	2.6
108.08108	1.3
109.06506	1.0
109.10128	0.6
110.07141	1.2
110.09676	15.1
111.04419	0.4
111.09990	0.5
114.09169	1.0
119.08609	1.1
123.08065	0.4
124.11222	0.3
126.12753	0.3
127.03942	0.4
128.10712	100.0
129.11041	2.5
131.08539	0.6
133.06439	0.3
133.10112	0.4
135.08083	0.2
145.04912	0.3
147.08072	0.6
147.11682	0.8
149.09599	0.3
151.07545	3.2
159.11714	0.3
163.11194	0.3
171.11684	0.3
177.12729	2.0
189.12773	1.3
202.57127	0.2
207.06499	0.3
207.13795	3.5
231.11292	0.5
244.53917	0.2
284.06256	0.6
319.12936	0.9
340.09091	0.3
350.23541	0.3
350.26904	6.7
351.27179	0.5
368.08401	0.6
368.24216	1.3
368.27975	22.1
369.15109	1.4
369.23932	0.4
369.28235	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	368.2798
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
56.05035	1.3
58.06592	2.8
60.70922	0.8
69.07057	1.2
69.14775	3.2
69.15183	2.7
70.06585	3.5
79.05486	2.0
81.07056	2.6
82.06599	1.4
82.23734	0.9
83.15077	0.8
84.08152	3.3
89.30582	0.9
93.07019	1.9
96.52050	0.9
97.06532	2.7
107.08564	1.1
108.08092	2.1
110.09676	18.0
111.04421	1.3
113.60303	0.9
114.09193	2.1
124.82029	0.9
128.10718	100.0
129.11063	4.0
139.84914	0.9
174.95833	1.0
255.33220	1.0
322.27197	1.6
350.26859	8.0
368.27939	53.5
369.28397	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	368.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01853	1.9
55.05513	5.3
56.25043	0.7
57.03183	1.0
57.03439	14.9
57.07064	2.3
57.10085	0.7
58.03777	0.7
58.06575	0.6
62.06082	2.7
65.03950	1.0
67.05157	1.2
67.05506	19.9
68.05853	0.7
69.07066	11.6
70.41415	1.3
71.04980	2.1
71.08641	1.2
72.04510	0.7
72.08150	10.4
73.06557	0.7
73.25973	0.7
79.05493	12.7
80.05801	1.1
81.07058	16.7
82.07368	1.4
83.04981	2.1
83.08622	3.4
85.06566	1.0
91.05477	7.8
92.20438	0.7
93.06463	0.8
93.07042	12.9
94.07369	1.4
95.04963	2.5
95.08606	15.2
96.08890	0.9
97.06532	6.2
97.10172	1.8
98.09698	3.3
99.08092	4.4
105.07039	7.3
107.04963	0.7
107.08581	6.1
108.08945	0.9
109.06512	1.9
109.10157	4.9
111.08083	1.0
113.09654	3.5
114.09164	1.6
115.07576	1.6
117.07005	2.3
119.08556	5.5
119.78248	0.6
121.06485	0.8
121.10149	4.6
122.10486	0.7
123.08093	1.1
123.11685	1.2
131.08571	2.8
132.08917	1.4
133.10124	4.2
134.10455	0.8
135.11678	2.8
137.05939	0.8
142.12283	2.0
145.10124	2.0
147.11699	2.8
148.12088	0.6
149.09624	0.8
149.13263	0.9
157.39023	0.7
159.11682	1.4
161.13321	1.6
163.11171	1.1
184.16908	0.8
202.18004	1.2
217.19490	0.9
258.19333	1.3
271.24255	0.7
275.20166	1.2
276.20450	5.6
277.21631	1.1
350.24014	3.7
350.30536	4.3
351.25327	0.8
368.25604	5.2
368.31592	100.0
369.31903	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	368.3161
Annotation	PGF2alpha dimethyl amine
Peak:m/z	Relative Intensity
53.03935	0.6
55.01863	1.2
55.05301	0.3
55.05516	3.0
56.05018	1.2
57.03442	6.2
57.07063	0.4
58.06588	1.2
60.04510	0.5
67.05505	9.3
68.05843	0.5
69.03424	0.3
69.07063	5.0
69.14481	1.9
70.06584	0.9
71.04978	1.0
71.08629	8.6
72.04514	1.1
72.08154	9.0
79.05492	9.2
80.05811	0.4
81.07057	10.3
82.07381	0.7
83.04982	0.8
83.08603	1.2
84.08145	1.5
85.06527	0.9
85.08897	0.7
86.09691	1.4
91.05483	6.7
92.05846	0.5
93.07044	6.7
94.07393	0.3
95.04975	1.7
95.08023	0.6
95.08606	9.1
96.08169	0.4
96.08961	0.4
96.72397	0.3
97.06531	3.8
97.10169	1.0
98.06861	0.5
98.09690	21.3
98.22687	0.7
99.07445	0.6
99.08088	9.9
99.09952	0.4
100.07595	0.4
101.06008	0.3
102.09180	1.2
105.07017	3.9
106.07398	0.5
107.08598	3.0
109.06483	0.8
109.10147	1.9
110.07196	0.4
110.09660	0.3
111.08076	0.6
112.07603	0.6
112.11242	0.3
113.09642	0.9
115.07595	0.4
117.07020	1.8
119.08578	5.1
120.08075	0.4
120.08878	0.4
121.10163	1.7
123.08086	0.7
123.11736	0.5
124.11211	1.3
125.09628	1.1
126.09149	0.5
127.11178	0.4
128.10706	1.6
129.06998	0.6
131.08559	2.2
133.10143	2.4
135.11685	1.0
142.12270	8.7
143.08502	0.3
143.12617	0.3
144.10173	2.3
145.10081	1.7
147.11676	0.9
148.12048	0.4
149.09599	0.6
149.13313	0.6
150.09912	0.4
156.13815	0.7
157.10193	0.6
159.11691	1.0
161.13257	0.4
171.11671	0.4
173.13249	1.0
175.14899	0.4
186.14880	0.9
189.11244	0.6
189.16141	0.4
211.16954	0.3
249.24815	0.3
265.14279	0.5
276.20331	1.0
290.20905	0.4
294.21466	0.5
305.17926	0.4
332.29459	3.9
333.29639	0.3
350.23462	1.0
350.30524	35.8
351.30899	2.5
368.31583	100.0
369.22455	2.7
369.31976	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	368.316
Annotation	PGE2alpha dimethyl amine
Peak:m/z	Relative Intensity
53.71022	0.5
55.01786	1.8
55.02031	0.7
55.05436	4.2
55.40644	0.6
56.04965	1.5
57.03361	6.3
57.03661	1.2
57.07024	0.8
58.06521	1.7
67.05416	8.9
67.05814	1.0
69.06982	18.3
69.07387	2.0
69.07612	0.8
71.04904	3.9
72.04451	1.2
72.08065	10.0
79.05402	11.3
79.05893	0.8
81.06960	11.9
83.04889	1.8
83.08525	3.8
84.08064	1.3
84.08891	0.6
85.02814	3.6
85.06480	0.9
85.08849	0.9
86.09624	0.8
91.05479	5.4
93.07039	12.0
95.04874	2.7
95.08608	7.8
96.08012	0.7
97.06540	7.3
97.10060	0.9
98.09693	26.2
99.08081	3.9
102.09077	2.5
105.07005	3.6
107.04838	0.6
107.08593	6.9
108.08878	0.7
109.06461	1.2
109.10114	3.3
110.09570	2.1
111.08007	1.4
111.11595	0.9
113.09571	1.0
114.12732	0.6
117.06905	0.6
119.08598	4.9
120.08868	0.7
121.06441	0.8
121.10038	2.7
122.10405	0.7
123.07998	1.1
123.11688	0.9
124.11148	1.1
128.69460	0.6
131.08453	1.3
133.10020	2.8
135.11687	5.5
136.12105	0.7
137.09509	0.7
142.12286	13.2
144.10152	0.6
145.10028	1.4
147.11626	1.1
149.09528	1.4
149.13176	1.1
153.12616	0.6
156.13736	2.3
159.11591	1.1
170.11661	2.0
175.14813	0.7
193.87717	0.6
221.42390	0.6
233.51196	0.6
258.19202	0.8
267.84503	0.7
276.20456	3.5
332.29425	3.7
350.23730	2.4
350.30530	91.3
351.30820	7.5
368.31601	100.0
369.31967	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	369.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
63.89283	0.4
67.98190	0.5
68.66055	0.4
69.77479	1.5
70.06593	0.8
71.95263	0.5
72.96042	1.3
73.66696	0.4
74.97614	1.0
76.89046	0.5
83.97624	1.3
85.99205	0.5
91.05424	0.5
98.22424	0.5
120.08155	2.4
121.08401	0.6
144.96826	1.0
149.02702	0.8
151.00577	0.5
152.79614	0.4
156.36617	0.4
158.02824	0.5
160.04480	0.5
163.00711	0.6
165.02251	2.1
165.97104	0.9
166.08701	0.8
167.03804	1.2
167.74309	0.4
176.03853	17.4
177.02274	0.7
178.05399	32.6
179.00223	0.7
179.05681	0.6
179.98810	0.6
180.86438	0.5
181.01682	1.3
183.03299	6.9
183.98193	0.5
185.04771	0.5
186.02232	1.2
187.31010	0.5
187.86403	0.4
187.96448	1.0
190.01682	1.1
190.94992	0.4
192.03340	1.7
194.04884	6.6
195.03313	0.6
196.04662	1.0
196.06468	19.2
197.06804	0.4
201.04352	5.2
203.58755	0.5
204.03302	9.0
205.03729	0.4
206.99806	0.6
208.02795	4.6
210.04420	1.3
222.04375	64.8
222.82779	0.4
223.01462	0.5
223.04648	2.1
226.03818	2.5
230.29979	0.5
240.05432	55.1
241.05783	1.7
245.05916	1.0
263.07117	0.6
278.05823	0.7
324.08972	1.2
351.10150	5.8
369.11215	69.7
369.21762	1.3
370.11642	4.8
387.12241	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	369.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.3
56.96288	2.7
56.96563	37.4
67.05496	1.8
69.07060	2.0
70.06572	2.0
71.95252	1.5
79.05489	1.3
81.07041	1.4
83.08599	3.6
93.07037	1.4
98.97599	1.5
103.23182	1.3
105.90148	1.1
109.10127	1.3
110.97572	3.2
115.00671	1.2
128.10718	1.3
128.98605	3.5
137.02730	2.0
137.18587	1.2
141.02170	1.6
144.10170	1.4
146.09247	1.2
146.99646	1.6
151.00693	1.4
155.03821	1.8
159.03300	2.5
167.03821	1.2
171.03120	1.7
181.05389	2.1
185.04814	2.0
195.06967	1.7
199.06415	7.0
201.07986	1.3
203.05882	2.4
204.06685	1.4
207.06987	1.6
211.06425	1.5
213.07970	15.3
217.07452	6.1
219.06758	1.4
221.08495	2.0
225.07988	4.6
229.07480	7.1
231.09035	13.3
232.96561	2.5
237.07939	3.7
239.09515	5.3
241.11127	8.3
243.09076	5.6
247.08453	2.3
251.09560	8.9
254.94553	1.7
255.09070	3.9
257.10614	3.6
259.12259	11.6
269.10596	45.1
270.10950	2.1
287.11688	15.7
292.12234	3.8
333.17340	18.0
334.17480	1.6
351.18381	31.8
352.18747	2.2
369.19452	100.0
370.19806	7.2
374.19971	2.2
387.20529	54.6
388.20642	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01873	3.6
55.05505	27.0
57.03179	4.1
57.03440	54.6
57.07077	5.5
65.03947	4.8
67.05159	5.4
67.05506	84.5
68.05838	3.5
69.07060	21.0
71.04986	11.9
71.46675	2.7
73.81554	2.8
75.04513	3.2
79.05492	70.6
81.07056	94.8
81.35072	2.6
83.04993	6.3
83.08605	14.6
85.06544	11.6
91.05475	46.9
93.07041	100.0
95.04966	13.2
95.08607	83.1
97.06528	10.6
97.10165	7.9
99.08083	10.4
105.04490	3.4
105.07029	51.3
107.08596	73.4
107.30193	2.7
109.06522	11.4
109.10159	35.6
109.72800	2.7
111.08095	8.4
113.09637	4.6
117.07031	16.7
119.08573	41.4
121.10146	50.6
123.08092	13.0
123.11712	12.9
125.09648	5.5
129.07019	6.5
131.07033	9.6
131.08569	27.5
133.10129	37.3
135.08101	4.5
135.11703	39.7
137.09637	7.7
143.08597	5.2
145.10127	26.6
147.11681	26.7
149.09651	7.3
149.13255	20.7
151.11189	8.1
151.49341	3.0
157.10072	4.7
159.11703	26.2
161.13297	14.8
163.11195	5.4
163.14803	4.7
165.12813	5.3
166.01378	3.6
171.11719	8.4
173.13269	12.6
175.14850	7.9
177.16371	4.6
185.13274	7.9
186.13557	2.9
187.14803	37.1
191.14333	4.0
199.14751	3.6
201.16321	6.3
203.18024	7.3
205.15871	25.0
215.14362	3.5
219.17493	6.0
221.15305	3.0
221.18968	13.6
229.14301	4.1
241.14432	4.0
241.19458	21.2
259.20557	30.1
261.22180	6.8
277.21619	72.4
278.21783	5.8
295.22736	4.5
310.23300	3.5
311.22223	3.1
332.17426	3.2
333.24252	4.6
351.25320	82.1
352.25446	7.6
369.26172	13.7
369.31689	12.8
369.42822	5.5
370.33395	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01866	9.0
55.05510	34.0
57.03437	47.8
57.07078	21.6
59.05008	2.5
64.10444	2.0
65.03941	3.7
67.05503	86.7
68.05855	3.6
69.07069	35.3
69.73801	5.1
69.74187	5.6
71.05004	5.4
71.08638	6.0
72.08141	2.5
74.26749	2.4
75.04492	3.7
79.05492	70.4
81.03421	2.8
81.07057	94.8
82.07407	2.8
83.04990	8.7
83.08622	28.8
85.06550	12.3
85.10217	2.1
91.05476	51.4
93.07044	98.2
95.04971	13.4
95.08607	79.2
97.06538	17.5
97.10159	20.2
99.08112	13.8
105.04536	3.0
105.07032	55.7
106.07361	3.0
107.04984	2.9
107.08595	70.9
109.06527	11.9
109.10161	43.9
111.08093	5.2
111.11773	2.9
117.07012	17.3
119.08577	46.3
121.06504	2.9
121.10149	58.1
121.10986	4.5
123.08065	10.9
123.11733	10.0
125.09608	11.1
129.07010	4.5
131.07042	8.8
131.08577	25.5
133.10126	38.7
135.08054	3.4
135.11697	44.7
137.09647	8.0
137.13269	2.3
139.11160	3.3
141.09181	2.1
143.08537	10.0
145.10130	26.5
147.11694	29.6
149.09644	5.5
149.13266	21.9
151.11203	8.8
155.10699	2.4
157.10123	7.5
159.11708	23.3
161.13268	18.7
163.11198	7.5
163.14796	6.0
165.12788	6.7
171.11676	10.5
173.11887	3.5
173.13179	10.4
175.14844	9.6
179.14317	11.2
181.12206	3.0
185.13281	9.4
187.14822	32.3
189.11290	7.6
189.12752	3.0
195.13930	2.9
199.14893	3.6
201.16379	5.8
203.18037	5.6
205.15828	15.9
209.11812	3.0
213.16451	2.4
219.17432	4.5
221.19026	11.3
221.29056	2.0
227.12823	5.5
231.21091	3.3
237.11203	6.7
241.19556	19.2
245.13934	3.6
249.22124	2.2
259.20569	43.1
260.20990	2.8
277.21634	100.0
278.22006	5.6
293.17487	8.8
295.22781	3.3
311.22302	2.3
333.24146	3.5
351.25269	84.7
352.25555	4.6
369.26196	11.1
369.30930	9.3
369.35703	2.6
370.33151	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Cortol
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	4.0
55.05512	34.1
57.03431	8.3
57.07071	5.4
65.03928	2.1
67.05504	75.3
69.07069	20.9
69.29497	11.8
71.04987	4.5
71.08636	41.3
75.55849	2.6
79.05491	51.4
81.03414	5.5
81.07059	65.2
81.07501	4.6
83.04968	9.7
83.08627	18.2
85.06551	4.1
91.05486	34.3
93.07046	72.6
93.07607	4.8
95.04969	16.7
95.08609	45.0
97.06541	8.5
97.10172	10.5
99.08099	29.2
105.04507	3.9
105.07027	28.1
107.04993	5.9
107.08598	51.1
109.06516	10.8
109.10168	33.4
111.08059	4.8
113.09676	3.3
117.07028	5.1
119.08585	22.8
121.06508	4.0
121.10146	36.4
123.08067	5.7
123.11724	4.2
125.09653	5.9
129.07013	3.8
131.08598	8.6
133.10127	18.6
135.08087	3.3
135.11685	40.6
136.12009	3.1
137.09622	5.4
141.09132	4.1
143.08556	3.9
145.10161	8.5
147.11667	12.1
149.13278	13.1
151.11179	14.8
159.11728	6.4
161.13280	12.0
163.11185	7.9
163.14871	3.1
165.12776	16.4
171.11722	3.2
173.11845	2.5
173.13306	4.0
175.14815	3.5
177.12741	6.3
177.38884	2.6
179.14308	93.7
180.14706	3.7
185.13313	4.3
187.14784	2.5
189.11220	4.3
195.13805	5.6
199.14825	2.5
221.15454	3.3
222.39674	2.4
227.12758	4.5
235.16934	4.1
241.19411	3.9
245.13770	3.4
259.20459	11.1
261.22235	4.0
277.21628	71.4
278.22018	5.1
289.21603	19.9
293.17517	3.1
307.22635	5.9
333.24146	9.3
351.25284	100.0
352.25537	6.5
369.19946	5.1
369.26343	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87309	3.3
53.03946	11.1
55.01864	5.8
55.05505	23.9
57.03428	4.5
57.07071	19.3
67.05507	57.9
69.07064	46.5
71.04954	4.1
71.08640	6.2
72.08160	4.8
77.11647	3.0
79.05486	42.6
80.84521	3.4
81.03416	50.4
81.07055	56.7
81.43566	3.1
83.04983	17.1
83.08625	16.6
89.09009	3.0
91.05474	19.6
93.07047	36.8
95.04972	36.4
95.08601	26.2
97.06534	5.8
97.10165	14.2
99.08116	6.7
105.07023	22.7
107.04928	3.8
107.08584	37.2
109.06516	8.7
109.10168	18.3
111.08091	3.1
117.06995	4.1
119.08632	15.0
121.06536	4.5
121.10142	9.4
123.08119	3.5
123.11695	7.1
125.09631	9.7
129.06973	5.1
131.08620	6.7
133.10138	23.0
135.08064	5.0
135.11700	11.7
145.10130	7.8
147.11717	13.6
149.13293	5.9
151.11169	36.7
153.09113	4.7
157.10112	6.9
161.13255	11.1
165.12753	12.9
171.11711	6.4
173.13307	3.5
175.11095	4.3
175.14801	4.7
179.14386	4.6
189.12723	3.9
207.13829	6.2
209.60962	3.1
231.21082	8.5
247.84964	3.3
259.20618	6.7
277.21613	100.0
278.21979	7.4
289.21524	5.9
351.25293	79.7
352.25638	6.0
352.32147	4.3
368.42371	4.2
369.24252	7.9
369.30014	5.5
369.35791	6.9
370.33124	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46463	3.1
53.03944	4.3
55.01865	18.0
55.05514	73.2
57.03444	26.0
57.07074	6.2
67.05154	6.3
67.05501	77.8
69.07076	34.4
69.49403	16.5
71.04990	6.3
71.08633	57.4
79.05494	37.3
80.94840	9.3
81.07055	100.0
82.94540	5.3
83.04972	11.3
83.08619	59.4
85.06542	7.4
85.10157	5.0
91.05485	37.8
93.07046	45.4
95.04949	11.0
95.08604	59.4
97.06546	17.2
97.10156	8.3
99.08085	41.2
105.07021	38.0
107.08601	26.3
109.06517	8.8
109.10148	14.6
111.08099	26.4
113.09623	10.3
117.07008	5.7
119.08579	36.1
121.10156	27.5
123.08057	5.1
123.11707	17.5
125.09631	7.2
127.11256	3.9
129.06973	4.8
131.08557	6.6
133.10136	17.3
135.11681	13.6
137.05986	13.0
137.09584	5.6
139.11240	8.6
141.09184	4.0
145.10162	8.8
147.11655	41.5
149.09608	8.8
149.13248	19.0
151.11177	13.4
157.10127	8.3
159.11688	4.4
161.13243	14.7
163.11154	7.8
164.91954	4.8
165.12741	32.7
167.14320	5.4
173.13261	4.3
175.11180	5.6
175.14825	5.2
179.14325	10.4
185.13434	3.8
189.12845	4.7
212.93585	4.2
220.36310	3.4
259.20596	11.0
264.77823	3.4
274.59515	4.0
277.18390	6.3
277.21613	84.6
278.21826	5.1
295.22650	14.0
296.86337	3.7
351.25159	15.1
369.26337	90.3
370.26852	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01872	25.6
55.05262	3.7
55.05512	66.1
57.03434	23.9
57.07068	11.2
65.03947	2.9
67.05161	4.6
67.05507	73.3
69.03421	5.1
69.07064	28.5
69.34850	3.6
69.35260	9.3
70.06588	3.0
71.04990	7.6
71.08632	43.0
72.08167	4.2
79.05488	43.3
81.03397	2.8
81.07054	92.2
81.83028	2.7
82.07368	2.9
83.04981	11.7
83.08621	41.6
85.06538	7.1
85.10174	9.9
91.05476	38.0
93.07037	49.8
95.04974	15.6
95.08608	47.1
96.34969	2.4
97.06539	16.3
97.10156	5.2
98.22717	5.2
99.08089	39.3
105.07032	36.7
107.04960	7.7
107.08596	28.4
109.06506	12.8
109.10160	17.8
111.08080	34.7
111.11765	2.8
113.09639	16.5
117.06992	3.3
119.08597	25.6
121.10130	23.6
123.08078	9.2
123.11680	14.4
125.09604	3.7
127.11156	3.3
129.07002	6.8
131.08578	8.3
133.10121	21.6
134.10457	2.7
135.11691	12.7
137.09595	4.0
137.13210	3.5
139.11176	7.0
143.08609	4.6
145.10133	7.6
147.11687	37.6
149.09602	10.1
149.13229	16.1
151.11212	14.4
157.10115	5.0
159.11713	6.9
161.13243	12.4
163.11160	6.9
165.12761	34.1
167.14368	3.1
171.11670	5.8
173.13309	2.8
175.11198	7.0
175.14842	6.3
179.14308	10.1
185.13200	4.7
193.12247	2.6
193.15868	4.0
197.59669	2.8
199.14786	3.4
221.15402	3.2
231.21107	5.5
232.96541	3.0
241.19582	3.9
243.45461	2.7
249.22089	6.5
259.20450	12.1
277.21619	100.0
278.21878	4.8
295.22620	13.7
296.17969	2.6
349.15674	2.8
351.25314	32.1
352.31976	3.9
369.14520	11.4
369.26407	72.1
369.31363	6.0
370.27005	11.1
370.33197	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59019	3.5
53.03941	5.2
55.01871	14.0
55.05514	65.7
57.03437	25.9
57.07083	7.5
57.38382	2.9
58.84548	3.0
61.02945	3.7
65.03955	4.1
67.05503	91.0
69.03420	8.5
69.07069	38.5
70.06586	3.4
71.04996	11.7
71.08633	44.7
72.08175	6.6
79.05495	45.5
81.03433	11.5
81.07058	100.0
82.07385	5.5
83.04991	13.9
83.08620	52.0
84.08141	5.1
84.36912	3.0
85.02910	25.5
85.06568	7.1
86.03228	6.0
91.05482	49.3
93.07047	55.0
94.07401	4.0
95.04988	12.5
95.08605	51.7
97.06527	21.3
97.10171	12.9
98.06866	3.2
98.09696	7.2
99.04472	4.8
99.08094	46.1
99.10036	4.1
105.07040	39.3
107.04961	2.9
107.08595	33.2
109.06519	8.6
109.10166	25.2
110.09715	7.2
110.10442	2.8
111.08099	16.7
111.11772	3.1
113.09632	9.7
117.07027	8.5
119.04965	9.7
119.08581	27.0
120.08967	4.2
121.10140	28.4
123.08109	8.1
123.11706	19.3
125.09669	6.4
127.03943	5.3
127.07650	3.1
128.10710	20.1
129.07002	4.6
129.11037	5.6
131.08575	8.6
133.06480	3.9
133.10126	25.1
135.08008	3.5
135.11676	15.8
137.05995	8.8
137.09663	4.8
137.13254	5.0
139.11137	7.5
143.08510	3.2
145.04976	7.3
145.10205	8.2
146.05347	4.1
147.04411	6.5
147.11662	37.9
147.12714	3.9
149.09589	6.4
149.13281	19.7
149.14296	3.3
151.11183	24.3
153.12801	4.2
157.10106	7.8
159.11671	7.4
161.13248	16.0
163.11198	12.2
165.09106	3.3
165.12756	25.0
171.11736	6.2
173.11819	5.9
175.03934	13.6
175.11201	4.6
179.14371	9.5
189.12825	3.6
195.13786	6.7
207.06546	20.6
211.37482	3.6
241.19539	7.4
249.22089	5.6
254.94658	3.7
259.20605	12.8
269.17523	11.8
277.21634	76.1
278.21982	5.4
295.22699	12.7
299.55444	3.1
351.10574	4.3
351.25317	20.9
351.30786	8.7
369.18771	7.4
369.22275	6.4
369.26508	66.5
369.31943	58.6
370.23068	5.8
370.29782	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61694	20.3
51.97565	17.1
55.05503	69.4
55.47683	20.7
56.22258	21.8
57.03429	37.2
60.64877	21.1
67.05499	74.5
69.07056	27.8
70.63064	23.0
71.08594	26.4
79.05492	46.1
80.94873	19.8
81.07046	70.0
83.08598	54.6
89.97950	17.7
91.05470	25.9
93.07026	48.6
93.83512	19.2
95.08598	60.0
97.06477	22.4
99.08102	34.7
104.99300	22.5
105.07049	29.8
107.08628	24.2
108.97953	20.0
109.10146	29.8
111.08079	22.6
119.08558	32.6
133.10117	24.4
147.11681	25.7
165.12700	21.8
186.29556	22.4
252.33817	23.9
254.94571	25.0
277.21573	100.0
298.76526	20.8
347.66623	24.8
351.25247	27.1
369.26538	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49354	0.6
69.07068	0.8
70.06604	3.3
71.03333	0.7
72.08176	0.7
86.09703	100.0
87.10037	1.4
94.99827	0.6
97.02884	0.9
98.97576	1.9
110.07146	3.0
116.98563	1.0
119.01044	1.0
120.96607	1.7
132.10199	81.7
133.10532	2.3
136.06175	3.3
156.07672	0.7
156.97493	1.1
158.04393	3.2
188.99228	1.7
207.00241	2.1
214.97116	1.6
216.98703	1.4
219.02010	0.8
224.05507	0.7
232.98260	4.7
234.99687	2.9
250.09315	0.6
250.97260	1.0
256.00769	3.0
270.05811	1.8
274.01749	4.2
288.06604	0.8
292.02682	0.6
309.65039	0.7
310.04193	1.2
322.88016	0.6
328.05472	4.2
330.06982	1.7
346.06610	12.3
347.05508	1.0
348.04282	0.9
348.08090	1.3
352.04514	0.7
360.65448	0.7
365.05609	1.0
370.05167	1.8
370.16907	0.6
370.22601	3.1
370.26624	0.6
388.04968	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	370.1763
Annotation	Gly Phe Phe
Peak:m/z	Relative Intensity
55.05511	0.3
67.05511	0.5
69.07041	0.3
69.53316	1.1
70.06593	0.7
70.53896	0.3
79.05509	0.8
81.07069	0.8
84.08167	0.3
85.02879	0.4
91.05485	0.9
93.07044	1.7
95.04958	0.5
95.08607	0.5
96.08139	0.4
98.09664	0.5
103.05462	3.0
105.07015	0.5
109.06448	0.3
110.09674	0.7
114.09168	1.6
119.08626	0.4
120.08102	100.0
121.08417	2.7
121.10121	0.3
128.10713	3.3
129.11067	1.3
137.09599	0.3
148.07584	0.3
149.05991	0.5
165.12724	0.5
166.08633	11.7
167.09003	0.3
177.10226	36.1
178.10541	1.4
205.09727	7.9
205.11572	0.6
209.15334	0.7
218.47435	0.2
233.97536	0.3
259.64011	0.3
313.15460	0.8
334.23532	0.4
352.24780	1.0
369.28159	0.6
370.25470	3.5
370.29367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05518	1.9
56.05033	1.1
57.03444	3.4
58.06596	1.5
59.56166	0.5
67.05505	5.2
67.29736	0.5
68.05010	0.6
69.03409	0.7
69.07079	2.8
69.58292	1.0
69.58684	1.0
70.06593	8.5
71.04978	1.8
72.04505	0.6
72.08151	4.6
79.05502	8.3
81.03378	0.5
81.05791	0.7
81.07054	6.1
82.06566	1.2
83.04980	1.7
83.06112	0.5
84.04479	0.8
84.08147	2.9
85.02893	1.2
85.06538	0.9
86.09717	3.6
87.04462	3.9
91.05467	5.5
93.07037	5.8
94.06565	0.9
95.04986	2.6
95.08616	4.6
96.08137	9.3
97.06551	4.7
98.09694	12.2
98.22746	1.0
99.04470	0.7
99.08094	1.9
103.05465	2.1
105.07033	4.0
107.04954	1.3
107.08608	3.0
108.08127	1.5
109.06573	1.3
109.10143	1.4
110.07171	1.8
110.09692	1.8
111.04455	1.4
113.06033	1.0
114.09172	31.3
115.03918	1.7
115.08685	0.6
115.09530	0.7
117.07034	3.0
119.08592	3.1
120.08107	37.1
121.08423	1.1
121.10146	2.3
123.08053	2.0
125.06045	0.7
125.09638	1.3
126.09161	0.8
128.10744	0.6
129.07021	0.9
130.08607	0.7
131.08582	4.7
133.06497	0.7
133.10143	2.1
135.08089	1.4
136.11182	0.5
142.12260	6.1
143.08638	0.6
145.10130	1.5
149.09612	2.8
151.07610	1.1
153.09103	1.4
157.10178	1.2
159.11751	0.9
165.89659	0.6
168.13881	0.9
170.11823	1.4
173.13210	0.8
177.09120	1.0
186.11252	1.9
195.10277	0.6
223.10730	2.0
226.11670	0.6
229.14240	0.9
267.14944	7.5
295.14481	1.2
327.21866	0.7
334.23770	2.6
352.14560	0.7
352.20770	1.1
352.24808	10.4
352.28616	0.5
357.25702	0.6
370.16141	3.2
370.25891	100.0
371.16803	9.3
371.25720	7.1
371.29941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.1
56.92515	0.9
57.03426	3.5
57.07071	1.9
58.06599	2.1
67.05502	4.4
68.06832	0.8
68.56522	0.9
69.07056	4.4
69.18944	5.9
70.06591	1.0
71.04990	1.0
71.08617	1.6
72.08154	8.2
74.91335	1.0
79.05509	4.6
81.03423	1.0
81.07053	9.6
82.07392	1.1
83.08606	3.2
84.08146	1.7
84.08932	1.6
85.10213	0.9
90.11644	0.9
91.05476	5.7
93.07038	3.1
94.07370	1.0
95.04939	2.2
95.08601	6.1
97.06530	1.9
98.09671	9.8
99.08101	2.0
99.08991	0.9
99.10039	1.0
99.94767	0.9
105.07031	1.9
107.08593	2.3
108.08914	1.3
109.06489	0.9
109.10174	1.4
113.09587	0.9
115.05441	2.6
119.08589	2.1
121.10096	1.8
127.22271	0.9
128.06200	2.6
128.10695	1.3
129.06966	1.8
141.06972	3.4
142.12251	4.7
149.13258	1.4
153.06949	2.6
154.07713	1.4
156.13838	1.2
165.06998	1.1
167.08517	1.2
169.10208	1.0
228.47536	0.9
252.87302	1.0
278.21939	2.6
352.26074	11.2
352.32086	11.6
370.27188	100.0
370.32965	17.9
371.27527	9.6
371.33362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	73.7
69.63064	100.0
79.05485	48.8
81.07052	86.9
88.31402	28.9
93.07018	39.2
95.08605	65.7
101.68834	28.5
114.96049	33.4
118.07439	28.7
121.10058	38.7
146.27303	26.1
150.06329	43.0
159.58260	38.7
164.91998	66.2
261.22073	68.7
266.72485	32.6
353.26746	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	371.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25918	5.9
61.43376	5.8
61.62828	6.2
68.47643	5.9
69.73663	22.6
70.06595	78.2
71.06964	9.0
72.08167	16.1
83.06114	8.2
84.04498	18.7
84.08135	25.5
85.02915	9.6
86.09710	25.7
90.88764	7.8
100.93486	6.7
110.07152	19.1
116.88737	6.4
126.47950	6.2
129.05450	11.1
129.10225	9.2
136.06187	9.0
155.01443	7.1
187.10797	21.2
366.64752	7.4
371.07401	100.0
371.23288	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1596
Annotation	Thioridazine
Peak:m/z	Relative Intensity
55.05527	1.7
67.05497	2.0
69.07071	1.8
71.46861	1.8
72.08150	4.3
79.05508	1.5
81.07063	3.0
81.97688	1.4
95.08613	3.1
102.09177	1.5
107.08658	1.4
109.06523	2.2
109.10154	1.3
120.88671	1.7
121.06345	1.5
121.86566	1.3
169.59793	1.4
302.08118	4.2
317.29282	1.5
320.09067	13.2
343.10776	2.2
352.31961	2.5
370.32480	7.3
371.15912	100.0
371.33249	3.0
372.16199	5.3
372.34766	2.4
381.93954	1.6
389.16129	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50338	0.5
60.05648	6.7
69.71516	1.0
69.71857	1.3
70.06250	0.7
70.06593	11.6
71.06929	0.5
72.08145	1.3
73.12131	0.5
75.07953	0.5
75.37974	0.5
75.69833	0.5
80.19732	0.5
83.00958	0.9
86.09681	1.9
87.10010	0.9
95.06037	0.6
97.07642	1.0
98.97590	1.3
101.01994	1.5
103.37830	0.5
106.63041	0.5
112.03576	1.9
112.08684	1.2
116.07088	4.0
118.04633	1.1
127.07175	0.7
130.04628	1.0
130.09761	2.5
132.10197	1.5
133.10524	0.9
134.05606	0.5
137.05644	1.0
137.06828	1.5
138.05220	2.2
142.08229	2.0
144.05078	0.5
152.06693	1.6
153.05046	1.2
153.09891	0.7
154.08261	1.9
155.06642	7.4
155.07785	0.7
155.31844	0.6
156.06891	0.6
158.07817	0.6
158.09216	2.0
160.09296	1.5
162.06352	0.7
163.73758	0.6
169.09349	6.3
170.07806	0.5
171.06145	1.2
171.10895	13.9
172.09293	4.2
172.10809	1.1
173.07724	13.1
173.09158	0.5
175.11903	10.7
176.12238	0.6
179.07796	0.6
179.09065	6.6
180.06059	0.7
180.07423	2.0
186.07092	0.7
187.10419	3.2
189.11955	9.2
196.09256	1.3
197.10170	18.7
198.07185	1.7
206.11385	0.7
215.09879	16.7
215.11937	0.9
216.08250	2.8
216.10085	1.0
216.98659	1.4
217.08340	0.7
221.12498	1.4
222.10826	6.9
224.12431	7.5
233.10783	4.7
233.12820	0.5
234.10892	5.4
234.99779	1.6
235.11133	0.7
238.10426	0.7
239.13510	3.2
240.11906	14.8
240.14211	0.9
241.12096	1.6
249.11967	1.8
251.10951	1.2
251.13516	18.3
252.11684	2.9
252.14067	1.1
265.11444	0.6
266.14658	2.6
267.13071	3.6
268.13223	0.6
268.16187	0.9
269.14575	100.0
270.12653	3.1
270.14780	6.9
276.13068	1.5
293.15756	4.2
294.13974	5.5
311.16721	43.4
312.17267	4.4
322.26889	0.5
328.00201	0.6
330.03296	0.6
330.07080	1.6
335.17566	0.6
336.16147	2.4
348.07941	1.3
353.18942	26.1
354.19461	2.8
371.19983	78.0
372.20126	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	371.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	5.4
70.06590	10.5
71.44312	0.4
72.08155	0.4
83.00947	1.2
88.35225	0.5
96.08005	0.4
97.07657	0.7
101.02009	1.1
112.03610	1.5
112.08718	1.4
115.08701	0.6
116.07103	3.8
118.04626	0.4
130.04613	1.0
130.09769	1.4
132.06163	0.6
137.05592	0.8
137.06837	1.5
138.05231	1.8
142.08234	1.7
144.05084	0.5
152.06679	1.1
153.05112	0.7
153.09875	0.5
154.08260	1.5
154.13350	0.5
155.06631	6.8
156.05043	0.8
157.10843	0.8
158.09215	2.2
160.09219	0.8
162.06340	0.6
168.06189	1.0
169.09338	4.6
170.07744	1.2
170.09349	0.4
171.06096	0.7
171.10915	11.0
172.09326	3.0
172.10794	0.7
173.07729	12.9
175.11897	9.2
179.07706	0.5
179.09044	7.2
180.06088	0.9
180.07462	1.6
186.07414	0.4
187.07356	0.4
187.10408	2.3
189.11971	7.4
190.12027	0.6
195.09755	0.6
196.09352	1.3
197.10181	17.3
198.07263	1.5
198.10451	0.7
206.11452	0.5
215.09897	13.0
216.08260	3.0
216.10086	1.0
216.94226	0.5
221.12442	0.7
222.10857	6.7
223.09285	0.6
223.11171	0.5
224.12445	5.5
225.12589	0.7
233.10789	3.9
233.22469	0.4
234.10872	4.0
235.11124	0.7
239.11214	0.6
239.13472	3.0
240.11916	15.3
241.12151	1.1
241.14439	0.4
248.13652	0.7
249.12059	1.6
251.13512	19.2
252.11644	3.5
252.14200	0.6
264.13226	0.4
265.11447	0.5
266.14633	1.7
267.12952	3.0
268.16238	0.5
269.14581	100.0
270.12650	3.3
270.15289	8.3
271.13104	0.7
276.13104	1.8
277.11542	0.6
288.59653	0.4
293.15683	4.4
294.13995	5.6
295.12277	0.5
311.16739	35.7
312.17325	3.4
329.17770	0.7
335.17914	0.7
336.16129	1.9
353.18930	22.8
354.19461	2.3
371.19977	72.4
372.20166	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03933	1.9
55.01863	1.3
55.05500	2.8
56.05035	0.9
57.03429	2.9
57.07066	1.6
59.04999	0.9
59.31314	0.6
61.02929	3.0
67.05508	5.3
69.03433	13.5
69.07076	3.3
70.06599	3.9
71.04990	2.7
72.08150	1.7
73.02917	1.3
73.26787	0.6
74.79107	0.5
75.55711	0.7
79.05477	4.1
80.70624	0.6
81.03420	7.8
81.07055	6.5
83.04995	3.4
83.08585	1.0
84.08134	1.0
85.02910	29.5
85.06539	0.8
86.03256	0.8
86.09717	1.2
87.04452	1.6
91.03970	1.1
91.05486	3.6
93.07053	5.4
95.04970	4.7
95.08605	7.0
96.08113	2.4
97.02892	9.2
97.06503	1.2
98.09689	2.1
99.04433	1.5
99.08103	1.5
105.07030	5.8
107.04967	1.1
107.08607	9.4
109.02881	2.8
109.06529	4.9
109.10145	2.6
111.04440	1.7
111.08103	0.7
114.09173	4.0
117.07053	0.9
119.08612	4.2
120.07310	1.3
120.08117	19.3
121.06522	1.8
121.07652	0.8
121.08456	11.8
121.10146	9.4
122.07258	1.0
123.08093	5.6
123.11700	2.8
125.09599	0.8
127.03902	6.3
128.10721	1.9
129.05486	1.1
129.06921	0.6
131.08603	2.1
133.10118	6.1
135.08073	3.2
135.11708	1.8
137.09613	9.5
137.13287	1.0
142.12248	1.2
145.04999	5.8
145.10136	1.4
147.04388	0.8
147.11702	3.0
149.09618	9.9
149.13286	5.9
150.09937	0.9
151.11182	19.7
156.10156	2.0
158.10909	1.2
163.14810	1.2
165.12759	38.0
166.08636	2.4
166.13092	1.7
167.08980	1.9
168.13863	1.0
173.13280	4.3
176.80669	0.8
177.10242	6.6
178.10588	5.3
191.14299	18.7
192.14650	0.9
193.15877	2.1
205.09796	1.4
206.10086	1.7
209.15373	100.0
210.15788	4.1
270.20795	0.7
318.52271	0.7
336.25311	1.2
354.22787	0.7
354.26477	4.3
371.16965	3.5
371.24213	3.2
371.29715	5.3
372.27481	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01863	1.3
55.05500	2.8
56.05035	0.9
57.03429	2.9
57.07066	1.6
59.04999	0.9
59.31314	0.6
61.02929	3.0
67.05508	5.3
69.03433	13.5
69.07076	3.3
70.06599	3.9
71.04990	2.7
72.08150	1.7
73.02917	1.3
73.26787	0.6
74.79107	0.5
75.55711	0.7
79.05477	4.1
80.70624	0.6
81.03420	7.8
81.07055	6.5
83.04995	3.4
83.08585	1.0
84.08134	1.0
85.02910	29.5
85.06539	0.8
86.03256	0.8
86.09717	1.2
87.04452	1.6
91.03970	1.1
91.05486	3.6
93.07053	5.4
95.04970	4.7
95.08605	7.0
96.08113	2.4
97.02892	9.2
97.06503	1.2
98.09689	2.1
99.04433	1.5
99.08103	1.5
105.07030	5.8
107.04967	1.1
107.08607	9.4
109.02881	2.8
109.06529	4.9
109.10145	2.6
111.04440	1.7
111.08103	0.7
114.09173	4.0
117.07053	0.9
119.08612	4.2
120.07310	1.3
120.08117	19.3
121.06522	1.8
121.07652	0.8
121.08456	11.8
121.10146	9.4
122.07258	1.0
123.08093	5.6
123.11700	2.8
125.09599	0.8
127.03902	6.3
128.10721	1.9
129.05486	1.1
129.06921	0.6
131.08603	2.1
133.10118	6.1
135.08073	3.2
135.11708	1.8
137.09613	9.5
137.13287	1.0
142.12248	1.2
145.04999	5.8
145.10136	1.4
147.04388	0.8
147.11702	3.0
149.09618	9.9
149.13286	5.9
150.09937	0.9
151.11182	19.7
156.10156	2.0
158.10909	1.2
163.14810	1.2
165.12759	38.0
166.08636	2.4
166.13092	1.7
167.08980	1.9
168.13863	1.0
173.13280	4.3
176.80669	0.8
177.10242	6.6
178.10588	5.3
191.14299	18.7
192.14650	0.9
193.15877	2.1
205.09796	1.4
206.10086	1.7
209.15373	100.0
210.15788	4.1
270.20795	0.7
318.52271	0.7
336.25311	1.2
354.22787	0.7
354.26477	4.3
371.16965	3.5
371.24213	3.2
371.29715	5.3
372.27481	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	371.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22231	0.3
54.46863	0.3
55.05501	1.0
56.05033	0.8
57.05814	0.4
57.07060	0.6
58.06596	1.4
60.05649	0.3
67.05495	0.5
68.94621	0.3
69.03432	0.7
69.06718	0.4
69.07072	6.8
70.06595	25.1
71.06888	0.3
71.43385	0.3
72.08160	9.0
79.05509	0.4
81.03419	0.4
81.07058	1.0
83.04972	0.5
83.08620	0.5
84.04514	1.7
84.08127	1.7
84.12319	0.3
85.02890	0.5
85.06528	0.5
86.09709	100.0
87.10044	2.2
91.05441	0.7
93.07037	0.8
95.04967	1.7
95.08604	0.6
97.02906	0.4
98.06092	0.5
98.09689	1.1
105.07024	0.6
107.08597	0.9
109.06515	1.2
109.10168	0.8
110.09670	0.4
111.04446	0.6
111.08095	0.7
114.09157	0.5
115.08696	8.3
115.09498	0.5
116.07094	31.3
119.08482	0.3
121.06426	0.4
121.10201	0.7
128.10735	1.3
129.05484	0.4
129.10262	2.1
130.05060	0.3
130.08699	0.5
133.10159	0.5
135.11720	0.5
136.07663	0.4
137.02458	0.4
141.10268	0.6
143.08170	7.1
144.06557	0.7
144.08441	0.4
147.06532	0.5
148.06096	0.5
149.13335	0.5
153.05508	0.6
156.13811	0.6
157.09726	0.5
157.13341	0.5
160.30678	0.3
161.09232	0.4
163.03952	0.8
169.09752	0.8
173.13245	0.6
183.14888	0.6
191.14331	0.5
193.04982	0.7
197.12968	0.5
200.10146	0.3
201.12318	0.4
207.06538	0.5
209.07887	4.6
209.15417	0.8
211.10960	0.3
211.14392	4.2
211.15961	0.3
212.14757	0.4
215.13945	3.6
215.87296	0.3
228.17047	1.1
229.15453	5.2
239.06743	0.3
254.15085	0.4
256.16595	9.0
256.18765	0.4
257.16739	0.3
258.14645	1.0
258.50900	0.3
371.12967	1.3
371.16876	14.3
371.24057	1.9
371.29105	2.0
372.13763	2.0
372.17590	0.6
372.23730	2.0
372.27872	0.6
391.06857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01870	3.3
55.05515	36.1
57.03435	21.7
57.07076	14.9
58.65036	1.5
59.27339	1.3
60.27348	1.4
62.16397	1.6
65.03938	2.2
67.05506	75.4
67.91998	1.4
69.07068	28.0
69.74714	4.1
69.75060	2.0
71.04994	6.0
71.08632	28.7
73.06590	1.6
79.05495	30.0
80.05823	1.7
81.07059	100.0
82.07394	4.0
83.04990	5.4
83.08621	22.7
85.06545	6.0
85.10184	23.6
85.40375	1.4
88.42495	1.4
91.05488	23.9
93.06469	1.2
93.07045	32.5
95.04974	3.1
95.08609	75.6
96.08924	3.4
97.06537	8.6
97.10158	9.0
99.08096	26.6
101.06002	2.0
105.04489	1.7
105.07029	18.3
107.08604	21.4
109.06541	3.4
109.10165	24.8
110.10480	1.4
111.08092	4.5
111.11725	1.8
113.09647	33.8
117.07049	3.9
119.08579	15.0
121.10136	14.2
123.08092	3.4
123.11722	13.2
125.09592	1.5
127.07578	1.8
131.08560	8.5
133.10132	16.7
135.11690	12.4
137.13222	9.3
139.11168	1.9
141.12831	1.7
145.10152	5.6
147.11670	20.9
148.12077	1.6
149.09584	2.5
149.13286	12.1
151.11159	3.2
151.14870	4.3
153.12775	4.7
155.24857	1.4
159.11707	3.6
161.13232	10.3
163.11212	3.5
163.14833	6.8
165.12773	7.6
167.14355	6.9
173.11841	1.7
173.13277	3.7
177.12839	1.8
177.16341	1.6
179.14304	7.4
181.15930	3.5
187.14938	2.3
192.30092	1.5
195.13795	3.2
209.15363	2.2
221.62108	1.8
223.17038	1.9
233.22638	2.7
243.21164	10.4
243.37956	1.5
250.45244	1.9
253.18010	5.8
261.22153	13.9
266.76328	1.8
269.17593	2.5
279.23209	53.0
280.23572	2.4
353.26920	24.4
353.31415	3.0
354.26801	1.9
354.33633	2.7
371.15753	2.7
371.27844	47.6
371.33377	6.6
372.24127	3.1
372.28537	11.6
376.52563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35881	3.1
55.05508	13.9
56.05025	12.5
57.07070	4.8
57.13160	3.1
58.06596	4.4
61.74654	2.9
67.05498	28.6
68.22027	3.2
69.07066	21.6
69.48016	5.9
69.48395	7.5
71.04990	4.1
71.08636	50.7
74.06081	5.6
78.27641	3.4
79.05496	10.4
81.07059	35.0
83.04986	5.3
83.08617	10.1
85.10164	4.6
87.04469	4.4
88.07628	36.1
91.05485	12.4
93.07062	10.7
95.08593	24.4
97.10168	6.0
99.08088	39.6
105.07030	11.0
107.08597	10.5
109.10163	11.2
113.09674	6.5
118.08694	4.5
119.08575	9.5
121.10157	9.0
135.11696	6.1
139.11084	3.6
147.06459	4.2
147.11696	34.0
149.13232	4.5
153.12726	6.7
154.30763	3.5
163.14824	13.1
165.12775	11.0
173.11673	3.9
173.13141	3.3
181.15845	5.8
195.13341	2.9
243.21046	10.6
246.79494	3.5
261.22110	15.6
271.20032	3.4
279.23236	44.2
280.23590	5.0
310.45856	3.4
324.32693	24.0
353.26901	29.0
371.17816	3.9
371.27707	4.6
372.30334	5.9
372.34729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05508	30.0
57.03432	9.1
57.07068	6.0
57.33685	1.6
65.03942	2.5
67.05506	66.0
67.05866	3.5
68.98697	1.7
69.03412	2.4
69.06707	2.8
69.07067	30.1
71.05005	5.4
71.08633	100.0
72.08955	2.2
72.72491	1.9
79.05489	35.5
81.07058	89.2
83.04976	9.7
83.08609	17.2
85.06526	5.6
87.04459	3.6
88.07612	3.0
91.05476	24.0
93.07049	32.1
95.04971	2.3
95.08606	58.4
96.08976	2.1
97.06522	9.7
97.10177	19.9
99.07450	4.1
99.08096	79.0
100.08437	2.4
105.07027	22.1
107.08597	25.6
109.06527	3.8
109.10156	27.1
111.08075	7.3
117.06986	2.8
117.09139	2.9
119.08579	14.6
121.10148	19.5
123.08051	3.6
123.11703	13.1
125.09660	8.4
127.11209	3.2
131.08568	10.1
133.10147	6.3
135.11674	20.3
137.13235	9.7
145.10094	8.5
147.11688	54.1
148.12117	2.7
149.13234	4.0
151.11142	3.2
151.14842	4.3
153.12749	14.0
159.11716	4.8
159.47641	1.7
161.13251	5.9
163.11143	10.9
163.14835	18.7
165.12752	21.5
167.14296	5.8
169.12209	2.6
173.11761	11.4
173.13275	8.8
175.14853	2.4
177.12875	2.7
177.16476	2.0
179.14346	2.7
181.12398	2.6
181.15858	8.1
187.14842	3.8
189.11214	3.1
191.14304	2.4
208.84775	1.9
209.15553	2.1
233.22704	3.5
243.21109	18.8
245.13832	2.4
255.19540	6.8
261.22150	33.2
262.22388	2.8
279.23196	87.9
280.23462	8.6
299.40906	2.2
299.56927	2.0
324.32761	3.0
353.26843	77.0
354.27228	7.0
371.27966	6.7
371.36945	4.0
372.34750	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91986	4.7
55.01869	5.9
55.05513	38.8
57.03424	10.3
57.07069	8.9
59.05006	7.2
62.33522	5.3
67.05170	6.8
67.05505	100.0
69.07061	49.7
69.28005	23.0
71.08607	12.6
72.52375	5.0
79.05491	38.5
81.07046	98.1
83.08630	28.2
85.06519	7.8
86.42130	4.9
87.04478	14.8
88.07626	7.3
89.72120	4.7
91.05468	11.8
93.07043	42.7
95.08603	73.8
97.06522	14.7
97.10149	19.5
99.08096	6.0
105.07019	9.9
107.08605	31.3
109.10145	52.8
119.08558	6.6
121.10120	18.2
123.11714	16.4
125.09605	13.1
133.10127	9.7
135.11681	31.0
137.13220	17.5
145.10065	5.7
145.82663	6.1
147.11662	10.9
149.13152	8.7
153.12715	9.6
161.13269	7.1
173.11731	5.8
173.13211	8.6
175.14827	6.0
189.11142	11.1
209.15382	6.9
243.21008	10.7
245.13831	9.4
261.22141	40.7
279.23184	75.3
280.23389	6.1
353.26779	81.4
354.27313	11.7
371.13217	7.0
371.21680	13.8
371.27917	11.6
372.34726	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	7.8
60.98232	1.1
80.94850	3.4
87.04479	1.6
98.97594	2.0
110.97512	1.1
128.98589	2.3
167.03699	1.6
171.03319	1.5
185.04843	4.4
191.14436	1.1
199.06413	3.8
203.05949	2.6
217.07471	4.5
223.02728	2.4
237.04269	2.3
237.08093	1.1
262.08780	1.6
280.09708	3.5
298.10986	2.0
307.15860	1.3
331.15790	24.6
342.21915	1.2
343.08038	2.5
349.16864	100.0
350.17258	7.8
367.17859	2.5
372.18527	13.8
372.34442	2.4
373.13022	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	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01857	1.2
55.05293	0.5
55.05513	4.9
56.05021	1.9
57.03187	0.5
57.03441	7.9
58.06592	1.6
65.03933	0.5
66.06273	0.4
67.05157	0.8
67.05502	11.3
67.91486	0.4
68.05031	0.4
68.05840	0.5
69.03423	0.9
69.07065	8.3
70.06590	5.0
70.82340	0.5
71.04999	2.6
72.04500	1.0
72.07787	0.6
72.08156	7.4
79.05489	9.0
79.05943	0.6
81.03407	0.9
81.07056	17.2
82.06590	0.8
82.07380	0.5
83.04980	1.3
83.08608	2.3
84.08148	4.5
85.02917	0.9
85.06534	2.4
85.08903	0.6
86.09703	4.8
87.04491	0.4
91.05479	5.9
93.07050	8.2
94.07391	0.6
95.04968	15.5
95.08018	0.9
95.08602	10.2
96.08129	9.9
96.29908	0.5
97.02892	0.5
97.06532	5.0
97.10160	1.1
98.09694	12.0
99.04426	0.4
99.08095	3.4
101.05957	0.4
102.09164	2.0
105.04525	0.8
105.07036	4.3
107.04990	0.5
107.08592	5.4
108.08932	0.6
109.06507	2.7
109.10152	3.5
110.09668	0.8
110.27477	0.4
111.08066	1.3
113.05997	1.0
113.09634	1.6
114.08360	0.8
114.09167	14.0
115.05405	0.5
115.07568	0.5
117.06972	1.0
119.04964	0.6
119.08573	3.1
120.08156	0.7
121.06547	0.5
121.10136	3.2
122.09646	0.8
123.08054	1.2
123.11671	1.4
124.11219	0.9
125.09584	0.6
127.07581	1.0
128.10744	0.7
129.06982	0.8
129.10251	1.9
131.08557	1.5
133.09169	0.7
133.10123	8.3
134.10464	4.1
135.08067	0.8
135.11728	2.5
137.05966	0.7
137.09595	2.8
138.09978	1.7
141.10272	0.6
142.12274	5.0
143.08585	0.6
145.10107	1.5
147.08015	0.6
147.11661	1.3
149.09610	0.7
149.13249	1.3
151.11206	1.1
155.11745	0.8
156.10202	4.7
156.13791	0.6
157.10095	1.1
159.11656	1.0
161.09622	0.8
161.13173	0.7
163.14914	0.5
165.12807	0.5
168.17305	0.5
170.15387	1.1
173.13271	1.0
174.13521	0.7
175.11209	1.0
186.14883	1.2
187.14844	0.4
191.14307	1.0
192.14661	1.5
200.13951	1.9
228.13382	0.7
264.23105	0.8
291.19482	0.7
304.12814	0.4
309.20560	0.5
310.27298	2.0
310.53162	0.5
318.24332	1.1
328.28455	1.7
336.25336	3.6
354.26364	16.0
354.30685	0.8
355.11810	0.6
355.26794	1.2
372.27423	100.0
373.11417	0.4
373.18530	3.4
373.27759	7.1
373.31149	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.9
55.05513	3.0
56.05034	0.6
57.03438	7.1
57.07070	0.8
57.80239	0.2
58.06588	0.8
59.05002	0.7
65.03937	0.5
65.73324	0.3
67.05507	10.5
69.03426	1.6
69.06714	0.4
69.07069	6.6
69.74656	0.4
69.75005	0.8
70.06580	1.3
71.04989	3.0
71.08622	0.3
72.04514	0.9
72.07784	0.4
72.08154	5.3
79.05490	4.3
80.65797	0.2
81.03432	0.4
81.07055	13.2
82.07396	0.7
83.04978	2.2
83.08614	2.3
84.08141	2.1
85.02915	1.6
85.06535	1.6
86.09707	4.1
87.04450	0.7
91.05482	2.1
93.07045	6.6
95.04961	0.8
95.08610	13.3
96.08120	0.5
96.08908	0.4
97.06517	3.0
97.10168	0.6
98.09691	13.6
98.23498	0.3
99.08092	2.4
102.09179	0.7
105.07035	2.7
107.04939	0.3
107.08591	8.2
109.06515	2.1
109.10155	21.9
110.10479	0.6
111.04401	0.3
111.08086	2.1
113.09635	1.8
114.09126	0.5
115.07569	0.7
119.08577	9.4
121.10151	4.4
123.08057	2.8
123.11706	2.5
124.11193	0.5
125.09599	0.9
129.10225	0.9
133.10136	4.9
135.11691	21.7
136.12025	0.5
137.09616	3.6
139.11197	0.8
142.12282	7.1
143.12631	0.3
145.10135	0.6
146.11804	1.1
147.11673	1.1
149.13277	2.2
151.07491	0.3
151.11153	2.2
151.14819	2.3
153.12749	1.1
158.15419	0.6
159.11623	0.4
161.13245	0.5
163.14799	0.4
171.13828	1.6
175.14816	9.6
193.15877	14.2
194.16254	0.4
200.14003	0.8
211.16928	13.8
212.17123	0.6
228.13394	0.4
229.19417	0.3
237.43098	0.2
264.23236	0.3
265.21561	0.4
292.26367	0.6
294.27954	1.8
304.28839	0.3
310.27371	3.8
311.22278	0.4
312.28979	4.1
328.28436	7.2
338.26886	0.6
356.23608	0.3
356.27957	6.0
373.27002	5.6
373.31277	2.0
374.28992	100.0
392.18735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85370	1.7
55.05500	8.3
55.33017	1.5
56.05047	1.6
56.40667	1.4
57.03443	8.6
57.07075	2.0
67.05507	14.7
69.03431	4.7
69.07066	13.6
70.06602	1.8
70.77757	2.8
71.04987	3.8
72.08150	5.8
79.05486	3.6
81.07053	20.2
82.07380	1.9
83.04992	7.4
83.08614	3.4
84.08159	2.9
85.02890	3.6
85.06541	3.7
86.09719	5.9
91.05495	3.5
93.07066	8.8
95.08614	25.7
96.33985	1.4
97.06535	3.8
98.09687	14.2
99.08093	4.9
105.07044	5.1
107.08613	15.3
109.06516	5.6
109.10154	65.6
109.10893	3.4
111.08107	2.8
113.09662	2.9
119.08582	21.5
121.10157	11.2
123.08047	7.9
123.11690	6.5
125.09657	2.5
129.10210	2.9
131.08603	1.5
133.10139	12.4
135.11685	56.7
137.09625	7.3
142.12253	7.6
147.11667	1.8
149.13240	3.6
151.11194	4.0
151.14838	5.7
153.12694	2.2
165.16365	2.1
165.94533	2.0
175.14812	24.9
185.11470	1.5
187.13248	1.8
193.15877	32.6
207.08449	1.6
211.16924	53.6
212.17368	2.0
218.79990	1.6
241.02782	1.6
249.37061	1.6
294.27933	2.8
310.27396	5.7
312.28952	5.3
328.28406	6.3
333.88104	1.5
352.35251	1.6
356.28021	8.3
373.27475	5.5
373.31180	3.7
374.28995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08337	0.5
55.01874	0.8
55.05507	3.4
56.04778	0.8
56.05035	6.3
57.03443	4.8
57.07080	0.7
58.06586	1.3
67.05505	7.7
68.05023	0.5
69.06706	0.8
69.07066	10.8
69.49299	0.7
69.49635	1.9
70.06591	7.2
70.91696	0.5
71.04980	1.7
72.04546	0.7
72.08153	8.7
72.08524	1.1
79.05487	5.2
81.07050	9.2
82.06595	0.7
83.05000	1.1
83.06102	32.4
83.08597	1.1
84.04504	38.3
84.08140	18.6
85.06541	1.5
85.55051	0.6
86.09705	89.7
87.10047	1.4
91.05466	3.5
93.07044	6.1
94.06635	0.6
95.04955	1.2
95.08604	8.8
96.04504	1.7
96.08132	1.0
97.06535	5.6
97.10161	0.9
98.09687	16.6
98.22705	0.6
99.04492	0.6
99.05576	2.1
99.08104	2.6
100.11272	1.0
101.07149	6.6
101.10823	0.6
101.11567	0.7
102.09178	1.3
105.07030	2.6
107.08587	3.6
109.06541	0.9
109.10152	2.9
110.09676	1.3
111.04398	0.7
111.08101	0.9
112.03932	0.6
112.11244	0.6
113.07143	2.2
113.09641	1.4
114.23306	0.6
116.07108	2.3
117.07012	1.0
119.08577	2.7
121.06506	0.7
121.10165	2.4
122.06066	1.0
124.11223	1.4
128.07098	0.8
129.06595	12.7
129.10248	10.0
130.06569	0.8
131.08516	0.7
132.08109	2.5
132.10204	40.0
133.10178	2.4
135.08128	0.8
135.11714	2.3
137.06009	1.0
137.09576	0.8
141.06599	3.9
142.12286	11.2
143.11775	1.1
145.10104	1.1
147.11652	1.0
152.10701	6.0
156.13814	0.8
159.09218	1.8
168.13853	0.8
168.17531	0.9
169.13367	3.4
170.06047	1.6
170.15410	11.8
171.11411	1.1
175.14900	0.6
179.03387	0.8
182.15436	1.8
183.15794	1.1
186.14944	0.8
187.08737	2.1
189.12329	1.0
196.14453	29.7
197.12859	21.8
197.14578	1.2
197.16588	0.7
203.13904	1.3
208.20668	1.2
210.14975	0.9
211.15359	1.9
214.15500	14.7
215.13959	1.0
216.15956	2.3
224.13940	11.7
225.12369	3.5
230.12816	1.1
242.15002	9.7
243.13374	0.7
245.18726	2.4
246.22180	1.0
258.12408	2.3
260.16089	0.7
264.15710	0.6
264.23206	11.4
264.25851	0.8
282.24484	1.5
294.27960	3.4
310.24054	1.4
310.27322	7.1
312.28931	7.2
328.24887	0.7
328.28436	10.1
328.32153	0.9
329.15768	1.8
337.22073	0.6
338.19540	7.1
338.26828	1.2
355.23282	26.3
355.29837	3.0
356.23032	2.6
356.28061	6.0
373.14502	4.8
373.18417	20.4
373.30728	100.0
374.18884	0.8
374.24460	1.2
374.28879	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	373.2449
Annotation	Leu Leu Gln
Peak:m/z	Relative Intensity
55.05502	0.6
56.05035	1.0
57.92892	0.3
58.06589	0.4
67.05531	0.4
68.20795	0.4
69.07073	1.2
70.06593	17.7
70.23607	1.0
72.08157	8.8
79.05480	0.4
81.15143	0.4
84.04505	22.8
84.08139	3.0
85.02887	0.8
86.06072	0.6
86.09705	100.0
87.10044	1.4
96.22430	0.4
101.07140	4.8
102.05547	1.3
105.66415	0.4
110.07179	0.4
110.09663	0.5
112.08739	0.8
114.05517	0.8
115.08726	0.7
116.07132	0.9
128.10724	3.5
129.10242	1.2
129.11075	2.0
130.05000	41.5
131.05319	0.9
131.11780	0.7
141.42149	0.3
143.11699	0.4
144.06546	0.9
147.07643	70.0
148.06038	1.2
148.08025	0.7
149.05988	0.6
161.09186	1.2
170.37097	0.4
173.09180	0.6
177.05467	1.4
185.09232	1.3
193.05003	0.9
195.06534	0.7
199.18056	21.8
200.18437	0.4
227.17520	10.8
242.14919	0.4
243.13361	0.7
256.16553	0.8
260.16037	8.3
261.14420	1.3
328.25046	0.4
373.14783	2.4
373.24573	5.2
374.17847	1.2
374.25479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.05035	3.4
57.03427	1.0
67.05496	1.6
69.07072	4.6
69.78853	1.8
70.06595	2.2
72.08161	2.4
77.45065	0.7
79.05498	0.9
81.07056	1.8
82.93756	0.6
83.06107	36.1
84.04507	38.8
84.08135	7.0
86.09708	100.0
87.10045	1.3
91.05437	0.6
93.07039	1.6
95.08619	1.7
96.04498	1.0
97.06545	1.0
98.09705	3.8
100.44809	0.7
101.07131	6.6
107.08577	1.2
110.06001	0.6
112.03973	1.0
113.07140	2.7
124.11217	0.6
129.06598	11.6
129.10231	3.1
132.10208	37.0
133.10559	0.9
135.11687	0.9
141.06596	5.7
142.12302	2.1
152.10684	4.2
157.13403	2.0
167.35220	0.6
169.13390	3.4
170.15446	2.3
185.12885	2.1
189.12369	2.4
196.14450	34.4
197.12877	24.4
197.14462	1.0
198.13264	1.5
214.15520	13.9
215.14005	0.9
224.13914	11.5
225.12358	4.5
226.12886	0.8
242.15015	6.7
245.18616	1.5
246.44283	0.6
264.23285	2.1
310.27551	0.9
328.28210	1.3
355.23340	22.0
356.22839	1.1
356.27927	0.8
363.27878	0.7
373.18317	4.6
373.23773	1.2
373.30862	14.6
374.28915	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	373.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57223	0.5
55.01849	0.4
55.05508	1.1
56.05030	1.5
57.03434	2.1
58.06587	0.7
67.05512	3.2
69.07063	5.8
70.06586	3.5
70.38902	0.8
71.04980	0.7
72.08148	4.2
75.05602	10.0
79.05483	2.1
79.78928	0.4
80.04173	0.4
81.03398	0.6
81.07059	3.9
83.06107	2.1
83.08598	0.4
84.04505	7.4
84.08139	7.7
85.02885	0.6
85.06522	1.1
86.09702	100.0
87.10034	1.0
91.05485	2.0
93.07044	2.8
95.04977	1.4
95.08610	3.3
96.08151	0.4
97.06521	1.8
98.09692	5.3
99.08087	1.3
101.07133	1.5
102.05539	3.0
105.07034	1.4
106.42407	0.4
107.05006	0.5
107.08599	1.6
109.06529	0.8
109.10142	1.0
111.08057	0.7
111.99341	0.4
113.07105	0.4
114.09164	0.8
119.08555	0.7
121.10170	0.6
123.08040	0.4
124.11241	0.6
129.06615	1.7
129.10222	4.9
132.10199	24.1
133.10170	1.7
135.11710	0.9
141.06604	0.7
142.12277	2.8
143.11792	44.7
144.10202	0.7
144.12187	1.0
147.11684	0.4
152.10674	0.6
156.13855	0.6
156.56638	0.5
157.13362	7.1
161.13211	0.4
170.11790	0.7
170.15376	1.8
171.11281	22.9
172.11684	0.5
179.24667	0.4
185.12891	2.9
189.12376	1.6
196.14401	1.5
197.12854	7.9
203.13904	30.9
204.14203	1.1
205.04955	0.6
214.15446	0.8
215.13907	6.7
224.13866	0.7
225.12303	2.2
242.14993	13.7
242.18756	0.8
243.13289	3.8
243.15479	0.5
245.18642	2.8
264.23215	1.5
282.24454	0.6
310.27393	0.9
312.28976	1.0
328.28381	1.6
337.25659	1.0
338.26877	0.9
351.85760	0.5
355.23016	2.9
355.26822	1.5
356.27972	3.3
373.14023	1.2
373.18243	4.0
373.31161	14.0
374.12265	0.9
374.25235	1.2
374.29001	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.05014	1.1
58.06594	0.6
60.05652	10.8
68.05049	1.0
68.58118	0.5
69.07062	0.9
69.92735	1.6
70.06595	96.9
70.44524	0.5
71.04990	6.0
71.06933	1.6
71.07343	0.4
72.08157	25.1
77.22116	0.4
83.06098	0.5
84.04491	1.8
84.08141	11.5
85.02898	0.8
86.09705	14.4
88.07632	4.2
95.06113	0.8
97.02918	0.6
97.07648	1.2
98.06064	2.5
98.97591	1.2
100.07668	0.6
101.07124	0.7
110.07166	1.7
112.08732	22.5
113.07150	0.9
115.08689	4.8
116.07096	2.1
118.08664	0.9
124.11256	1.3
127.08716	1.1
129.10234	5.7
130.05046	1.0
130.08638	2.2
130.09683	0.6
140.08179	5.1
142.09869	0.6
143.11830	1.0
147.07637	1.4
147.11290	2.7
152.10687	1.6
157.10857	6.8
158.09251	1.1
163.03952	0.8
166.13417	0.8
168.14931	2.3
169.13358	9.6
175.11893	4.8
194.12880	1.8
196.14467	2.8
197.12837	2.5
199.18077	1.4
201.12462	0.7
203.10364	1.0
210.87335	0.5
211.15549	19.2
212.15805	1.0
214.15540	0.8
215.13872	0.8
217.15439	0.7
224.18156	0.5
228.18205	2.2
239.15099	1.8
256.17679	3.6
257.16019	6.5
274.18735	13.5
295.46347	0.5
328.66577	0.6
356.22968	5.8
358.28745	0.5
367.98346	0.6
373.25555	100.0
374.25848	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	373.2814
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
55.05515	1.2
56.05042	2.9
57.05840	0.4
58.06601	0.7
59.17179	0.4
62.59243	0.3
67.05499	0.7
67.95128	0.4
69.07073	3.0
70.06593	6.0
70.31166	0.4
72.08163	8.2
73.58965	0.4
79.05496	0.3
82.06591	0.9
83.06107	1.2
84.04503	5.0
84.08147	100.0
85.06565	0.9
85.08470	1.9
86.09711	31.9
87.10035	0.6
88.04015	0.7
91.05518	0.5
94.06609	0.6
96.08118	1.0
100.11259	0.8
100.12726	0.3
101.07160	0.8
101.10787	5.0
102.09196	0.4
111.09225	1.2
112.07604	0.6
114.09204	0.7
116.07098	1.3
124.07658	0.3
126.12813	0.4
127.08670	0.8
128.10689	0.7
129.10246	73.4
130.08670	0.4
130.10625	1.4
132.10219	0.7
143.11804	0.8
144.06570	7.6
144.10217	0.4
147.07703	0.8
147.11325	1.0
149.06085	0.5
152.14354	3.6
156.10239	0.4
157.13423	0.9
161.09239	8.8
171.14891	0.4
181.17065	0.4
185.12920	0.7
185.16524	1.6
186.47873	0.4
189.12331	0.9
193.08670	1.2
196.14545	0.8
197.16512	8.3
199.14546	0.4
199.18108	0.6
201.12396	0.8
203.13976	1.4
211.09650	1.1
213.16087	0.7
214.19182	1.2
224.17522	2.1
225.16003	1.7
227.17549	0.7
229.15573	1.1
240.13390	0.8
242.18642	9.3
243.19174	0.6
245.18524	3.4
245.20642	0.3
260.16031	0.8
260.19797	2.2
284.19861	0.4
355.27203	0.6
356.25299	1.6
373.15149	1.9
373.18500	0.9
373.28165	29.3
374.29288	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.281
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
55.05508	0.6
56.05032	2.8
56.69174	0.2
64.94180	0.2
67.05509	0.7
69.07053	0.2
70.06597	2.1
70.47786	0.3
70.48119	0.3
72.03370	0.2
72.08155	2.5
77.03787	0.2
82.06559	0.4
83.06069	0.2
84.04498	0.4
84.08141	100.0
85.06532	1.0
85.08465	1.8
86.09703	19.4
87.10045	0.5
90.60676	0.2
96.08110	1.3
100.11305	0.2
101.10777	5.0
102.09181	0.6
111.09220	1.0
112.07646	0.5
116.07092	0.2
128.10757	0.3
129.10234	60.1
130.10606	1.2
132.10193	0.3
141.10248	0.4
144.06517	0.4
147.11317	0.4
148.06052	0.3
152.14348	2.0
157.13368	0.6
161.09239	0.5
179.15460	0.6
185.12889	0.5
189.12346	0.7
195.14969	0.3
196.66727	0.2
197.16501	5.4
199.18030	1.9
199.19337	0.2
202.82338	0.2
211.09344	1.7
214.19296	0.4
222.18517	0.5
224.17540	2.3
225.16023	1.8
227.17574	0.8
228.17035	0.2
240.19598	0.3
242.18637	7.4
243.19159	0.2
245.18575	2.6
260.19650	1.9
261.14536	0.6
337.25909	0.3
355.27029	0.9
356.25317	1.3
373.14594	0.8
373.18231	1.0
373.23895	1.4
373.28070	32.6
374.28647	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	373.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
56.05037	3.4
57.03434	6.0
58.06337	1.9
58.06601	26.7
67.05505	11.0
67.97517	1.2
69.03426	1.4
69.07067	7.4
70.06586	4.5
71.04992	1.9
72.04524	2.2
72.08149	9.4
79.05490	6.7
81.03415	1.3
81.07053	11.0
83.04996	1.6
83.08603	1.2
84.08150	2.2
85.06525	2.1
86.09711	13.3
90.65324	1.4
91.05463	3.1
93.07027	6.7
95.04914	1.8
95.08605	11.0
97.06528	7.8
98.09686	22.4
99.08096	2.9
105.07021	3.6
107.08590	5.6
109.06526	3.1
109.10151	5.0
111.08038	1.3
119.08595	2.3
121.10146	4.0
123.08093	1.4
132.10240	1.2
133.10144	3.4
142.12270	15.4
143.11821	1.6
151.07562	1.4
151.11079	1.3
168.17461	1.4
170.15392	17.3
173.11816	1.3
182.01100	1.2
196.05182	1.3
196.16980	2.9
203.13998	1.5
208.20566	2.1
216.15977	1.6
264.23151	13.9
272.52167	1.3
292.22766	1.9
310.23804	3.1
310.27386	2.9
312.25513	2.4
312.28995	4.3
328.24820	6.3
328.28613	4.9
338.27008	1.6
355.20535	1.5
355.29858	1.9
356.27914	17.9
373.12494	14.3
373.18304	14.4
373.30670	100.0
374.12732	1.4
374.18280	2.1
374.25348	46.4
374.29391	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57467	0.7
55.01860	0.9
55.05502	1.0
56.82309	0.6
57.03427	2.7
58.06616	0.6
61.02909	0.7
67.05514	4.4
69.03414	1.3
69.07063	2.1
69.49768	2.3
70.06602	3.9
71.04981	2.6
72.08160	6.4
79.05493	5.7
81.03436	0.7
81.07052	9.3
82.43636	0.5
83.04989	0.8
84.04452	0.6
84.08136	4.0
84.67998	0.5
85.02898	4.0
85.06530	0.6
85.08473	0.7
85.62472	0.6
86.09709	6.0
89.03912	4.8
91.05483	2.5
93.07053	3.7
95.04973	1.5
95.08598	2.4
97.02904	0.9
97.06519	2.1
98.09694	8.7
99.08103	1.7
102.09174	0.6
105.07039	1.9
107.08582	2.1
109.06512	0.8
117.03371	14.8
119.08570	1.3
121.10111	1.6
127.07547	1.0
128.10701	0.9
129.10242	1.7
131.08575	0.9
133.10136	1.4
134.03630	1.5
135.04349	0.7
135.11690	0.7
135.27298	0.6
140.54773	0.8
142.12280	6.4
143.08588	0.8
145.02849	41.6
145.10191	0.9
146.03134	1.0
147.11682	0.9
149.06000	5.6
157.93028	0.7
162.07623	0.7
163.03937	2.5
177.05472	100.0
178.05815	3.3
180.08722	0.8
182.39638	0.6
195.06532	46.8
196.06865	1.6
212.13094	0.7
238.39824	0.7
264.23187	1.4
310.27490	0.9
330.15970	1.2
338.27029	1.5
355.29456	1.2
356.24210	0.8
356.27936	12.2
373.17999	0.9
373.30862	3.4
374.18710	19.1
374.29025	45.6
375.18967	1.4
375.29376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26538	0.7
51.56618	0.6
55.01876	0.9
55.05504	1.2
55.05772	0.8
56.05019	2.1
57.03428	3.0
58.06584	1.6
58.75754	0.6
61.02935	0.6
63.57335	0.7
67.05508	5.2
69.03423	1.2
69.07059	2.8
69.48949	2.7
70.06590	4.4
71.04984	2.3
72.04502	0.8
72.08159	5.3
73.02848	0.8
79.05502	5.4
81.06622	1.1
81.07060	11.9
83.05000	0.9
84.04519	1.0
84.08152	3.5
85.02898	3.8
86.09716	5.7
87.10023	0.7
89.03915	5.4
90.37065	0.7
91.05478	4.7
93.07059	5.9
95.08591	3.1
96.67806	0.6
97.02892	1.0
97.06519	3.2
98.09695	10.1
98.23412	0.7
99.08080	1.9
105.07030	1.7
107.04869	0.7
107.08577	2.4
109.06513	1.3
109.10120	1.8
117.03380	18.4
117.06978	0.7
119.08572	0.7
121.10123	1.7
124.11253	0.9
127.07565	1.6
128.10660	0.7
129.10223	2.5
133.10115	2.2
134.03625	1.8
135.04370	1.5
135.11671	1.8
142.12251	8.1
144.10197	1.0
145.02849	44.3
145.10139	1.2
146.03165	2.1
149.05995	8.5
163.03912	3.3
163.11185	0.9
177.05473	100.0
178.05836	3.2
195.06529	46.0
196.06815	1.6
264.23215	1.2
302.12860	0.9
310.23865	0.9
330.16034	1.2
355.29266	0.7
356.24249	0.8
356.27948	16.4
373.30963	1.4
374.18704	20.1
374.25293	2.8
374.29028	53.7
375.19333	1.0
375.29388	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	6.3
58.91975	2.4
61.02950	2.8
69.03427	2.5
69.65081	7.5
69.65443	4.8
72.08158	5.4
85.02908	17.7
86.09711	3.4
89.03932	3.3
97.02905	6.2
98.22690	4.1
117.03366	15.3
127.03932	3.7
144.10211	3.5
145.02838	43.4
145.04924	2.0
149.06004	7.6
163.03853	3.9
177.05473	100.0
178.05807	4.2
194.08017	2.2
195.06523	64.2
206.18974	2.3
274.22855	2.2
328.24799	2.6
374.25391	21.5
374.29303	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	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	24.6
64.10651	0.4
69.07078	0.7
69.25265	2.2
69.25674	0.8
71.95263	1.7
74.97604	0.6
80.94870	0.8
84.96034	1.1
97.96794	5.2
98.22720	1.1
98.97614	1.3
102.89982	0.6
105.00213	0.7
110.97572	10.8
112.11275	0.5
115.97834	4.1
116.98605	0.7
119.01750	0.7
123.01167	0.9
128.98616	13.1
129.09166	0.8
133.98875	1.4
136.73936	0.5
137.02748	1.4
138.99452	0.6
141.02197	0.7
143.00215	2.2
146.99666	7.5
152.00224	0.9
155.03796	0.8
161.01254	2.7
165.00746	0.7
165.05844	0.6
169.05318	0.8
170.01256	0.7
171.03268	2.0
172.04079	0.7
175.02850	0.9
176.03543	0.8
179.02255	0.8
183.03290	0.7
185.04904	1.3
189.04323	2.0
190.05132	2.4
197.04979	0.9
201.04282	0.6
204.06697	1.0
208.06169	0.9
227.09630	0.7
235.06534	0.8
241.11200	2.4
245.08446	1.1
245.10654	0.6
251.09425	0.5
252.10358	2.4
259.12231	1.6
263.09607	5.3
264.10294	1.4
265.11151	0.8
266.08286	0.6
270.11456	1.6
277.11111	0.7
281.10675	1.4
283.12042	0.6
291.12848	0.6
303.12595	1.9
313.14639	0.8
315.16278	50.1
316.16663	3.4
317.14496	0.6
331.15747	3.0
333.17358	100.0
334.17694	6.9
351.18442	32.6
351.22894	1.0
352.18781	2.3
356.19003	13.9
357.19333	1.5
374.19867	3.6
374.26749	0.9
374.36447	1.2
375.26978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06842	0.3
55.01879	0.4
55.05510	0.6
56.05045	2.0
57.03435	1.0
62.95461	0.3
67.05507	2.0
67.61269	0.3
69.07067	2.1
70.06594	1.1
71.04990	0.6
72.08158	1.6
79.05495	1.3
80.84300	0.3
81.07075	2.0
82.06585	0.4
84.04505	28.4
84.08145	1.6
85.02912	0.7
85.04844	0.4
85.06569	0.5
86.06066	0.4
86.09708	100.0
87.10040	2.4
91.05466	0.8
93.07051	1.6
95.04979	1.0
95.08604	1.1
96.04498	1.7
96.08102	0.4
97.06527	0.5
98.09708	2.2
102.05543	14.8
105.06979	0.4
107.08586	0.6
108.08136	0.8
109.10130	0.3
110.06059	0.4
113.07137	2.2
113.09654	0.5
121.10152	0.4
124.11243	0.8
126.09158	0.9
129.06596	4.0
131.08627	0.3
132.10205	39.8
133.10527	0.7
135.04349	0.4
135.11638	0.5
141.06596	3.1
142.12265	1.1
144.10213	5.6
152.10733	2.5
155.08011	0.5
170.11763	4.2
197.12862	19.7
198.11267	0.4
198.13193	0.7
215.13914	28.6
216.14192	1.3
225.12355	8.1
226.12636	0.6
243.13400	10.5
245.18642	2.7
310.21179	0.8
313.29562	0.4
320.25894	0.5
338.20651	0.6
338.26944	1.6
356.21982	1.5
356.27899	3.0
373.30545	0.4
374.25064	2.8
374.29105	11.7
375.29550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
51.20391	0.4
56.05033	0.4
58.06590	1.0
58.51112	0.4
69.69476	0.8
69.69846	0.8
70.06596	4.2
72.08143	1.9
84.04491	3.3
84.08142	7.0
85.02904	0.4
85.08456	2.2
86.09702	100.0
87.10012	1.9
102.05531	1.7
105.24851	0.4
128.10704	1.5
129.10222	4.6
130.05003	1.7
130.10590	1.7
144.06555	0.9
148.06041	8.6
161.09290	0.8
164.51871	0.4
177.05466	0.9
199.18040	30.9
200.18387	1.0
212.09729	0.5
221.03134	0.4
227.17531	19.0
228.17870	1.3
232.40500	0.4
261.14441	6.5
374.18585	0.6
374.24768	1.9
374.28580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2539
Annotation	O-dodecanedioylcarnitine
Peak:m/z	Relative Intensity
52.59272	0.5
55.05511	1.2
56.05029	1.4
57.03424	1.5
57.05799	0.7
58.06601	52.0
59.06909	0.7
66.44420	0.6
67.05502	9.8
69.07057	1.6
70.06572	1.8
71.04994	1.3
72.08157	5.2
79.05485	3.6
79.17911	0.5
81.03394	1.0
81.07055	5.6
83.08610	1.0
84.08134	0.9
85.06504	0.8
85.60533	0.5
86.09697	1.0
86.92328	0.5
88.07595	0.8
91.05475	2.3
93.07051	3.6
95.04982	1.0
95.08617	6.8
96.08117	1.5
97.06527	2.8
98.09682	7.1
98.48193	0.5
99.08092	1.0
100.07639	1.0
105.07008	1.4
107.04945	0.8
107.08595	1.7
108.08099	0.9
109.06499	3.4
109.10146	7.2
111.08081	1.0
115.07540	0.5
117.07017	0.8
119.08546	1.7
122.09689	1.3
133.10121	0.8
137.09573	0.9
142.12245	5.2
143.12621	0.7
145.10120	0.7
147.11671	0.7
156.13832	0.6
160.55002	0.5
173.11726	2.3
173.13123	0.5
195.13754	0.7
217.23483	0.7
240.19487	0.9
282.01617	0.5
292.22681	0.9
310.23703	1.7
312.25305	5.1
328.24823	11.7
329.24979	0.8
338.26904	0.9
356.24078	1.9
356.27960	13.7
357.28458	1.2
374.25223	100.0
374.29214	18.0
375.25726	8.0
375.29846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2539
Annotation	O-dodecanedioylcarnitine
Peak:m/z	Relative Intensity
51.02142	0.4
55.05516	0.6
55.76239	0.4
56.05021	0.9
57.03439	0.7
58.06602	32.6
67.05502	1.7
69.07059	0.6
69.85039	1.4
70.06594	2.6
72.08153	4.2
79.05498	1.1
81.07069	2.2
83.04970	1.0
84.08128	1.2
86.09694	0.8
88.07630	0.9
91.05458	0.8
93.07017	1.6
95.04967	0.7
95.08608	11.7
96.08135	1.0
97.06534	0.7
98.09675	0.7
105.07002	1.4
107.08588	0.7
108.08138	0.7
110.09657	0.8
123.08068	2.8
126.09139	0.5
131.08617	0.5
133.96072	0.5
136.11214	1.9
141.09059	0.8
144.10217	2.0
159.10144	1.3
171.28748	0.5
177.05453	0.5
191.46378	0.5
194.08083	0.5
276.23306	0.4
292.22751	2.7
294.24283	0.4
310.23749	1.9
312.25290	5.4
313.25613	0.5
328.24783	13.3
329.25134	1.5
338.23148	1.1
338.26825	0.5
356.24274	3.6
356.28128	1.1
374.25342	100.0
375.25693	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	374.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90759	1.3
55.05500	3.2
56.05024	1.3
57.03433	1.4
57.07080	8.6
58.02949	1.3
58.06593	4.1
60.04522	10.4
62.95316	0.8
65.33035	0.9
66.99742	0.9
67.05488	4.2
69.07076	10.2
70.06233	1.3
70.06591	16.4
70.14587	1.6
70.14893	1.0
71.08627	4.5
72.08167	5.0
79.05485	4.0
81.07059	8.3
83.08627	1.7
84.08141	30.0
86.06067	4.8
86.09710	13.9
88.07634	19.2
91.05477	38.9
93.07043	3.0
95.04953	2.0
95.08607	5.7
97.06528	10.4
99.08096	2.5
102.09180	11.9
103.05503	0.9
105.07012	6.9
107.04932	1.1
107.08604	1.4
109.10116	1.5
110.09690	5.5
112.07594	4.2
113.09603	0.9
114.09156	0.9
115.07545	2.1
117.07022	32.4
118.07358	1.4
119.08565	2.9
121.06516	2.5
126.12977	0.9
128.06206	1.9
128.10721	14.5
129.07016	10.1
131.08594	3.2
132.10249	2.4
143.08556	15.6
150.11256	2.5
154.12251	4.2
156.10204	39.3
157.10449	1.0
165.12755	4.0
172.13248	1.0
175.95325	0.9
185.13260	10.7
203.14273	5.8
257.19089	1.2
276.23215	1.8
297.22064	6.1
312.32578	35.8
313.33002	2.9
328.26505	2.3
333.17392	3.0
346.27396	36.3
347.27728	3.1
351.18512	2.6
356.25793	10.1
356.35312	3.2
374.26706	36.9
374.30826	3.8
374.36276	100.0
375.27020	2.6
375.36621	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2691
Annotation	Lepedine
Peak:m/z	Relative Intensity
53.03943	1.1
55.01855	0.6
55.05513	0.5
57.03426	1.0
58.06604	0.6
67.05511	2.6
69.07053	1.8
69.58739	2.0
72.04517	0.9
72.08161	4.6
75.24234	0.5
77.03928	1.3
79.05489	2.2
81.07056	1.4
81.65125	0.4
85.08958	0.6
85.21910	0.5
86.09678	0.8
91.05482	22.3
92.05762	0.5
93.07047	6.2
95.04974	4.2
95.08598	1.2
96.96975	0.5
97.06534	3.9
98.09693	18.5
99.08089	1.7
99.09122	0.5
105.03394	59.7
105.04533	2.0
105.07054	1.5
106.03721	1.4
107.04952	0.5
111.08097	0.9
114.12743	0.5
117.07023	1.9
121.06452	0.7
124.11243	1.0
129.06998	9.2
131.08569	1.6
133.06471	1.0
135.78284	0.5
139.07536	1.1
142.08569	0.5
142.12263	17.5
143.08537	2.2
143.12566	0.5
157.10063	0.8
171.11687	10.4
181.10132	1.4
199.11176	1.0
211.05957	0.5
276.89081	0.5
353.70880	0.5
356.25778	1.8
374.26889	100.0
375.27206	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	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05505	2.8
56.05031	1.0
57.03441	7.4
58.06609	0.5
59.25523	0.4
63.23198	0.4
67.05157	0.7
67.05504	10.8
69.03423	0.8
69.07068	7.1
69.25675	1.7
69.26070	0.7
70.06593	6.2
71.04994	4.2
72.04511	0.8
72.08155	10.3
76.35859	0.4
79.05490	6.2
81.07058	17.9
82.07394	0.6
83.04974	1.3
83.08629	1.8
84.08135	1.3
85.02910	0.6
85.06549	2.8
86.09720	1.1
87.04457	1.2
91.05476	2.2
93.07050	7.3
95.04974	1.3
95.08610	9.0
96.08102	0.7
97.06534	4.0
97.10175	1.1
98.09697	11.7
99.08085	3.9
105.07026	1.5
107.08590	6.0
109.06512	0.7
109.10164	3.9
111.08099	1.4
112.11333	0.5
113.09624	1.5
115.07591	1.2
119.08598	1.1
121.10161	2.9
123.08087	0.6
123.11718	1.9
124.11201	0.8
131.08603	0.8
133.10120	2.2
135.11685	4.8
137.13300	0.5
142.12256	4.8
145.10139	0.9
147.11687	0.7
149.13258	1.6
151.11200	0.9
153.12700	0.6
159.11679	0.5
161.13231	0.7
163.14719	0.5
169.12262	0.6
171.13786	3.3
177.16379	1.2
187.13289	1.7
265.21609	1.0
294.24683	0.5
294.27863	1.9
310.27393	7.3
311.22064	0.8
311.27698	0.9
312.28821	1.7
320.25851	0.6
328.28351	2.2
337.24619	0.5
338.26862	1.1
356.27969	12.6
357.28278	0.7
374.28973	100.0
375.29361	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44648	1.3
57.03445	3.5
58.80530	1.2
67.05493	2.6
69.07039	1.9
70.06579	1.4
71.44819	1.4
72.08157	18.7
79.05468	1.6
81.07042	6.0
81.43343	1.3
93.03375	1.2
93.07044	1.6
95.08640	3.4
97.06545	2.3
98.09688	4.2
109.10154	2.1
119.01942	1.2
135.57819	1.5
137.05986	1.5
142.12202	1.6
181.47563	1.4
182.35115	1.2
236.64128	1.5
293.80228	1.4
312.28986	4.1
328.28497	16.8
356.27924	5.5
374.29004	100.0
375.29218	7.2
388.39145	1.7
397.39136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
55.05504	5.4
56.05033	3.8
57.03433	4.1
58.06599	29.5
67.05505	19.8
69.07063	9.2
70.06591	3.7
71.04986	4.7
72.04506	2.4
72.08154	12.6
79.05482	13.8
81.03420	1.4
81.07055	22.5
83.04974	1.4
84.08149	3.1
85.02898	2.2
85.06541	3.3
86.09699	5.3
87.10031	2.3
91.05471	8.5
93.07042	11.6
95.04980	4.6
95.08606	30.1
97.06524	16.5
98.09688	37.7
99.08083	7.5
101.06068	1.5
105.07038	5.3
107.04997	1.4
107.08599	4.4
109.06522	2.6
109.10123	5.8
111.08053	1.3
117.07009	1.7
119.08569	4.1
121.10140	3.6
123.08113	2.6
124.11233	1.6
131.08594	2.1
133.10109	2.4
135.11679	2.6
137.09608	1.2
142.12268	32.3
144.10204	2.7
145.02890	2.3
145.10152	2.9
147.11729	3.0
155.30505	1.2
156.13882	5.2
174.83232	1.2
177.05447	4.4
195.06633	1.3
312.25351	3.2
328.24762	5.7
338.26981	3.2
356.27954	71.8
357.28244	6.3
374.18701	3.4
374.25168	50.1
374.29074	100.0
375.25354	3.2
375.29382	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	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56993	5.7
53.03962	8.2
55.01883	7.1
55.05508	37.9
57.03426	8.5
57.16895	7.2
59.04993	7.1
65.17273	6.7
67.05498	100.0
69.07070	43.1
69.71020	24.5
71.04990	82.7
72.08156	23.0
79.05486	48.5
81.03420	26.4
81.07051	70.5
82.55228	7.3
83.08621	30.8
84.08135	18.1
85.06544	11.5
91.05486	47.7
93.07033	61.7
95.04967	42.2
95.08603	45.5
97.06527	21.6
97.10162	39.4
101.57995	6.9
105.07018	37.2
107.08595	64.4
109.06527	19.2
109.10153	58.6
109.68768	6.7
111.08086	17.0
117.07026	17.5
119.08588	38.0
121.06516	10.1
121.10143	36.9
123.11777	7.4
125.09627	28.7
128.10735	12.3
131.08606	15.8
133.10141	20.1
135.11691	28.7
137.09631	10.9
145.10115	27.3
147.11609	11.3
149.09653	13.1
149.13263	8.2
155.10661	25.4
157.10056	8.4
159.11658	35.2
163.11162	15.4
170.11819	16.0
173.11761	79.9
177.12729	24.1
187.13292	56.7
193.15814	10.5
197.13196	8.0
203.12744	36.4
208.03564	8.6
209.15329	11.0
231.62817	6.3
239.18147	7.6
241.17975	62.6
257.19003	10.2
275.20129	43.6
289.21649	22.8
307.22601	8.8
314.28204	8.7
321.24240	13.0
374.26852	9.9
374.30469	63.4
374.36307	40.6
375.26761	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	375.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48563	0.5
55.05509	4.2
56.05040	2.8
56.96555	0.8
60.04517	1.1
60.05661	1.1
67.05505	1.2
69.07066	1.1
69.89288	1.7
70.02961	0.9
70.06596	9.3
72.08161	38.1
73.08481	0.9
82.06584	3.5
84.04519	1.4
84.08148	100.0
85.06534	0.8
85.08477	2.3
86.09711	15.0
87.05598	1.3
88.03999	6.1
94.06561	0.7
96.08161	2.8
98.02399	2.0
98.06133	0.6
99.09222	1.6
100.75710	0.5
101.10780	1.3
102.05537	1.3
104.05395	0.9
108.57935	0.5
110.02412	0.8
110.07164	1.8
111.09192	1.7
112.08739	1.4
115.08676	0.8
116.07136	1.1
120.08092	1.3
124.07584	1.7
127.08681	12.0
128.07085	1.7
129.10249	31.3
130.08682	0.8
138.09154	1.0
141.10239	2.0
142.08640	14.7
143.11804	1.4
144.10207	43.1
145.10510	0.7
147.11296	0.9
148.06081	1.6
152.07040	1.2
155.11847	1.4
158.09303	1.0
161.12868	44.3
166.08614	0.9
169.09782	2.8
170.08188	1.8
173.12891	1.8
175.11890	1.7
183.11331	1.2
185.16840	0.7
187.10791	27.2
192.93628	0.6
197.16513	1.3
200.13931	5.2
201.12387	1.7
208.37631	0.7
210.10719	0.5
215.10257	1.7
222.04361	0.8
226.11920	0.6
228.13449	2.4
228.16985	0.9
229.11832	0.8
242.18582	2.0
247.12993	0.7
260.19711	27.8
261.19836	0.7
270.18103	1.1
273.56635	0.6
357.21356	1.6
358.19690	3.2
375.05258	1.6
375.10904	1.7
375.22470	53.4
376.22763	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69693	2.1
55.05507	14.7
57.07063	3.3
58.11709	2.6
58.51015	2.1
67.05508	34.2
69.07069	17.0
69.39026	9.6
71.04987	3.7
75.23341	2.1
79.05496	36.0
80.44616	2.1
81.07056	47.7
83.08620	4.4
91.05485	54.3
93.07047	85.4
95.04972	46.8
95.08607	42.4
97.06541	11.9
103.05475	8.0
105.04524	6.2
105.07037	100.0
107.08595	48.5
109.06522	7.8
109.10151	22.1
115.05459	4.2
116.06213	3.9
117.07028	22.6
118.79937	2.0
119.06017	2.1
119.08586	83.9
120.08888	2.8
121.06512	18.6
121.10146	64.3
123.08086	8.8
123.11705	6.3
128.06221	10.9
129.07011	13.4
130.07784	7.8
131.08571	51.4
132.09048	2.6
133.06570	3.1
133.10129	42.8
133.11130	2.3
135.08075	3.8
135.11702	15.3
141.07008	5.2
142.07793	19.5
143.08559	30.4
144.09315	10.1
145.10130	59.1
147.08075	4.0
147.11678	21.5
149.09587	3.1
154.07788	2.4
155.08571	7.3
156.09358	8.0
157.10127	43.5
158.10864	5.7
159.11708	28.6
161.09607	14.4
161.13243	7.2
163.11224	3.5
165.06984	2.9
166.07759	2.6
167.08594	5.5
168.09354	2.6
169.10115	18.3
170.10944	2.8
171.11720	14.7
173.09763	2.5
173.13266	16.9
175.11195	6.6
175.14798	9.1
179.08546	4.3
181.10152	8.3
183.11751	10.7
185.13255	9.3
187.11197	4.6
187.14787	14.1
189.16298	2.2
193.10135	5.1
195.11713	9.7
196.12576	3.3
197.13239	11.1
199.14851	8.1
201.16356	5.2
206.10828	3.8
207.11740	4.1
208.12297	3.4
209.13243	11.8
210.14017	3.3
211.14783	7.1
213.16345	3.5
214.67509	2.2
220.12482	2.7
221.13251	4.2
223.14920	3.1
225.16364	3.2
227.17982	3.5
235.14821	4.5
239.17909	2.7
241.19466	2.5
253.15829	5.1
253.19466	3.7
262.60590	2.3
265.19568	4.1
277.19403	3.0
313.32660	2.5
319.20572	3.0
347.27078	3.7
375.26837	17.6
375.37088	2.3
376.26907	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	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01864	3.1
55.05512	100.0
57.03433	8.1
67.05505	13.3
69.07081	7.4
71.04987	2.8
76.68990	1.4
79.05498	18.1
81.07053	23.9
83.04970	2.4
83.08623	54.4
85.06524	2.5
91.05482	23.2
93.07049	24.7
95.04959	5.7
95.08601	18.2
97.06549	5.2
97.10177	3.2
98.22588	3.0
99.08101	3.1
104.48166	1.7
104.66222	1.4
104.96346	1.3
105.04523	1.4
105.07033	32.2
107.04961	3.2
107.08600	17.9
109.06513	5.1
109.10158	5.8
111.08050	1.6
117.07028	9.6
119.08582	25.7
121.06561	2.2
121.10147	13.5
123.08058	1.6
123.11689	2.3
125.09629	2.0
128.06258	1.5
129.07024	6.0
131.08571	13.9
133.06529	1.4
133.10136	18.7
135.08075	1.4
135.11719	5.1
137.09659	2.2
143.08549	6.3
145.10136	16.9
147.11649	8.9
149.09590	7.2
151.11197	2.0
157.10136	5.0
159.11702	18.6
161.13268	6.2
163.11177	1.8
169.10143	3.5
171.11719	4.7
173.13214	7.3
175.11331	1.3
175.14813	4.0
183.11621	3.7
185.13264	10.2
187.14880	2.1
189.11264	2.5
189.16379	1.5
191.20068	1.5
197.13268	4.0
199.11401	1.6
199.14870	1.8
201.16406	4.3
203.14317	8.6
211.14798	1.8
219.17444	27.9
221.15338	2.2
228.83855	1.5
239.18007	5.8
257.19000	10.0
275.20062	59.0
276.20593	3.1
290.35126	1.5
293.21075	4.9
303.23209	5.7
357.27893	5.8
375.29388	1.6
385.36063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37075	2.1
53.03950	4.1
55.05512	100.0
59.87990	2.4
67.05497	10.3
67.45135	2.4
69.07070	8.1
69.13068	2.1
70.75251	3.7
79.05485	5.9
81.07039	11.0
83.08623	45.4
84.95034	2.0
91.05486	8.9
93.07036	9.0
94.70074	2.1
95.08614	9.9
97.06487	2.2
100.88098	1.9
101.16594	2.0
105.07027	6.5
107.08590	7.0
109.06520	5.0
109.10094	4.1
111.08122	2.4
117.54188	2.3
119.08560	5.1
121.06531	6.0
121.10187	3.2
123.08055	2.9
124.34200	2.4
131.08577	7.1
133.10136	9.1
135.08054	4.6
135.11630	2.3
143.08496	2.5
145.10127	5.1
147.11664	7.0
147.15761	2.3
148.10182	2.5
149.09604	2.8
149.13217	2.4
151.11217	2.6
157.10120	2.5
159.11659	3.3
163.11186	4.1
173.13327	3.9
197.13171	2.5
239.17915	3.2
247.20541	2.5
257.18979	9.4
275.20050	94.6
276.20401	6.3
293.21060	35.1
351.63541	2.5
375.28992	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
56.05025	1.0
57.03417	2.2
57.16799	0.6
58.06598	9.3
61.02923	3.7
61.03170	0.6
63.06559	0.7
67.05485	1.9
69.03434	5.9
70.06597	3.3
70.53044	0.7
71.04996	0.8
71.44733	0.7
72.08143	1.6
73.02924	1.2
74.06063	0.8
74.51842	0.6
79.05483	1.3
81.03406	2.8
81.07048	1.2
83.08616	0.8
84.08157	1.3
85.02406	1.4
85.02902	24.2
91.03931	1.3
91.05478	1.3
93.07053	0.9
95.08614	1.1
97.02895	6.2
99.04452	0.9
108.08104	1.1
109.02895	1.7
122.03666	1.1
126.09137	1.1
127.03915	3.7
137.05974	100.0
138.06322	3.7
144.10190	6.1
145.04939	6.6
151.07578	1.7
157.30492	0.7
179.07027	33.9
180.07355	1.9
180.08733	1.7
197.08124	7.1
312.25244	0.9
314.26907	1.7
330.26315	3.6
340.24612	0.7
358.25876	3.4
360.05811	0.7
374.59305	0.8
376.26907	37.7
377.27377	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	376.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	16.3
57.07076	1.4
66.19038	0.6
69.74883	2.0
70.06586	1.5
71.95262	1.5
72.96038	1.1
80.94831	1.0
88.07633	1.9
97.96809	3.2
98.22668	0.6
98.97569	0.7
99.03222	0.5
106.57396	0.7
110.97553	5.2
115.97846	1.9
116.98626	1.1
123.01185	1.1
128.98593	7.8
129.09102	0.6
133.98880	0.7
137.02763	0.7
141.02168	0.6
143.00177	1.0
146.99657	4.6
152.00160	1.0
152.94102	0.6
158.02538	0.6
161.01241	1.6
171.03307	1.7
185.04874	0.9
189.04398	1.2
203.05850	0.8
205.07402	0.7
209.08334	0.7
259.10187	0.6
263.09515	1.8
277.11096	2.1
291.12598	0.8
312.32498	1.0
313.32980	3.2
314.32883	0.6
317.17831	28.8
318.18289	2.3
333.17416	1.9
335.18915	100.0
336.19223	6.5
353.19977	22.4
354.20309	1.3
358.20532	15.3
359.20786	1.2
375.36588	10.1
376.21564	2.4
376.25919	1.0
376.37003	3.5
399.23224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.1
56.90071	0.6
58.06599	21.5
58.29524	0.7
58.51379	0.8
67.05511	1.6
70.06573	1.1
72.08142	2.3
79.05497	1.3
81.07048	2.4
84.08160	1.6
93.07037	1.9
95.08578	2.4
104.05114	0.7
108.08080	1.5
119.08607	0.8
126.09129	1.2
144.10187	4.5
161.13338	1.0
210.18633	0.8
276.23477	0.8
279.76642	0.7
294.24298	2.4
296.25919	3.7
312.25305	7.2
314.26825	6.6
315.27280	0.8
330.26355	13.7
340.24881	1.3
358.25848	5.3
376.26907	100.0
377.27258	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	376.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68994	0.2
55.05511	0.4
56.05039	1.2
57.03437	0.4
58.02975	0.2
58.06602	14.4
67.05507	1.9
69.03438	0.5
69.07076	0.5
69.21131	0.2
70.06592	0.9
70.84354	0.3
71.04986	0.4
72.08153	1.9
74.04777	0.2
74.06051	0.2
74.93290	0.2
79.05476	1.1
81.07057	1.6
82.06563	0.5
83.04966	0.3
83.08612	0.3
84.08142	3.8
85.06541	0.3
86.06075	0.6
86.09715	1.0
88.07629	0.9
91.05499	0.5
93.07043	1.0
95.04985	0.4
95.08630	1.2
95.09140	0.2
96.08107	1.5
97.06534	0.6
98.06042	0.4
98.09684	1.2
100.07610	0.8
105.07015	0.3
107.08585	0.5
108.08117	5.4
109.06406	0.2
109.10158	0.4
110.09688	1.3
116.07070	0.4
118.08678	0.3
120.08095	0.7
122.09714	0.2
124.11195	0.3
126.09154	9.7
128.10709	1.4
130.08624	0.3
135.11678	0.3
144.10201	32.9
145.10526	0.7
210.18617	0.3
222.89435	0.2
233.16481	0.3
252.23413	0.2
276.23267	0.9
278.24670	0.6
294.24277	3.1
296.25854	2.6
297.26013	0.3
312.25327	9.5
313.25714	0.5
314.26889	5.0
315.27188	0.3
322.23694	0.2
330.26379	17.1
331.26981	1.1
331.30252	0.2
340.24863	0.7
358.25925	4.7
358.29910	0.4
376.26917	100.0
377.27252	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	376.2849
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
54.20827	0.4
56.05029	0.8
57.03423	0.6
58.06595	1.3
67.05509	1.1
70.06580	0.8
70.30696	1.0
72.08154	4.0
80.94878	0.9
81.07026	0.8
83.04991	0.6
84.08128	1.4
86.06067	1.5
87.06841	1.2
88.07629	1.0
89.28833	0.4
91.05486	8.1
93.07037	0.6
95.04970	3.4
96.08123	2.6
98.09695	5.9
100.07594	0.5
102.09171	1.6
105.07032	0.6
108.08126	3.3
109.06503	0.8
111.27982	0.4
112.17999	0.4
116.10767	0.5
117.07038	4.2
117.85700	0.5
124.11243	0.6
126.09149	12.1
129.06995	1.4
131.08580	1.8
140.10687	0.5
142.12270	2.1
143.08572	1.2
144.10196	100.0
145.10553	2.6
190.59317	0.5
288.92090	1.1
293.92813	0.6
295.20578	1.2
326.25009	0.6
329.45172	0.5
344.25861	13.7
345.26157	1.3
358.27325	3.3
376.21210	1.1
376.28467	17.3
377.28989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2847
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
55.05506	1.7
56.03986	0.7
57.03444	1.6
58.06594	2.2
62.06090	3.8
63.79505	0.7
65.03934	1.3
67.05490	3.0
69.07059	3.6
69.57294	2.4
69.61405	0.6
72.08157	11.4
79.05489	5.1
80.94848	1.0
81.07059	9.0
81.08263	0.7
83.08620	2.7
91.05481	67.2
91.30788	0.6
92.05846	1.1
93.07056	1.3
95.04965	6.1
95.08620	1.2
97.06516	4.3
97.10212	0.7
98.09721	0.9
98.23399	1.2
99.08082	4.4
102.09210	1.3
103.05476	1.5
105.07030	9.6
107.04961	3.0
107.08586	0.8
108.61816	0.6
115.05447	2.0
117.07019	81.8
118.07352	2.0
119.08607	1.6
121.06523	5.5
128.06232	3.0
129.07008	29.3
130.07310	0.9
131.08569	6.5
143.08565	29.7
144.08934	1.5
144.10211	1.1
157.10135	3.0
185.13258	22.1
186.13605	0.6
203.14325	9.0
210.27940	0.7
288.92023	0.9
295.20380	0.8
315.23279	1.2
358.27386	13.8
358.76221	0.8
376.28467	100.0
377.28778	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	376.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24604	1.6
56.05029	2.4
56.17003	1.6
56.52903	1.5
57.03430	2.5
64.74984	1.5
65.37972	1.6
66.37919	1.5
67.05499	4.0
69.07064	3.9
69.58951	4.3
69.59356	3.5
72.08161	3.8
76.40907	1.6
79.05499	5.3
80.94841	2.7
81.07059	10.6
91.05487	10.0
93.07040	5.8
95.05003	1.9
95.08605	6.9
97.06525	4.4
98.09687	14.1
99.08068	2.3
100.33855	1.6
101.37922	2.0
105.03391	39.1
105.06997	2.6
107.08586	2.1
117.07012	6.7
119.08592	4.2
133.06482	2.4
133.10118	2.3
141.07021	3.3
142.12277	9.3
145.10071	1.6
156.34015	1.8
358.27414	6.4
376.28473	100.0
377.28699	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	376.2848
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
57.03434	2.7
63.01147	1.4
67.05494	3.1
69.07056	3.0
71.05040	2.6
71.05415	2.1
72.04546	1.8
72.08154	3.8
79.05477	2.2
81.07046	6.2
91.05480	5.5
95.05026	2.6
95.08620	3.4
97.06540	3.2
98.09698	16.3
99.08093	2.0
105.03397	29.7
107.08619	2.4
117.07038	3.2
119.08614	2.1
133.06461	2.1
142.12259	6.5
153.75708	1.5
168.70345	1.9
288.92255	2.2
358.27344	9.3
376.28464	100.0
377.28943	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	376.2848
Annotation	NAla
Peak:m/z	Relative Intensity
54.53357	1.6
55.05513	7.9
56.05025	4.6
56.96554	2.9
57.03441	8.8
58.02948	2.4
58.06598	16.1
60.04213	1.7
60.04526	28.0
67.05505	21.1
69.07072	20.4
70.06594	4.3
71.08634	2.5
72.04504	1.7
72.08157	5.3
75.80538	1.5
79.05494	19.5
81.07059	26.4
83.04971	1.7
83.08601	3.1
84.08144	52.7
85.06535	2.0
86.06067	16.4
88.07635	3.2
88.11208	1.5
91.05481	84.3
92.05817	3.8
93.07042	18.7
93.53789	1.4
95.04954	2.5
95.08617	24.4
96.08152	2.8
97.06528	19.2
97.10181	2.9
98.09705	1.9
98.23451	2.8
99.08102	2.5
100.07592	1.9
101.56564	1.3
105.07028	14.6
105.22797	1.4
107.04978	1.8
107.08595	15.7
108.08124	1.6
109.10155	5.8
110.09693	6.1
112.07588	5.7
114.09167	1.7
115.05482	1.7
115.07567	4.0
117.07018	40.9
121.10162	9.8
123.11697	2.0
125.09703	1.7
128.10713	19.3
129.06990	7.6
131.08565	53.7
132.08815	1.4
133.10164	1.4
135.11679	7.1
143.08551	5.9
145.10127	6.0
149.13205	2.4
155.08591	1.8
156.10205	87.2
157.10181	6.2
169.10159	2.5
171.11757	3.5
183.11774	1.8
185.13248	2.0
199.90076	1.6
281.22696	7.1
299.23770	1.9
312.26797	11.1
317.17975	5.8
330.27899	100.0
331.28271	5.8
335.18991	15.0
340.26468	15.0
341.26837	2.8
348.28961	36.2
349.29132	2.7
353.20145	3.7
358.27383	90.7
359.27820	8.4
375.36453	2.5
376.28412	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01878	0.9
55.05518	2.8
56.05042	2.1
57.03447	4.0
58.06606	4.7
61.01154	1.3
65.03935	0.5
66.38238	0.4
67.05157	0.7
67.05510	12.4
69.03414	0.4
69.07070	4.2
69.20374	0.8
69.20782	1.6
70.06595	3.1
70.57954	0.3
70.81746	0.3
71.04993	2.5
72.04514	0.7
72.08157	5.4
72.08524	0.5
79.05044	0.7
79.05499	9.7
81.03444	0.4
81.07062	15.9
82.07428	0.4
83.04980	2.0
83.08619	0.7
84.08145	1.0
84.87929	0.4
85.02931	0.6
85.06545	1.6
85.08933	0.5
86.06062	0.6
86.09714	2.3
87.05654	0.4
87.74157	0.4
91.05486	8.4
93.07046	7.9
93.07595	0.6
95.04990	1.0
95.08609	7.9
96.08144	0.6
97.06538	6.1
97.10162	0.6
98.09697	12.6
98.10316	0.8
99.04460	0.4
99.08100	4.6
101.06016	0.7
102.09151	0.4
104.05316	3.1
105.04464	0.5
105.07032	4.6
107.08595	3.1
109.06538	0.5
109.10161	1.3
111.08092	0.7
113.07150	0.8
113.09663	0.9
115.07578	0.4
117.07023	0.8
119.08588	5.5
120.08121	1.6
121.06453	0.3
121.10157	2.9
123.08089	0.5
124.11251	0.5
125.07102	0.4
129.10254	0.4
131.08582	1.6
133.10179	1.5
135.11725	1.6
137.06023	1.7
137.09650	0.5
142.12280	9.0
143.08536	0.7
144.10222	0.8
145.10129	1.5
147.11720	3.1
149.13324	0.5
159.11810	0.8
161.05972	0.4
161.13260	0.8
165.12767	0.8
170.09258	0.6
171.11775	0.4
173.13306	0.5
179.07091	0.8
185.13254	0.5
218.09637	0.6
230.14561	0.4
246.09138	0.8
263.14151	0.4
312.25577	0.4
330.26440	1.3
340.28516	2.0
358.25760	0.8
358.29559	10.8
359.29968	0.7
376.27127	6.5
376.30658	100.0
377.06427	0.4
377.23270	0.5
377.30969	6.8
382.89655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.8
56.05029	4.7
57.03443	6.3
58.06599	7.9
63.48130	2.6
64.70724	2.8
67.05505	21.4
69.03446	4.2
69.07056	13.6
70.06596	9.6
71.04999	4.5
72.08167	6.3
72.88810	2.4
78.61017	2.4
79.05492	15.7
81.07063	41.9
82.06583	3.1
83.04978	5.7
83.08633	8.5
83.71509	2.3
84.08139	23.0
85.06561	7.9
91.05478	21.3
92.05843	3.4
93.07047	19.9
95.04980	6.1
95.08607	48.7
96.08143	4.7
97.02866	2.4
97.06522	16.8
98.09685	13.4
99.08112	8.0
99.10036	3.6
104.34201	2.6
105.03384	12.2
105.07038	18.1
107.04984	7.9
107.07407	4.0
107.08614	9.9
108.08156	2.9
109.06528	4.9
109.10170	8.1
110.09706	5.3
111.08092	4.3
117.07050	5.8
118.06573	2.6
119.08569	23.3
120.08078	4.7
121.10157	10.5
123.08076	3.8
123.11709	3.4
125.09663	3.1
128.10739	13.7
129.07004	3.2
129.11014	3.8
131.08586	4.3
133.06493	4.7
133.10121	15.7
135.11723	7.8
137.13251	8.8
140.10675	2.7
141.09064	3.1
142.12288	3.3
143.08571	3.5
144.08932	3.5
144.10217	3.7
145.10152	3.7
153.05464	8.1
157.10144	3.8
159.11769	3.1
161.13266	45.4
176.14384	3.9
179.14314	48.9
197.15350	14.9
237.18607	5.6
299.05841	2.6
338.13992	2.9
341.22693	3.0
358.27490	7.8
359.24115	14.7
359.27765	13.6
360.25238	15.3
376.24707	7.4
376.28577	8.8
377.19296	7.0
377.25125	100.0
377.28964	18.7
378.26346	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
54.14504	3.2
55.05500	17.5
57.07071	5.5
58.06594	7.0
67.05498	20.3
69.03426	4.6
69.07071	23.4
70.06588	8.1
71.05007	3.5
72.08156	9.1
79.05486	12.2
81.03416	4.0
81.07056	76.4
83.08614	10.0
84.08144	20.6
85.06551	8.3
86.06057	4.1
91.05495	15.4
93.07042	25.6
95.04954	7.8
95.08599	50.7
96.08144	3.4
97.06529	6.9
97.10154	16.2
98.06177	3.7
98.09695	4.9
98.22679	7.9
99.08067	4.4
105.03399	11.5
105.07067	11.2
107.04996	5.1
107.07400	3.8
107.08592	29.8
109.10162	15.8
110.09704	6.1
111.08104	12.6
117.07021	5.5
119.08587	9.8
120.08118	9.3
121.08418	6.2
121.10154	15.2
123.11693	35.1
125.09643	6.0
128.10710	20.0
129.11060	5.3
131.04955	3.4
135.11739	6.8
137.13274	14.8
139.11195	6.5
149.13251	23.2
151.11211	3.6
153.05478	6.8
153.12985	3.8
155.14275	4.7
157.12207	7.1
161.13235	4.8
163.14844	4.1
185.18642	3.5
187.13367	9.3
203.12866	5.6
205.17819	4.4
215.16595	4.8
237.18578	5.9
247.14626	3.6
287.41962	3.7
293.24588	8.3
305.24753	24.3
323.25888	7.7
342.24069	5.8
359.24002	11.4
360.25320	11.4
377.20120	6.3
377.25137	100.0
377.29858	5.1
378.26343	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09529	0.2
55.05498	0.4
56.05029	0.3
58.06594	0.5
67.05502	0.6
69.07073	0.8
70.06577	1.2
71.04977	0.3
71.22298	0.4
72.08144	1.3
73.02899	0.3
79.05478	0.8
81.07052	0.7
81.80470	0.3
82.06572	0.3
84.08148	2.7
86.09710	17.4
91.05463	1.8
93.07038	1.5
95.04963	0.5
95.08628	0.8
97.06528	0.6
98.09700	0.3
103.05472	2.9
105.03413	0.9
105.07024	0.6
107.04976	0.8
107.08601	0.4
110.09678	0.7
111.07160	0.3
120.08107	100.0
120.79758	0.3
121.08446	2.3
121.53188	0.3
123.04509	0.5
128.10718	9.0
142.12256	0.4
143.08496	0.3
153.05446	0.3
156.10194	1.9
185.36523	0.3
223.10779	21.0
224.11124	0.4
277.93448	0.3
342.24332	0.7
358.15347	0.3
360.25293	2.8
378.26343	11.5
379.26620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86095	0.5
55.05258	0.7
55.05513	10.1
55.43808	0.5
56.05024	1.0
57.05817	1.0
69.07056	0.7
70.06596	2.3
70.69396	0.9
72.08155	100.0
73.08488	2.1
74.10026	0.5
78.89168	0.5
81.07054	1.4
86.09706	67.1
87.10035	1.4
91.05487	1.0
93.07075	0.9
98.09686	0.6
103.05455	2.6
107.08567	0.8
120.08103	99.3
121.08498	2.7
128.10689	1.9
132.10217	1.6
166.08646	6.0
185.16492	45.5
186.16809	1.5
199.71500	0.5
213.15974	24.6
217.04706	1.7
219.14929	34.7
220.15189	1.6
247.14413	13.3
248.14763	0.6
255.34160	0.6
265.15366	1.0
279.17032	11.4
280.17328	0.7
351.00833	0.5
360.25464	0.6
360.29874	1.6
378.26456	5.1
379.08124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22914	0.8
53.18004	0.8
56.05035	1.2
58.06605	8.0
63.83635	0.8
64.04768	0.8
67.05497	1.0
68.72164	0.8
69.03429	0.9
69.77870	0.8
70.06593	20.3
72.08160	2.5
74.06098	0.9
79.05500	1.1
81.07069	1.8
84.08148	4.9
88.03992	1.2
91.83921	0.8
93.07028	1.8
95.21741	0.7
96.08141	1.9
100.07624	1.7
103.63515	0.8
108.08125	6.7
109.28868	0.9
110.09677	3.6
114.09208	1.1
120.08113	3.5
122.09689	2.5
126.09160	10.4
128.10698	0.9
140.10686	3.2
143.06892	0.7
144.10201	32.9
158.11772	3.9
160.34511	0.8
177.48224	1.0
185.04294	5.4
185.09239	3.4
213.08662	1.1
217.04698	2.1
222.98872	0.8
263.13858	1.8
264.14124	1.0
264.20718	0.9
265.64240	0.8
324.25388	1.7
342.26331	3.8
360.27386	5.7
378.28488	100.0
379.09970	14.5
379.28830	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	378.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93816	0.7
54.15139	0.8
55.05503	2.8
56.05033	1.1
57.03443	6.8
58.06618	0.9
67.05505	6.2
69.07069	5.8
70.06599	1.2
71.44923	1.2
72.08164	5.0
73.06544	1.0
79.05495	3.7
80.94832	1.1
81.07059	8.4
83.08607	1.1
84.08151	1.7
86.82133	0.7
91.05473	6.3
91.68452	0.8
93.07030	2.4
95.04987	0.9
95.08630	6.7
97.06531	6.3
97.10193	1.0
98.09691	18.1
99.08099	5.1
105.03383	1.0
105.07049	2.0
107.04957	23.8
107.08604	1.1
108.05197	0.9
109.10162	1.6
112.40231	0.8
113.09631	1.4
117.07033	3.6
119.08599	1.5
121.06505	1.7
121.10102	1.3
122.09724	1.1
128.10687	0.9
128.19783	0.9
129.06989	1.4
131.08609	2.7
133.06494	11.4
135.11641	1.0
142.12271	7.9
143.08578	2.0
144.10233	1.8
147.08052	18.3
159.08032	1.0
161.09647	1.7
173.09628	0.9
173.76089	0.8
221.99452	0.8
238.89217	0.9
360.28964	7.0
378.30054	100.0
379.30338	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	378.3002
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
55.01873	0.6
55.05507	1.5
56.05027	1.5
57.03183	0.7
57.03440	9.5
58.06606	0.5
67.05509	4.8
69.07067	3.6
70.06599	0.6
70.10266	1.0
70.50381	0.4
71.05002	0.5
72.04510	1.4
72.08157	5.0
79.05489	2.6
80.69222	0.4
81.07056	5.7
83.08611	0.7
84.08160	0.7
85.06552	0.5
91.05485	1.6
93.07050	2.0
95.04960	0.9
95.08598	4.0
97.04335	0.4
97.06544	2.6
98.09695	17.7
98.22752	0.5
99.07505	0.5
99.08065	2.4
102.09207	0.6
105.07033	1.4
107.04956	22.4
107.08611	0.8
109.10174	0.9
113.09650	1.0
115.07550	0.4
119.08563	0.7
120.76319	0.4
121.06481	1.2
121.10137	0.5
123.11790	0.4
124.11235	0.8
125.09621	0.7
133.06496	10.6
135.11652	0.8
142.12289	6.3
145.06493	0.8
147.08046	14.5
148.08368	0.5
159.08089	0.7
161.09654	1.8
200.28862	0.5
201.12805	0.5
337.72104	0.5
342.27802	0.9
360.28964	7.6
361.29260	0.6
378.30020	100.0
379.30350	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	378.3002
Annotation	Madangolide
Peak:m/z	Relative Intensity
52.79713	0.5
55.05497	2.2
57.03441	20.9
62.06105	3.4
65.03931	1.0
67.05511	6.4
69.07065	5.7
70.18068	1.3
71.04982	1.5
72.08158	8.6
73.67994	0.5
77.94173	0.5
79.05495	3.7
81.07059	10.3
83.08633	1.3
85.06547	0.6
87.08099	0.5
91.05484	23.1
92.05844	0.6
93.07050	2.7
95.08604	6.3
97.06530	5.3
97.10188	0.8
98.09673	0.9
99.08099	6.3
102.66376	0.5
105.07053	3.5
107.08582	1.7
109.10142	2.2
113.09642	5.5
115.05489	0.9
115.07581	1.5
117.07024	16.8
121.10139	1.2
123.11708	1.0
129.06999	2.0
131.08568	26.0
132.08900	0.9
133.16580	0.4
135.11673	1.6
143.08569	2.0
145.10139	2.5
151.89577	0.6
155.99420	0.6
156.13815	0.7
157.10133	1.1
168.83618	0.4
171.11635	1.2
185.27489	0.5
281.22629	0.6
360.28940	1.4
378.30029	100.0
379.30432	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	378.3005
Annotation	Madangolide
Peak:m/z	Relative Intensity
55.01867	0.6
55.05505	1.3
56.05030	0.9
57.03439	7.9
57.07055	0.3
58.06598	1.2
65.03918	0.6
67.05504	4.3
69.06721	0.4
69.07065	3.4
69.85172	0.6
69.85538	0.5
70.06590	0.6
71.04981	0.6
72.04513	1.2
72.08161	7.2
79.05497	5.0
80.94862	0.3
81.07059	7.8
83.04977	0.6
84.08153	0.9
85.06557	0.8
85.08911	0.5
85.81141	0.2
86.09699	0.3
91.05482	22.0
92.05804	0.7
93.07048	2.6
95.04987	0.6
95.08611	4.3
96.08141	0.4
97.06532	2.7
98.09697	19.4
99.08092	2.8
99.10013	0.4
102.09175	0.8
103.84865	0.4
105.03417	0.3
105.07038	2.4
107.04971	1.2
107.08609	1.2
107.41512	0.3
109.10177	0.7
113.09641	1.7
114.12867	0.3
115.05468	1.5
115.07591	0.5
117.07020	18.6
118.07383	0.7
119.08562	0.8
121.06480	0.3
121.10150	1.2
124.11213	0.9
125.09642	0.8
126.09133	0.5
128.06218	1.1
128.10710	1.1
129.07011	6.8
131.08562	5.9
133.10144	0.5
135.11708	0.6
141.07010	1.3
142.12265	8.0
143.08565	6.3
144.09004	0.5
144.10214	1.4
145.10152	1.0
155.08524	1.1
157.10190	1.5
158.15416	0.6
169.10146	0.9
171.11700	0.8
181.10225	0.4
183.11702	0.6
185.13295	1.2
197.13463	0.3
209.13225	0.3
238.89047	0.4
249.06886	0.3
252.06537	0.3
292.47464	0.3
324.26703	0.5
342.23975	0.6
342.27890	5.8
343.28043	0.6
360.25400	0.8
360.28992	19.5
361.25500	0.3
361.29370	1.8
378.30048	100.0
379.26294	0.3
379.30350	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	378.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01886	0.7
55.05514	3.4
56.05029	1.4
57.03439	7.3
58.06594	1.4
60.80259	0.5
65.03947	0.6
67.05502	6.5
67.38972	0.5
69.07063	5.5
69.49782	0.5
70.06575	0.9
70.36834	0.7
70.37148	0.7
71.04976	1.1
72.04528	1.0
72.08150	7.3
79.05488	7.4
80.94823	0.9
81.07058	12.7
82.07374	0.6
83.05003	0.7
83.08633	0.9
84.08144	1.0
86.09733	0.7
91.05481	26.6
92.05811	0.8
93.07053	5.1
95.08605	8.3
96.08143	0.8
97.06527	6.8
97.10181	1.0
98.09692	25.6
99.08086	5.3
100.08430	0.5
100.11240	0.9
105.07032	4.3
107.04981	2.8
107.08596	2.1
109.10179	1.2
110.09722	0.8
113.09654	2.4
115.05458	1.5
115.07572	0.8
117.07018	30.5
118.07381	1.6
119.08576	1.4
121.10173	1.3
124.11227	2.1
125.09630	0.6
126.09174	0.9
128.06181	2.0
128.10684	0.8
128.41913	0.5
128.64584	0.5
129.07002	11.0
131.08566	7.8
133.10153	1.6
135.11620	1.4
141.06967	3.0
142.12270	11.6
143.08557	11.8
144.10190	6.0
145.10159	1.4
155.08578	0.7
156.13832	4.0
157.10133	2.5
158.10735	0.6
169.10121	1.0
171.11685	1.5
183.11726	1.0
185.13254	2.2
211.14818	1.0
297.22266	0.8
342.27869	4.6
360.25244	2.9
360.28983	36.8
361.29321	3.7
361.33023	0.6
378.30075	100.0
379.25925	1.0
379.30399	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	378.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05512	2.5
55.27164	0.4
56.05026	1.5
56.46946	0.4
57.03444	5.0
57.07069	0.6
58.06602	3.4
65.03939	0.5
67.05511	3.5
69.07059	1.4
70.06586	1.6
71.04988	1.4
71.07403	0.4
71.44987	0.4
72.04518	0.5
72.08160	2.3
73.06567	0.6
79.05492	1.7
79.65292	0.4
81.07058	2.9
83.04979	1.8
84.08143	2.2
85.06539	3.3
85.08911	1.4
86.06055	0.8
86.09704	1.0
91.05482	19.9
92.05827	0.5
93.07061	2.1
95.04992	2.3
95.08620	3.0
96.08123	1.4
97.06532	1.3
98.09689	7.4
99.04454	0.7
100.07621	0.7
100.11246	1.3
102.09179	12.6
105.07047	2.2
107.04952	2.7
107.08572	0.6
108.08109	0.5
109.06489	1.0
109.10155	0.9
110.09667	1.8
111.08089	0.7
112.11250	1.0
113.05989	2.2
115.07541	0.7
117.07019	6.8
121.10144	0.6
126.09171	0.7
128.07127	0.4
128.10713	1.8
129.06990	1.2
131.08562	6.7
133.06592	0.6
137.05962	2.6
140.10629	0.6
143.08546	1.9
144.10204	6.6
145.10103	1.0
147.08037	0.9
157.10155	0.6
158.11766	2.9
160.09691	1.5
169.10236	0.5
178.30981	0.4
238.88785	0.7
272.25699	0.9
297.22076	0.5
301.24261	0.4
342.24457	0.5
360.25223	0.8
360.29050	5.9
361.29318	0.7
378.30045	100.0
379.25931	0.5
379.30408	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	378.3004
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
58.06561	1.9
59.04997	2.1
63.02673	1.5
63.79472	1.5
64.16847	1.7
67.05489	3.9
69.07067	1.8
70.06577	3.9
72.08150	20.7
78.78104	1.4
79.03041	1.6
80.94843	2.8
81.07041	2.2
86.09688	4.1
91.05474	12.8
95.08620	1.4
105.71986	1.5
110.09685	2.7
117.07002	5.0
124.11198	3.5
131.08546	7.3
137.05971	5.8
144.10161	1.9
145.10121	1.8
149.65210	1.4
154.51469	2.0
173.30640	1.6
180.17467	2.0
318.24146	1.7
360.28928	9.0
378.29999	100.0
379.30307	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	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
56.05026	1.1
61.79528	1.0
69.07070	0.9
69.56327	3.7
70.06597	3.7
72.08156	8.8
77.21758	1.0
81.07060	1.2
84.04524	0.8
84.08176	1.0
85.02898	1.3
86.09698	7.9
88.04023	1.0
88.32327	0.7
91.05486	1.7
93.07053	1.2
95.04948	0.9
95.08614	1.1
97.06579	1.0
98.22775	1.0
99.09209	0.9
114.09171	11.7
119.08606	0.8
120.08107	16.1
120.08896	1.3
120.81080	0.8
127.03976	1.0
127.08600	1.0
137.87146	0.8
150.09157	1.0
152.07115	1.6
163.11357	1.1
175.08734	0.8
181.12375	1.0
185.04221	34.3
186.04671	0.9
205.88432	0.8
216.12303	0.9
217.04721	100.0
217.15552	1.7
218.05008	4.2
224.17091	0.9
232.13026	1.1
234.12357	1.5
244.09119	0.8
245.09447	2.2
259.16599	4.7
260.17383	0.9
351.08658	1.9
378.31506	4.2
379.10077	59.0
379.14609	2.7
379.20169	1.9
379.31729	1.2
380.10251	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05261	0.7
55.05512	8.4
57.03449	0.6
57.07071	3.0
59.04994	1.1
60.77572	0.6
65.03936	0.7
65.89484	0.6
67.05503	13.0
69.03422	1.2
69.07067	14.1
69.37891	1.9
69.38284	1.1
71.04994	6.9
71.08632	1.1
73.06547	0.9
79.05492	9.5
81.07058	20.8
83.04974	3.2
83.08604	3.8
85.06545	5.2
87.02313	0.7
89.06040	1.7
91.05484	9.6
93.07050	20.0
95.04964	2.3
95.08608	15.1
97.06514	4.6
97.10168	1.5
98.97562	1.0
99.08077	1.9
105.07026	7.7
107.08595	19.3
109.06528	7.6
109.10184	4.0
111.08080	1.9
111.11715	0.7
119.08601	10.4
121.06504	2.3
121.10146	8.4
121.98725	0.8
123.08056	5.8
123.11716	4.4
125.06007	1.2
125.09631	1.7
131.08580	1.1
133.08586	1.1
133.10112	3.0
133.76692	0.7
135.08057	32.5
135.11694	6.4
136.08409	1.1
137.06026	3.9
137.09604	2.4
137.13232	1.4
139.07530	5.3
143.08569	0.8
145.10126	2.7
147.08093	0.9
147.11687	10.2
148.12059	0.8
149.09657	4.1
149.13240	2.1
150.06773	1.5
151.07573	2.0
151.11192	0.8
152.08292	2.1
153.09082	1.7
153.12733	1.1
157.10185	1.0
159.11697	1.7
161.09630	2.0
161.13220	1.4
163.11201	1.8
165.09117	29.3
165.12755	9.5
166.09518	1.2
173.13249	1.5
177.12747	19.6
179.10669	0.9
179.14359	1.5
183.13785	6.9
187.13210	0.8
187.14812	0.9
191.14325	1.8
193.12253	1.8
195.11893	0.7
195.13821	1.9
197.15378	6.2
201.14873	10.9
208.14670	0.8
215.16437	2.9
220.00719	0.8
263.20123	1.3
274.97440	0.8
287.23840	0.7
291.19623	1.9
294.99496	0.6
305.21136	4.0
319.26285	1.0
323.22226	3.7
327.77493	0.7
329.24832	1.6
338.96854	1.1
347.25800	100.0
348.26175	9.7
361.27777	0.7
379.24146	2.3
379.28406	17.7
379.33221	1.1
380.28619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2845
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01935	0.9
55.05580	4.8
57.07143	13.6
59.05056	1.6
67.05583	5.4
69.06730	2.1
69.07148	23.0
70.06756	1.6
70.07084	1.2
71.05058	1.4
71.08712	5.8
73.06610	1.9
79.05579	7.7
81.07150	10.5
83.05045	0.8
83.08711	2.4
85.06636	4.6
85.10186	4.4
85.81348	0.8
89.06035	18.5
91.05585	5.8
93.07045	21.1
95.05039	1.5
95.08607	7.9
97.06638	2.0
97.10249	1.3
101.09663	17.6
105.07021	5.2
107.07148	0.8
107.08595	22.0
109.06519	5.6
109.10255	3.0
111.07538	0.8
111.08184	3.0
119.08586	3.7
121.06619	1.7
121.10129	9.5
123.08082	5.0
123.11784	1.6
124.08921	0.9
124.74019	0.7
125.06068	0.9
125.09614	4.7
131.08667	2.4
133.08618	6.8
133.10251	2.9
135.08051	21.8
135.11830	3.0
137.06017	3.8
137.09698	1.6
138.06831	0.7
139.07536	8.1
139.11269	0.8
145.10220	1.9
147.11794	2.1
149.09625	4.6
149.13255	7.5
150.06847	1.2
151.11284	0.7
152.08340	4.8
153.09151	1.3
157.10245	1.0
157.82874	0.6
159.11855	2.3
161.13371	0.7
163.11340	1.1
163.15007	0.8
165.09114	17.8
165.12871	2.0
173.13374	1.1
177.11302	1.2
177.12715	7.0
179.14302	5.9
181.15860	10.5
182.16382	0.8
183.15694	0.7
189.12897	1.1
191.14334	5.7
193.12302	0.9
209.15361	15.1
209.17143	1.0
229.21776	0.7
238.75908	0.7
239.14975	2.3
263.20145	2.6
291.19507	4.0
301.25317	0.7
319.26456	1.3
329.24649	1.9
335.25632	1.6
338.96576	0.8
347.25806	100.0
348.26083	8.0
351.39722	0.8
379.28381	38.4
380.28781	3.3
380.32986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20697	1.4
55.01873	2.3
55.05515	8.8
57.06821	1.7
57.07078	18.5
67.05511	10.6
69.07064	17.5
71.04993	8.0
71.08639	9.9
79.05499	9.0
81.07055	27.2
81.07510	2.8
83.04987	2.5
83.08613	5.6
85.06541	5.8
85.10178	6.1
89.06035	11.1
91.05481	11.4
93.07041	18.6
95.04959	3.5
95.08611	19.0
97.06543	6.7
97.10193	3.4
98.98479	3.7
101.09641	1.8
105.07025	9.6
107.08591	19.6
109.06535	5.9
109.10175	4.6
111.08057	3.9
119.08590	10.4
121.06516	2.7
121.10171	11.2
123.08075	6.9
123.11714	2.3
125.09702	1.8
128.10086	1.6
131.08667	1.9
133.08604	4.0
133.10149	2.4
135.08060	25.7
135.11690	8.0
137.06003	3.1
137.13306	1.7
139.07559	5.2
145.10114	3.7
147.11684	10.3
149.09642	3.8
149.13264	3.6
152.08328	2.9
152.81361	1.5
153.09111	2.0
153.12767	1.6
155.01015	4.1
161.09671	2.0
163.11171	2.2
165.09120	25.6
165.12737	9.3
171.11694	1.7
175.11153	1.4
177.11313	2.7
177.12732	14.7
183.13855	7.2
191.14314	2.8
195.12250	7.9
195.13861	2.6
197.15331	7.4
201.14824	8.1
208.14603	2.2
215.16365	3.2
234.63127	1.8
265.57071	1.6
291.19482	1.6
305.21075	5.3
318.61496	1.8
319.26144	2.0
323.22168	4.7
338.96707	2.3
347.25815	100.0
348.26096	9.0
363.31046	13.1
379.28317	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.8
55.05515	4.7
57.07082	15.4
58.80056	1.3
59.05005	2.1
64.95243	1.7
67.05499	8.0
69.07069	35.5
69.23396	8.1
69.53587	1.2
71.04996	1.9
71.08620	4.3
73.06542	2.1
79.05508	9.6
81.07059	11.1
83.08630	3.2
85.06544	4.7
85.10194	3.3
89.06046	6.7
91.05476	10.3
93.07047	25.5
95.04992	2.8
95.08600	11.5
101.09644	20.2
105.07035	6.4
107.08594	29.1
109.06525	4.0
109.10155	4.2
111.08094	4.3
114.43530	1.5
119.08599	4.0
121.10141	11.8
123.08058	7.0
123.11706	2.5
125.09624	4.0
131.08553	1.7
133.08612	2.3
133.10158	3.1
135.08061	26.0
135.11661	3.4
137.05965	4.1
139.07541	10.1
139.55037	1.5
145.10071	2.0
147.11732	2.8
149.09645	3.7
149.13237	8.8
150.06741	2.1
152.08356	4.7
157.10127	1.7
159.11659	2.1
161.09660	1.3
165.09111	23.8
177.12776	5.1
178.13539	1.7
179.14297	4.3
181.15868	12.0
191.14326	6.2
195.12300	4.9
209.15355	15.8
263.20273	3.0
291.19601	2.8
306.81335	1.6
329.24722	2.7
347.25800	100.0
348.26233	9.2
363.31137	5.6
379.28384	34.8
380.28998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.05035	17.5
57.03429	1.6
58.06600	10.3
67.05483	0.7
68.05021	0.5
69.07059	0.8
69.72397	1.1
69.72749	1.4
70.02938	1.1
70.06575	1.2
73.04038	1.7
74.06078	39.8
74.71388	0.5
81.07039	1.7
82.06586	0.7
84.04504	13.8
86.06072	3.3
86.09705	54.1
87.05603	1.2
87.10033	0.8
91.05482	3.1
93.07030	0.9
94.50759	0.5
95.08607	0.6
98.09679	2.8
100.07622	0.7
101.07137	38.8
102.05572	1.0
103.05460	3.1
105.07042	2.2
115.05556	0.5
117.07015	1.0
118.06576	0.6
119.07325	3.5
120.08101	84.8
121.08404	2.8
124.11225	1.6
126.09148	2.3
126.12775	2.0
128.10695	1.3
130.06508	1.9
132.08083	3.1
132.10188	2.3
142.12267	11.2
143.07254	0.6
143.11777	7.3
152.05653	0.9
158.09654	11.5
160.07599	1.6
160.11188	2.4
165.01927	0.8
166.08635	7.8
169.13354	1.0
176.10718	12.0
177.10144	5.1
180.13831	0.7
186.09082	1.0
187.14409	100.0
188.14705	3.7
203.11807	1.3
205.09802	0.7
215.13899	31.3
216.14183	1.3
221.12845	88.5
222.13115	3.2
249.12318	22.9
250.12737	1.7
279.17032	8.0
283.06064	1.1
284.06168	2.8
306.08344	1.0
309.07144	0.9
324.09354	2.3
334.07968	1.0
362.07489	2.9
380.08429	8.5
380.23102	0.7
380.27957	2.1
381.09009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46939	0.6
52.92323	0.6
53.03936	0.7
55.05513	7.4
56.05035	0.9
56.41723	0.6
57.03432	2.7
57.07098	0.8
67.05506	8.9
69.03434	2.0
69.07069	5.8
70.06581	1.8
71.04990	4.9
72.08154	5.1
74.06064	0.6
74.97004	0.6
75.69921	0.6
79.05492	4.9
81.03422	0.6
81.07059	35.1
83.04994	1.6
83.08620	9.7
84.08143	1.2
85.02923	4.3
85.06535	2.4
86.09713	1.9
91.05473	4.9
93.07034	5.5
95.04954	1.8
95.08605	10.8
97.02898	1.1
97.06541	3.3
98.09698	7.0
99.04472	1.1
99.08075	1.6
101.07180	1.1
105.07035	14.3
107.08600	7.4
109.06538	1.7
109.10154	1.6
110.09705	3.4
111.08067	0.7
112.11294	0.7
113.06004	1.9
117.07018	2.0
119.08582	3.9
120.08100	3.8
121.06541	0.9
121.08461	1.5
121.10149	13.4
123.08125	1.4
123.11710	100.0
124.12034	2.8
127.03921	0.8
127.07549	1.0
128.06255	0.7
128.10722	14.7
129.06987	1.0
129.11095	0.7
131.08560	1.3
131.25418	0.7
133.10089	1.0
137.05879	0.8
137.13274	6.2
138.08968	1.0
141.06972	0.7
142.12340	4.6
144.23578	0.7
145.04973	0.8
145.10132	2.3
147.11690	33.3
154.08362	1.0
165.12761	42.3
166.13148	1.5
183.13806	37.4
184.14157	1.8
187.14441	2.1
201.14857	23.8
201.16742	1.2
202.15289	0.8
209.20409	0.6
221.12848	1.0
249.12425	0.9
252.15785	2.8
266.13715	2.7
267.16833	1.4
276.88754	0.7
338.08035	0.6
344.21906	1.0
344.25858	1.1
352.09149	1.2
362.23141	1.3
362.26959	7.3
363.27142	0.8
380.08524	2.4
380.20325	5.9
380.24207	8.2
380.27979	28.6
381.09500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.9
56.05026	2.2
57.03434	2.7
57.07070	1.8
58.06593	1.6
60.34568	1.0
67.05489	8.5
69.03439	1.8
69.07069	5.2
69.38892	2.7
69.39291	4.2
71.04994	3.6
71.24422	1.1
72.08152	4.3
74.06074	2.3
78.01236	1.2
79.05490	6.1
80.27314	1.4
81.07051	32.3
83.05003	1.5
83.08613	9.2
84.08162	2.0
85.02926	2.9
85.06536	1.7
86.09708	1.7
89.56100	1.1
91.05494	4.2
93.07043	5.8
95.08597	7.2
97.06558	3.4
98.09715	5.9
98.23452	2.8
99.08070	1.7
101.07128	1.3
105.07023	15.6
107.08582	7.7
109.06514	1.8
110.09721	2.7
119.08611	4.3
120.08094	6.0
121.10143	13.3
123.11701	100.0
124.12061	3.1
128.10704	14.3
131.08569	2.2
137.05775	2.3
137.13249	6.9
138.08907	2.2
142.12314	3.5
147.11673	39.0
148.12064	1.9
165.12744	48.2
166.13100	1.9
167.10428	1.8
173.12907	4.3
180.10266	2.5
181.08395	2.8
183.13797	54.3
184.14130	2.4
187.14384	2.0
201.14857	33.4
221.12891	1.6
252.15686	22.6
253.06134	1.5
266.13596	9.0
267.16949	2.3
295.15329	1.6
336.25613	1.3
362.26944	6.8
380.08734	1.8
380.20480	53.7
380.24487	9.6
380.28680	21.5
381.20874	3.1
381.28619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01841	2.0
55.05494	3.3
56.05025	1.0
57.03415	3.0
58.06585	1.5
59.04980	1.0
60.04513	1.8
61.02905	2.4
62.78658	0.7
67.05508	3.8
69.03436	7.5
69.07072	4.9
70.06233	1.0
70.06590	12.2
71.04980	1.6
72.08163	5.5
73.02907	1.2
76.87416	0.7
79.05486	1.7
81.03384	2.4
81.07057	10.4
83.04980	0.8
83.08602	2.1
84.04475	2.1
84.08141	3.4
85.02422	0.9
85.02906	17.1
85.06541	1.0
86.06047	1.5
86.09710	4.4
87.04470	1.3
91.03957	1.1
91.05455	2.0
91.12425	0.6
93.07041	1.9
95.08607	5.1
96.06519	0.7
97.02910	6.7
97.06506	0.9
99.04438	1.7
105.07003	3.1
107.04897	0.9
107.08579	2.0
109.02863	1.9
109.06507	1.4
109.10172	0.7
110.07140	1.2
119.08553	3.8
120.08106	1.9
121.10127	2.8
123.08049	1.3
123.11713	4.5
127.03925	3.6
128.10684	1.2
129.10262	1.6
132.67889	0.6
135.11740	0.7
137.09586	1.1
137.13286	1.7
138.46162	0.7
145.04951	2.6
147.11687	7.6
153.12798	0.9
165.09126	2.9
165.12781	5.3
182.15404	41.5
183.10152	2.0
183.13718	1.2
183.15825	1.5
200.16457	47.5
201.11211	0.9
201.14925	1.1
201.16754	1.8
218.17516	100.0
219.17946	4.3
242.17484	1.6
257.83115	0.8
257.85956	1.0
260.18576	1.9
297.20392	0.6
326.19571	0.8
344.20761	2.5
362.21954	2.2
380.18295	1.5
380.22806	28.3
381.20941	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	380.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05288	0.4
55.05510	2.8
56.05032	1.8
56.05292	0.4
57.03186	0.5
57.03443	8.0
57.07056	0.4
58.06597	3.2
66.08231	0.4
67.05511	6.2
69.03415	0.7
69.07072	6.3
69.95346	0.5
69.95697	1.2
70.06587	2.2
70.54220	0.4
71.04990	1.5
72.04520	0.9
72.07787	0.6
72.08161	8.9
73.05316	0.5
73.06538	0.8
79.05499	2.8
81.07055	6.2
81.07498	0.5
83.04984	1.2
83.08629	1.3
84.08157	4.5
85.06561	0.9
85.08921	1.0
86.09717	1.1
88.07628	1.3
91.05480	26.0
92.05835	0.9
93.07044	2.4
95.04975	1.2
95.08600	6.7
96.08164	0.8
97.06549	3.1
97.10181	0.9
98.06071	2.3
98.09693	16.1
98.97591	1.0
99.08107	1.5
102.09178	9.3
105.07038	3.1
107.04927	0.7
107.08598	1.7
108.08136	0.5
109.10164	1.7
110.09643	0.7
110.32973	0.4
111.08037	0.6
113.09646	1.6
115.07581	1.0
116.98615	0.7
117.07018	12.9
119.08588	0.9
121.10151	1.3
124.11229	1.3
125.09637	1.5
128.10744	0.5
129.07010	1.8
131.08557	16.3
133.10193	0.6
135.11707	1.2
142.12273	5.3
143.08615	1.3
145.10127	1.5
155.00452	0.4
157.10191	0.9
158.11778	1.0
158.15405	1.2
160.13351	1.1
163.03915	1.3
171.11768	0.6
185.13287	0.5
200.20120	0.9
201.20534	0.5
207.06546	0.9
213.35110	0.4
220.29536	0.5
239.58560	0.5
254.17439	0.9
274.97586	0.9
281.26199	0.4
299.23517	0.9
307.19000	0.4
326.28485	1.2
338.96808	1.6
344.25763	2.3
344.29544	8.1
362.26801	11.1
362.30597	16.2
363.27197	0.9
363.31006	1.1
380.31586	100.0
381.22510	0.6
381.31955	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	380.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05504	2.5
56.05034	2.4
57.03439	8.2
57.04805	0.5
57.07065	1.3
58.06606	5.4
59.37044	0.5
62.36439	0.6
65.03949	0.9
67.05499	7.2
67.34077	0.5
69.03436	0.7
69.07063	5.7
69.63691	1.3
69.64051	1.2
70.06602	4.5
71.04988	1.2
71.08640	0.6
72.04506	1.4
72.08150	9.2
73.05290	0.7
79.05509	2.8
80.87316	0.6
81.07054	9.2
82.06610	0.7
83.04984	2.1
83.08601	1.5
84.08141	4.3
85.06532	1.1
85.08920	1.7
86.09681	1.1
87.06859	0.6
88.07629	4.9
91.05474	25.3
93.07046	2.2
95.04960	1.4
95.08592	7.2
96.08160	1.3
97.06537	3.6
97.15743	0.5
98.06063	2.2
98.09686	15.3
98.97594	1.1
99.08082	1.9
100.27007	0.6
102.09175	23.9
103.01826	0.8
105.07028	3.8
107.04919	0.8
107.08611	1.1
108.08078	0.8
109.06517	1.3
109.10146	1.5
110.09683	0.8
111.08083	0.7
113.09640	2.2
115.07563	1.1
116.98605	0.6
117.07017	12.6
119.08551	0.8
123.11726	1.1
125.09624	0.7
126.09196	0.7
128.10718	1.1
129.07014	2.2
131.08568	16.7
135.04422	0.7
135.11693	0.7
142.12256	5.4
143.08559	1.7
145.10155	2.6
157.10123	1.1
158.11760	1.4
158.15382	1.2
159.95250	0.7
160.13345	2.2
163.03893	12.1
163.05031	1.0
171.11662	1.1
200.20117	8.9
207.06523	12.9
253.11131	0.8
254.17523	0.7
261.00134	0.6
274.97604	1.6
292.98660	0.9
299.23764	1.4
315.10822	0.8
326.24799	0.7
326.28479	1.2
338.96707	2.3
344.25687	2.0
344.29544	9.1
345.29877	0.8
362.26816	13.7
362.30591	17.4
363.30893	1.2
380.24380	11.9
380.31577	100.0
381.24475	2.2
381.31842	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19874	2.0
66.80498	2.1
67.94537	2.0
70.18454	3.4
86.09486	1.8
90.00290	2.0
116.52056	1.7
128.26634	1.8
189.52672	1.9
201.01657	3.0
219.02760	2.6
316.77295	2.0
381.07947	100.0
382.08084	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71832	2.2
55.84948	1.9
57.25534	1.8
70.94063	3.7
87.92744	2.2
132.63951	2.4
182.91278	2.3
196.37549	2.0
225.56100	2.4
373.39203	2.0
379.05481	2.3
381.07935	100.0
382.07819	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	381.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49605	64.0
61.46429	61.2
70.58833	75.0
70.59174	82.6
72.08171	71.5
76.16537	75.1
76.16994	81.2
128.85507	66.4
131.06903	61.2
151.41196	64.8
177.41010	72.2
220.35628	64.1
381.02548	79.2
381.09641	100.0
381.17014	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10118	36.6
59.43520	38.9
77.04916	41.4
92.62078	40.8
97.60961	40.2
103.83317	44.1
166.07613	43.0
190.95505	40.1
192.39677	36.2
237.02838	58.8
381.09189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25029	1.1
52.48556	0.9
52.95683	0.8
53.94936	1.1
54.85456	1.1
61.92476	0.9
63.78869	0.9
69.77401	2.6
69.77792	2.0
72.31976	0.9
85.69861	1.2
88.97218	0.9
110.09678	1.1
113.82359	1.1
128.10715	3.0
155.04295	1.1
175.41597	1.1
187.03622	1.7
202.05998	100.0
203.06345	4.1
213.50726	0.9
243.08788	1.1
296.90726	1.2
305.61392	1.0
381.13110	3.2
381.21024	2.8
382.25763	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	381.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.5
56.83417	7.9
56.96556	20.1
58.06595	10.7
67.05507	21.6
69.07063	17.6
71.44804	9.7
72.08124	45.5
73.08483	13.2
78.85139	7.7
79.05472	20.6
81.07067	25.8
83.27616	8.1
91.05479	33.3
93.07034	11.0
95.04990	10.1
95.08598	13.3
96.58001	8.5
98.09714	16.0
99.09993	10.2
102.09170	8.9
105.07055	14.8
107.08572	13.4
109.06519	9.2
109.10172	13.5
117.07011	10.6
128.98601	10.7
129.06996	9.8
131.08603	17.0
133.10168	8.1
143.08592	10.2
149.09497	9.9
171.11868	8.5
179.80624	9.5
199.06274	9.6
229.07401	58.3
247.08684	44.4
307.18881	10.6
362.30142	10.7
363.30591	17.5
364.28296	11.2
380.31323	15.5
381.19077	100.0
381.26639	16.1
381.31799	72.2
382.23904	18.1
399.20578	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	382.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
57.03427	0.7
60.04525	14.8
60.12175	0.6
67.05495	0.7
69.03442	1.2
69.07054	1.5
70.02961	3.4
70.06596	4.5
71.04987	0.9
71.44555	0.7
72.08148	2.0
79.05505	0.8
81.07049	1.5
83.06104	1.8
84.08133	2.5
85.02901	2.0
86.09187	0.9
86.09708	14.0
87.05595	15.8
87.89581	0.6
91.05479	8.3
93.04520	1.9
93.07045	1.6
95.04944	1.1
95.06087	1.0
95.08609	1.1
96.08156	0.8
97.06524	1.9
105.06995	1.5
107.04930	1.6
107.08614	0.8
109.06506	0.8
110.07169	27.7
110.07932	1.4
110.09678	6.2
114.09167	2.1
116.07046	0.6
118.06541	1.1
119.04947	7.9
120.08065	1.4
121.06491	3.8
121.10155	1.2
125.09626	1.2
127.08621	2.7
128.10721	35.7
129.11064	3.5
130.06529	1.5
132.08096	1.7
132.10228	3.3
132.39368	0.6
133.06485	1.5
133.10124	0.9
135.04485	1.0
135.06790	5.3
136.07576	75.1
137.06052	0.8
137.07892	2.0
138.06622	1.2
139.11171	1.4
141.09120	2.3
142.12299	0.7
144.08069	1.2
144.10214	1.4
147.04417	0.6
148.07538	1.3
149.05977	1.7
150.09178	1.2
155.08122	1.7
157.12225	1.3
160.07578	19.1
161.07942	0.6
161.09595	1.5
162.09189	1.2
164.11830	1.1
165.05508	5.1
167.10677	3.0
173.12955	0.8
178.08629	17.3
178.13437	3.3
179.09056	0.8
185.11748	3.4
190.08632	1.8
193.09784	0.7
202.08702	1.0
203.10669	7.4
203.12691	1.6
207.07645	3.0
209.13899	2.0
221.11604	1.1
223.10774	100.0
224.11113	5.3
237.13475	2.5
251.10274	19.3
251.14923	6.1
252.10638	0.9
262.74432	0.7
268.16653	0.7
289.15051	0.6
295.16519	3.2
323.12332	0.8
348.10703	1.1
364.24783	1.0
366.12921	4.3
382.25800	11.1
383.16937	1.2
383.26273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09840	1.2
55.01872	2.1
55.05516	5.4
67.05508	6.1
69.07072	2.7
69.70045	4.0
70.10020	1.1
71.08647	7.9
75.25871	1.4
79.05486	8.7
80.05018	2.0
81.07055	8.8
82.02956	1.4
82.06567	2.4
83.08622	2.8
84.97488	3.8
85.01153	1.9
86.99054	2.3
87.02679	2.0
90.99435	1.3
91.05474	6.0
93.07031	4.8
94.06557	2.5
95.04926	1.3
95.08602	3.2
96.04497	4.9
97.01114	4.3
99.02671	1.7
99.08108	5.3
105.07057	2.4
106.06560	1.7
107.08596	5.0
108.04474	1.8
108.08096	1.3
110.02409	2.8
110.06062	2.1
111.02691	5.8
111.08059	1.7
112.02187	7.3
113.00581	4.1
117.07018	2.5
119.08613	1.8
120.08134	2.1
122.06028	6.1
123.02625	2.7
123.08044	1.4
124.02148	1.7
124.11241	3.6
125.00578	1.6
126.03738	3.5
128.01678	9.9
129.07027	1.8
131.08589	3.7
133.10144	3.9
134.06029	1.2
134.09683	2.0
135.02644	3.1
136.02139	2.3
136.07605	2.1
136.11191	5.7
137.00543	2.1
137.04222	1.6
138.03755	3.4
140.01654	5.4
141.99550	1.3
147.02582	1.8
148.11191	1.6
150.03767	1.7
150.12750	1.2
151.02132	1.3
152.01663	5.1
154.03210	4.2
158.09708	1.5
160.11235	1.8
162.03728	1.3
162.09167	1.6
163.02151	5.2
164.01646	2.6
165.07341	2.2
166.03218	3.7
168.04736	1.9
170.07265	1.5
176.10732	2.8
178.03181	2.8
178.06818	2.3
178.12265	5.7
180.13846	1.7
182.10025	5.0
187.07938	1.6
187.09839	1.2
188.10713	3.7
192.08473	1.7
192.13792	2.6
193.06870	1.9
194.10107	2.0
196.13426	1.4
204.13843	2.7
206.11769	4.5
206.15385	1.9
207.08360	1.7
208.11542	1.7
208.13277	9.0
210.09491	15.7
212.10933	2.3
218.10014	1.9
219.08366	2.6
220.07832	5.4
220.13234	1.5
222.09520	2.5
234.09433	1.8
236.11037	4.2
238.08969	11.2
240.10542	6.2
252.10527	1.8
254.12151	2.3
262.09018	2.3
264.10596	6.7
266.12067	3.1
267.10498	16.2
270.11621	2.0
280.10226	1.8
282.11588	5.4
288.19626	3.0
289.20663	1.3
292.17261	4.7
302.15720	1.5
306.20645	3.3
307.21326	3.4
310.18338	2.8
318.18768	1.5
319.28101	1.4
320.16861	10.6
336.19766	2.6
338.17810	21.6
339.18396	1.8
346.18448	4.6
347.16763	2.0
354.20865	2.8
364.19449	19.5
382.20459	100.0
383.20721	7.9
393.98209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01883	4.7
55.05513	5.2
60.04519	2.0
67.05513	4.1
69.03432	3.3
69.07056	11.4
70.06593	6.8
70.70860	1.7
71.04994	12.3
72.08160	3.1
74.06110	1.3
78.42953	1.5
79.05499	9.1
81.03408	1.9
81.07062	5.5
83.04988	6.1
83.06110	2.8
84.08161	3.3
85.02905	14.9
85.06538	4.8
86.09711	25.1
87.04456	10.6
91.05469	3.0
93.04570	2.4
93.07057	12.9
95.05006	1.6
95.08632	4.3
97.02919	2.4
97.06532	17.7
98.22601	1.7
105.07034	2.9
107.08589	21.6
109.02928	1.8
109.10178	3.1
110.07168	32.4
110.09691	3.1
111.04441	4.1
113.06011	37.9
115.03943	5.9
119.08598	2.4
120.08102	2.7
121.10154	26.0
123.04391	1.7
123.08076	3.2
125.05987	13.6
125.09624	40.6
125.10502	2.6
127.03958	1.5
128.10728	15.9
131.08574	7.1
135.11702	2.1
136.07587	8.7
137.09660	1.8
138.06613	2.6
139.11186	16.6
141.09126	2.5
149.09619	15.1
155.10660	2.0
167.10678	40.1
167.62714	1.5
168.11049	1.8
173.12869	2.8
175.07559	1.6
178.13420	7.1
182.08171	4.7
185.11731	88.7
186.12062	4.6
189.87909	1.4
196.05168	1.4
201.12378	3.7
203.12781	100.0
204.13156	3.7
210.50182	1.5
223.15552	7.1
237.12407	5.1
251.15007	8.3
269.11270	3.5
382.15448	3.5
382.21506	9.2
382.26038	7.5
383.16623	10.2
397.32861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01878	3.0
55.05499	4.6
56.05035	2.9
57.03432	4.0
57.36319	1.1
60.04519	4.5
61.02933	2.0
62.22523	1.1
67.05504	7.3
68.05031	1.5
69.03440	11.9
69.07063	6.8
69.14677	7.3
70.06593	10.3
71.04994	12.4
72.08144	4.6
73.02905	1.7
77.68132	1.2
79.05495	15.7
79.80265	1.1
81.03418	2.9
81.07053	10.0
82.06585	1.5
83.04973	4.1
83.06104	3.1
84.08136	5.9
85.02911	16.7
85.06525	2.2
86.09707	11.7
87.04470	10.5
87.05582	4.1
91.05465	11.6
93.04544	3.1
93.07049	20.3
93.13591	1.2
95.04984	9.2
95.06099	2.3
95.08610	13.0
96.08140	2.0
97.02874	3.9
97.06533	7.9
99.04478	2.0
99.08104	1.4
99.48546	1.4
101.06039	1.8
105.07021	10.0
107.04963	2.9
107.08617	6.8
108.08156	2.1
109.02845	1.4
109.06515	4.6
109.10151	4.7
110.06436	2.4
110.07169	38.7
110.09671	18.4
111.04418	2.3
111.08057	1.4
114.09171	5.9
115.03944	7.7
116.07068	1.7
117.06965	1.9
119.04917	5.0
119.08573	3.9
120.08115	4.6
121.06525	5.2
121.10148	25.7
123.04452	8.3
125.06087	1.3
125.09643	1.7
127.03923	2.3
127.11192	3.4
128.06210	1.4
128.10721	100.0
129.05467	1.9
129.10242	1.6
129.11063	2.8
131.08536	2.4
132.08107	1.8
133.06509	1.9
133.10138	18.2
136.07576	20.3
137.05978	8.9
139.11182	23.1
143.08447	1.9
144.10202	3.2
145.04935	2.5
146.07253	3.8
147.04428	2.5
147.07991	1.8
149.05994	11.4
149.09619	5.5
149.34352	1.3
155.08116	1.5
156.07687	1.4
157.12236	30.9
159.08081	2.8
160.07585	4.2
160.08772	1.7
161.09624	32.2
165.05481	79.4
167.10663	11.9
171.13855	7.9
175.11160	4.9
178.08636	3.9
178.13414	4.8
185.11742	29.2
188.08347	5.5
203.10667	100.0
203.12755	27.6
204.13318	1.3
219.05013	1.2
221.11754	13.6
223.10779	24.1
223.15530	5.7
224.11203	1.7
245.18633	1.5
251.10347	3.8
251.15086	11.0
295.16409	1.4
309.09680	2.8
315.22714	1.2
346.23712	1.2
364.24741	4.1
382.21451	9.5
382.25760	35.0
383.07391	1.7
383.16806	9.7
383.21008	1.8
383.26004	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	382.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.7
60.04512	0.8
69.07059	1.3
69.51348	1.0
70.06593	2.1
72.08138	0.5
81.04539	1.1
81.07066	0.6
82.05328	0.5
83.04995	0.3
83.06106	7.7
84.08163	1.9
85.02902	0.7
86.09707	14.2
91.05481	0.3
93.04523	6.6
95.06091	7.0
95.08628	0.3
95.40019	0.3
96.08152	0.4
107.08597	0.7
108.84016	0.3
109.06467	0.5
110.07165	100.0
110.09689	1.2
111.06851	0.3
111.07506	1.9
113.06020	0.4
114.09209	0.4
120.08118	2.1
121.04056	0.3
121.10117	0.3
123.05573	0.5
123.08046	0.4
125.06016	0.5
125.09618	0.5
128.10715	6.8
129.10175	0.4
136.07617	0.6
138.06624	5.4
141.09102	1.2
141.10100	0.3
143.07060	1.5
156.07689	0.5
159.10164	0.4
165.05547	0.3
166.06166	1.1
167.10678	1.0
173.12851	2.9
178.13396	22.6
179.13724	0.6
182.08253	0.6
185.08090	0.4
185.11789	1.8
201.12358	1.0
203.09184	0.6
206.12851	1.6
223.15536	30.6
224.15880	1.2
234.12418	0.9
245.18567	2.8
251.15039	31.7
252.15324	1.0
269.16046	2.4
346.22327	1.6
364.23566	0.8
381.72186	1.0
382.20370	0.8
382.24612	15.8
383.17032	0.4
383.25018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.9
60.04518	4.9
69.04556	0.4
69.07059	0.7
70.02959	0.4
70.06580	2.5
71.44277	0.4
72.04511	0.4
76.16037	0.4
81.03439	0.4
81.04519	1.0
83.04993	0.8
83.05613	0.5
83.06106	8.1
84.08137	1.1
85.02927	0.6
86.09708	26.7
87.05594	3.4
91.05482	0.6
93.04526	6.4
95.06091	6.4
97.06545	0.5
105.81418	0.4
107.08517	0.3
110.07165	100.0
111.07513	1.0
114.09108	0.6
119.04974	0.6
120.08118	0.4
121.03969	0.5
121.10147	0.4
122.07172	0.8
123.04433	1.0
123.05544	0.4
125.05944	0.8
126.09177	0.4
127.08668	1.4
128.10718	9.1
136.07581	4.9
138.06642	4.7
143.06998	1.3
149.28329	0.3
155.08098	0.5
164.38518	0.4
165.05502	2.5
166.06126	1.3
167.10658	1.1
173.12859	30.6
174.13194	0.7
178.13399	14.5
182.08125	5.9
185.11710	1.5
201.12343	9.1
203.09085	0.7
203.10771	0.7
203.12663	0.5
206.12880	1.5
223.15535	21.8
224.15773	0.7
234.12337	1.4
245.18611	2.6
251.15030	31.4
252.15294	1.4
269.11136	0.6
269.16077	2.6
346.22308	2.1
364.23508	1.5
380.57874	0.3
382.19727	2.4
382.24561	15.7
383.16888	1.3
383.24707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80560	0.4
66.36417	0.4
69.40668	1.8
71.28393	0.4
71.34123	0.4
75.36809	0.4
80.94867	0.6
87.94458	0.4
98.22690	0.9
107.12471	0.5
152.05177	0.4
211.90361	0.4
215.12685	0.4
251.73640	0.5
254.12038	0.4
274.97525	0.6
297.82846	0.4
337.21442	0.9
364.19159	0.7
382.27151	100.0
383.27493	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	382.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.33631	0.4
55.01869	1.1
55.05509	1.8
56.05042	0.9
57.03176	0.6
57.03440	6.0
58.06598	0.6
65.03938	0.6
67.05504	5.8
69.03409	0.5
69.07073	3.9
70.06588	0.9
70.21181	1.2
71.04994	4.3
72.04508	1.0
72.07786	0.6
72.08156	6.6
79.05499	9.1
81.03416	1.3
81.07061	6.9
83.04971	1.3
83.08620	0.8
84.08176	1.1
85.06539	0.6
85.08942	0.8
86.09708	0.9
91.05477	6.1
93.07050	5.9
95.04968	1.7
95.08606	4.9
97.06533	5.0
98.09693	18.8
98.23534	0.5
99.08082	3.4
105.07034	5.4
107.08612	3.5
109.06531	1.3
109.10148	0.8
110.07169	0.6
110.09711	0.6
111.08072	1.2
113.06040	0.5
113.09644	0.5
114.36694	0.4
115.07570	0.7
117.06993	1.9
119.08580	2.9
121.06493	0.9
121.10149	1.5
123.08057	3.3
124.11253	1.3
125.09580	0.4
128.10730	1.3
129.07011	1.4
131.08583	2.2
133.10117	2.0
135.08084	0.9
137.09642	1.2
142.12273	14.7
143.08546	1.1
145.10135	1.8
147.11700	1.0
159.11690	0.7
161.13332	0.5
171.11717	0.8
185.15384	0.8
186.14900	5.4
189.12637	0.5
236.54218	0.4
327.95947	0.5
346.27240	2.5
364.28427	11.9
365.28900	0.6
382.29523	100.0
383.25394	0.6
383.29889	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	382.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01864	1.3
55.05506	1.5
56.05028	0.5
57.03185	0.4
57.03440	6.5
58.06602	0.6
59.05007	0.5
62.36627	0.4
67.05504	4.8
69.03426	0.4
69.07069	2.8
69.88680	0.9
70.06596	0.6
71.05001	3.1
72.04527	0.7
72.08157	7.6
79.05489	6.6
81.03419	0.8
81.07058	7.3
83.04986	0.9
83.08640	0.4
84.08143	0.9
85.02907	0.9
85.06529	1.1
85.08920	0.7
86.09714	0.6
91.05482	5.9
93.07049	5.3
95.04980	1.7
95.08601	4.5
97.06528	3.5
98.09695	16.3
99.08084	3.1
102.09178	1.2
105.07030	4.1
107.04971	0.6
107.08588	2.7
109.06525	1.4
109.10167	1.4
109.80159	0.4
110.07195	0.6
111.08102	0.7
113.05986	0.8
115.07585	0.6
117.07033	1.9
119.08585	3.3
121.10163	1.3
123.08076	0.9
124.11220	0.7
125.09624	0.8
128.10730	1.0
129.07019	0.8
131.08572	2.1
133.10149	1.7
135.08017	0.9
135.11731	0.6
142.12271	8.6
143.08563	0.7
145.10124	1.4
147.11725	0.9
149.09589	0.6
151.11229	0.4
156.13820	1.0
157.10135	0.7
159.11687	0.7
161.13264	0.5
171.11691	0.8
173.13364	0.5
185.13283	0.4
186.14915	2.5
256.19138	0.4
259.77991	0.4
319.91199	0.4
324.25250	1.0
346.27365	1.6
364.24121	0.7
364.28470	11.2
365.28882	0.8
382.15051	4.1
382.29523	100.0
383.18439	0.5
383.26151	0.3
383.29895	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	382.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90164	0.2
54.98620	0.3
56.96565	7.8
64.72952	0.2
70.51160	0.3
71.95261	0.6
83.58694	0.3
98.97579	100.0
99.97918	0.6
101.32367	0.2
116.98618	45.5
134.99652	11.0
135.00720	0.3
140.00194	0.9
153.00713	0.7
158.01195	0.3
174.97641	0.4
181.97409	0.4
185.45398	0.2
192.98660	0.4
198.97652	0.3
216.98677	1.6
217.98932	0.4
219.02045	0.4
220.47264	0.3
234.99806	1.9
235.99918	0.6
240.98640	5.8
241.98859	0.4
257.74704	0.3
257.96875	0.6
258.99756	69.7
259.18997	0.3
259.99933	4.9
261.00003	0.7
261.03094	0.9
274.97723	0.4
275.97772	0.5
277.00803	75.5
278.00977	4.9
279.01080	0.4
282.01321	0.8
282.99918	2.2
283.99930	0.6
284.99756	0.7
295.01837	0.5
298.97845	0.4
299.97775	1.0
300.02347	0.8
300.97723	0.5
301.00964	2.4
302.01172	0.9
303.00861	0.4
316.98730	0.3
317.98996	1.4
318.98557	0.5
341.98886	0.8
342.98474	0.4
343.02222	0.5
358.99884	0.7
359.99890	1.8
360.99612	0.6
382.99930	2.6
384.00110	0.5
401.01099	8.7
402.01160	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1493
Annotation	Neoraucarpanol
Peak:m/z	Relative Intensity
69.07095	2.7
71.53230	1.6
73.13960	1.3
80.94837	1.7
88.67805	1.5
96.92231	1.8
164.92099	2.0
165.05569	3.0
179.08493	1.7
183.04440	1.5
183.08093	2.8
184.20578	1.5
193.06528	2.4
194.10773	1.6
195.08176	2.0
197.05988	4.1
198.06773	4.8
204.60822	1.4
209.09328	1.6
210.06773	4.3
211.03981	2.1
211.07565	4.9
213.05446	2.6
220.08923	4.1
225.05495	3.0
225.09119	5.1
226.06229	4.1
235.11214	5.8
237.09207	3.5
238.06335	2.1
239.07045	3.8
240.04256	1.9
240.07637	1.5
241.04993	9.7
242.05586	3.1
247.07739	1.9
248.08319	5.9
249.09106	6.1
251.03334	2.5
251.10594	1.8
252.07755	3.1
253.04984	2.2
253.08636	5.1
254.05763	3.1
255.06458	12.1
255.10265	1.5
256.07330	16.0
261.09082	2.2
262.09921	3.3
263.06967	2.6
263.10770	10.9
264.07959	1.7
264.11472	1.7
265.08563	4.9
266.09671	1.7
267.06561	2.3
268.03690	1.8
268.07401	2.7
269.04514	8.2
269.08096	6.0
276.07925	1.8
277.08655	4.0
278.09445	2.7
279.06564	3.0
279.10071	3.1
280.11017	4.2
281.04462	1.9
281.08170	2.7
283.06055	17.5
283.09641	4.6
284.06729	6.6
285.07581	3.0
291.10144	9.0
293.08365	3.1
293.11768	11.2
294.12436	4.8
295.06207	2.1
295.10120	2.7
295.13245	11.0
296.06711	4.0
297.07538	8.8
299.05478	2.3
299.09125	2.1
300.06387	3.4
306.08871	4.5
307.09683	8.3
308.10297	3.3
310.08386	5.5
310.11911	3.3
311.09048	8.8
313.07123	8.5
314.07831	86.8
315.08374	9.2
321.11230	27.2
322.11929	8.3
323.09122	5.9
323.12772	7.8
325.14160	11.7
326.07962	2.6
327.08578	10.8
338.11572	6.6
341.10239	19.9
352.13147	3.5
353.13846	87.1
354.14230	4.9
383.14917	100.0
383.19968	5.1
384.15271	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	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05499	1.3
55.20221	1.1
56.05035	1.5
57.03421	1.7
61.02925	1.5
61.85881	1.0
65.03934	1.0
67.05493	3.4
68.66426	1.0
69.03424	8.0
69.60023	2.2
69.60373	2.1
70.06590	7.3
71.04990	1.9
72.08147	3.3
79.05507	4.9
81.03403	2.8
81.07053	5.6
82.06578	1.9
83.04984	1.1
84.04530	0.9
84.08142	4.1
85.02411	1.2
85.02906	12.8
86.09711	5.0
87.66515	0.9
91.05489	10.1
93.07025	5.6
95.04964	8.6
95.08614	1.8
96.08148	2.4
97.02885	4.2
97.06529	3.1
98.23457	2.0
99.04411	1.0
103.01170	0.9
105.07030	10.8
107.08636	0.9
108.08141	1.4
109.02869	2.7
109.06511	4.1
110.07170	10.5
110.09679	10.2
111.07475	1.7
114.09163	4.4
115.05475	1.3
116.07093	1.4
117.07050	1.7
119.04984	4.4
119.08566	1.7
120.08086	2.8
121.06495	2.6
123.04413	9.1
127.03895	1.5
127.08685	2.1
128.10721	62.5
129.10242	0.9
129.11084	5.5
131.08594	3.3
132.08105	6.1
133.10126	19.9
133.96265	1.0
134.10503	1.0
135.08005	1.0
136.07576	2.7
137.05966	10.0
139.11232	0.9
143.08565	2.4
145.06543	2.0
146.07234	6.1
147.04370	2.4
147.11682	1.0
149.05983	12.2
149.25665	1.1
155.08253	1.4
157.10109	1.6
157.12259	2.3
159.08006	2.5
161.09624	32.4
162.07491	0.9
165.05481	85.3
166.05791	2.8
175.11154	8.2
176.11334	0.9
178.13409	1.0
179.10646	1.1
186.11990	1.3
188.08342	7.1
203.10672	100.0
204.11043	5.7
204.12872	1.3
221.07631	1.2
221.11722	13.6
221.15384	1.1
222.12170	1.4
223.10716	1.2
224.11064	1.3
252.15334	1.8
268.16321	1.0
280.11792	5.9
309.09692	3.1
365.15765	4.3
365.25000	1.0
382.25876	4.0
383.16769	15.4
383.26114	4.9
384.17245	6.4
384.23187	1.6
384.27673	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01859	0.8
55.05508	3.7
56.05025	0.6
57.03436	15.2
57.07078	2.4
58.06599	0.7
58.99565	0.5
60.34966	0.4
61.02905	0.7
62.40015	0.4
67.05502	20.3
67.45161	0.4
69.03428	1.6
69.07074	2.8
70.06590	1.4
71.04989	2.4
72.08153	3.4
77.00638	2.8
79.05482	2.7
81.03400	0.7
81.07048	5.3
83.08618	4.1
84.08140	1.8
85.02892	3.9
85.06544	2.2
86.09684	1.1
91.05470	3.0
93.07034	1.6
95.04938	1.0
95.08590	1.4
96.08121	0.8
97.02895	1.6
97.06532	2.3
98.09693	4.1
99.04440	0.6
99.08080	1.0
105.07040	2.1
107.08611	0.5
109.02843	0.8
109.06491	0.5
109.10155	11.1
110.07164	0.8
110.09678	1.7
114.09170	1.5
115.09472	0.5
117.07035	0.9
119.08599	0.9
120.08101	13.6
121.06445	0.4
121.10100	0.4
124.11240	0.5
126.09190	0.4
126.12247	0.4
127.03902	1.0
127.11188	100.0
128.10706	7.1
128.11540	1.7
129.06947	0.6
129.11058	1.5
131.08565	0.6
133.10188	0.5
142.12260	1.6
144.10197	1.2
145.04933	1.2
145.10219	0.5
163.06075	0.5
166.17171	0.5
170.11629	0.5
186.14859	1.1
190.37085	0.4
191.11771	3.3
203.10945	0.8
207.07645	0.4
219.11299	1.6
221.12051	12.4
225.40462	0.4
232.20323	0.4
257.06812	0.5
258.89594	0.4
322.92285	0.4
346.27551	0.9
347.27975	0.5
364.28418	4.5
365.28754	3.6
366.13144	0.6
366.26373	0.5
379.60074	0.4
382.26117	1.1
382.29675	10.5
383.16534	1.3
383.20886	1.0
383.25958	2.3
383.30154	7.0
384.27295	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01876	15.7
55.05259	3.2
55.05513	50.6
55.87498	2.1
57.03438	35.0
61.52112	2.3
64.62009	2.1
65.03927	3.7
67.05506	70.1
68.05835	2.8
69.03433	13.4
69.07069	43.0
70.06605	5.7
71.01337	3.0
71.04999	13.5
71.08629	3.6
72.08147	11.6
77.03915	2.7
79.05494	61.7
81.03423	45.0
81.07057	100.0
81.12282	2.5
83.04989	23.0
83.08625	28.2
84.08144	3.0
85.02902	19.1
85.06534	7.8
91.05480	42.2
93.07047	53.9
95.04974	33.7
95.08602	44.9
97.02886	6.6
97.06538	14.6
97.10172	29.5
98.06852	2.5
98.09682	17.5
99.04462	3.3
99.08096	16.7
99.08636	2.8
99.10042	3.3
105.07026	36.3
107.04945	10.5
107.08591	32.5
109.06532	18.7
109.10159	23.5
110.03585	2.5
110.09627	3.6
111.04465	13.6
111.08089	15.5
113.05983	5.6
115.07558	5.6
117.07018	15.7
119.08578	33.8
121.06505	9.1
121.10140	24.1
123.04381	4.1
123.08077	36.2
123.11704	5.9
125.09624	23.4
127.07557	5.3
128.10765	2.9
129.07010	8.6
131.08572	19.5
133.06483	3.2
133.10162	16.3
135.08058	12.3
135.11671	8.4
137.09608	7.5
139.11188	3.3
142.07805	5.1
142.12308	15.3
143.08554	4.4
145.10141	15.9
147.08028	9.7
147.11682	10.4
149.09639	9.9
149.13254	4.7
151.11215	5.9
153.12708	5.3
156.13753	3.5
157.10156	10.1
159.11667	4.9
161.09601	3.2
163.11150	10.8
165.09087	7.0
165.12788	4.9
169.12230	5.8
171.10283	2.7
173.11761	3.2
175.11217	11.9
177.12755	3.0
181.12219	6.8
186.14922	7.3
187.13301	4.6
189.11229	28.8
191.10707	6.4
193.12251	37.6
205.12254	3.8
211.13245	22.6
217.15877	3.2
221.15266	3.4
223.13287	10.9
226.17720	2.6
227.12735	6.0
227.17949	3.4
229.05331	3.5
245.13765	3.8
245.19043	4.1
249.14789	3.0
255.17464	5.7
267.06708	8.4
273.18448	37.1
285.07913	5.3
285.16885	7.2
291.19522	62.6
292.19949	5.3
347.22205	5.4
365.23218	20.5
365.28760	9.4
366.29984	12.5
383.24274	41.7
383.29736	45.2
384.25082	27.9
384.31000	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.9
55.05507	12.4
57.03180	3.3
57.03439	39.2
65.03928	4.6
67.05152	4.3
67.05505	57.9
67.86215	2.4
69.07062	8.8
71.04984	6.4
71.08612	2.5
72.08144	4.4
79.05496	27.6
81.07056	29.4
83.08640	4.9
85.06541	42.1
91.05474	28.9
93.07050	20.4
95.04353	3.3
95.04962	69.8
95.08591	15.5
97.06516	7.8
105.07036	16.5
107.04972	9.0
107.08595	19.9
109.06521	75.1
109.10159	7.4
113.06007	100.0
115.05417	2.7
117.07012	12.2
119.08587	13.1
120.73582	2.6
121.06469	6.7
121.10157	9.0
123.08054	6.3
129.07031	3.6
131.08559	18.3
133.06416	3.4
133.10136	8.8
135.08049	55.0
135.11729	6.6
137.05989	19.7
143.08537	8.7
145.10139	12.5
147.08034	11.5
147.11682	6.1
149.09619	6.0
157.10155	7.4
159.11711	5.8
161.09615	12.1
163.11099	3.2
171.11667	5.0
173.13245	4.7
175.11124	4.3
177.12746	3.8
183.11682	3.1
199.14821	3.6
201.12646	2.9
217.15926	15.4
255.17599	3.5
273.18536	41.3
277.17957	13.1
291.19543	78.4
292.19836	3.6
347.22293	6.1
365.23248	19.5
366.23505	4.1
383.23959	3.9
383.29602	10.1
384.25284	7.3
384.30530	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39458	1.8
53.03940	5.6
55.01871	18.6
55.05511	48.8
55.67640	1.6
57.03434	22.4
57.07074	3.2
65.03936	4.1
65.77682	1.7
67.05502	60.2
69.03423	6.7
69.07066	31.5
70.06593	3.1
71.05002	6.4
71.08622	2.4
71.44488	1.5
72.08160	8.4
75.57536	1.7
77.03923	2.0
79.05492	55.5
79.32427	1.5
80.05827	1.8
81.03416	19.5
81.07057	100.0
82.07391	3.2
83.04977	20.1
83.08616	23.4
85.02898	8.3
85.06536	3.8
91.05482	29.2
93.07045	40.0
93.07598	2.9
95.04965	20.3
95.08599	30.9
95.70972	1.7
97.06537	12.2
97.10172	37.0
98.09708	12.3
98.10278	2.7
99.04460	3.5
99.08090	7.8
105.07032	26.5
106.07308	1.8
107.04935	8.5
107.08590	33.5
108.08969	2.1
109.06521	10.2
109.10155	19.0
110.07162	2.4
110.09677	3.7
111.04440	18.7
111.08099	9.8
113.05984	3.5
115.05450	1.8
117.07031	13.5
118.56367	1.6
119.08579	21.1
121.06509	7.6
121.10145	15.6
123.08073	36.8
123.11659	4.1
125.09630	42.0
129.07005	4.8
131.08556	14.3
133.06512	3.0
133.10123	10.0
135.08046	10.8
135.11699	11.9
137.09639	7.4
139.11214	1.9
142.12274	6.1
143.08586	6.3
143.10675	2.6
145.10130	15.9
147.08052	7.3
147.11687	8.8
149.09636	9.0
149.13251	2.2
151.11272	1.8
153.09087	5.4
153.12778	7.5
155.06012	1.7
155.08585	2.1
157.10130	4.4
159.11697	3.6
161.09625	5.3
161.13237	2.0
163.11172	20.6
165.09113	7.5
165.12787	3.0
170.11745	3.6
171.10216	4.5
171.11656	4.2
173.09610	3.8
175.11200	6.3
177.12726	2.7
181.12268	9.9
186.14882	4.3
189.11221	44.3
189.12639	2.3
190.11557	2.1
191.10672	9.8
193.12273	13.2
209.11649	2.2
211.13197	3.6
221.11714	2.0
223.13300	6.0
227.12762	16.3
229.05176	2.0
232.60992	1.8
245.04610	2.3
245.19061	3.4
249.14867	2.4
255.17413	3.3
263.20078	2.4
267.06763	15.2
273.18488	24.7
274.18832	1.9
285.07813	4.6
285.17438	2.0
291.19531	54.6
291.22650	3.8
292.19839	4.4
309.20590	4.2
347.13354	2.8
347.22028	4.7
365.14178	2.8
365.23221	17.5
365.28738	5.7
366.23181	2.7
366.30069	8.8
383.24063	35.2
383.28171	24.7
384.25156	13.4
384.31042	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52536	2.2
53.03951	16.5
55.01869	10.3
55.05513	13.0
57.03439	21.9
57.07077	3.6
58.62622	2.2
59.04987	2.4
65.03933	2.7
67.05160	3.7
67.05506	62.5
67.21545	2.7
69.03401	2.7
69.07069	23.5
69.21777	13.7
70.06580	9.7
71.04994	24.9
72.08150	8.6
73.02926	2.7
74.11012	2.5
77.03925	4.0
79.05490	48.9
80.19762	2.2
80.27119	2.5
81.03419	34.5
81.06579	3.8
81.07054	74.6
82.91674	2.3
83.04970	8.7
83.08617	9.3
83.68009	2.5
84.04460	2.9
84.08157	2.9
85.06541	7.6
86.09635	2.2
87.04406	3.0
91.04935	3.8
91.05483	48.3
93.07043	54.6
95.01320	12.4
95.04973	27.7
95.08607	45.8
96.08950	2.4
97.06516	20.8
97.10159	4.5
98.09679	10.0
99.08099	11.0
103.05462	2.5
105.04458	3.3
105.07035	31.4
107.04957	33.5
107.08573	21.9
108.29543	2.4
109.06516	48.7
109.10134	12.3
109.69074	2.2
110.09626	2.9
111.04455	2.6
111.08110	4.2
113.06018	5.2
115.05460	3.4
115.07561	9.4
117.07021	25.7
119.08578	16.5
120.43679	2.3
121.06498	15.0
121.10125	10.0
123.04419	4.6
123.08095	16.6
128.06221	4.2
129.06998	10.0
131.07091	3.3
131.08578	28.5
133.06506	5.9
133.10143	13.2
135.08087	28.2
135.11676	19.0
137.09604	2.9
141.06990	6.9
142.12257	4.8
143.08569	12.2
144.09370	2.3
145.06470	11.1
145.10124	15.6
147.08031	8.7
147.11685	6.3
149.09636	7.1
149.13248	9.9
157.10114	8.9
159.08011	9.2
159.11682	23.0
161.09625	16.3
161.13170	2.9
163.11166	6.7
169.10118	6.3
171.11638	4.9
173.09647	3.8
175.11186	8.1
177.12769	19.2
179.14314	2.5
185.09663	2.7
187.11194	8.7
195.11693	3.1
195.13788	3.0
199.11139	7.7
199.14825	5.9
201.12657	3.3
203.14316	4.1
205.12218	3.5
217.15851	21.4
221.15359	8.5
227.18022	4.0
235.16739	2.6
241.14294	3.6
245.18987	3.8
255.17479	8.4
273.18478	100.0
274.18796	7.2
279.15979	7.5
291.19485	15.8
297.16956	10.1
347.22183	9.3
348.28845	2.8
365.23276	97.0
365.28616	9.6
366.23477	4.3
366.30032	12.1
383.24133	13.2
383.29761	18.6
384.25650	5.0
384.31042	27.4
404.16412	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	2.7
54.29761	2.5
55.01863	3.0
55.05512	16.3
57.07060	7.7
59.05005	4.8
65.03908	3.1
65.65683	2.7
67.05503	22.9
69.03412	8.3
69.07062	10.1
71.04990	7.5
79.05495	19.5
81.07056	30.0
83.04974	10.2
83.08604	6.7
85.06544	5.2
87.04541	2.8
91.05482	29.7
93.07041	65.7
95.04976	20.6
95.08606	39.0
97.06538	17.6
99.08075	3.2
105.04517	4.0
105.07027	63.8
107.08604	36.3
109.06516	23.5
109.10135	19.9
111.04449	5.0
111.08092	7.1
117.06988	6.0
119.08569	49.1
121.06490	10.9
121.10140	35.6
123.08062	23.7
128.06216	6.4
129.07004	12.4
130.07780	3.3
131.08559	26.1
133.06493	5.2
133.10130	27.7
135.08061	22.6
135.11714	6.1
137.05937	4.4
137.09601	10.2
137.70703	2.4
141.06976	4.6
142.07788	15.7
143.08562	22.7
144.09280	4.4
145.10124	35.9
147.08028	18.8
147.11732	15.5
149.09607	23.1
151.07559	34.9
153.09149	4.1
155.08560	6.5
155.10599	4.9
156.09311	4.1
157.10132	37.7
159.08025	6.5
159.11646	14.0
160.08716	3.3
161.09604	20.9
161.13211	6.9
163.11203	7.8
165.09123	33.8
165.35161	2.9
167.08540	3.3
168.09288	3.4
169.10110	6.5
170.10938	3.6
171.11673	6.9
173.09567	12.8
173.13258	7.3
175.11162	19.7
175.14796	6.5
177.09097	9.2
181.10083	5.1
181.12236	5.5
182.10927	3.4
183.11676	8.6
185.13226	18.1
187.11073	2.8
187.14839	5.1
189.12747	11.0
195.11641	5.4
197.13283	8.3
199.11076	4.0
199.14703	5.3
201.12698	6.9
203.14355	28.7
207.12019	3.1
207.13783	17.5
209.13292	6.3
209.15298	5.7
211.14899	3.5
215.14342	19.2
221.13333	3.8
221.15340	84.5
222.15831	4.3
225.12593	2.5
227.14273	7.3
229.15753	2.9
233.15419	8.5
234.16168	8.3
237.14764	6.5
247.16927	4.5
259.17142	2.7
261.16379	3.4
269.19028	3.4
281.19009	3.7
283.20657	2.9
286.18988	4.5
287.20038	14.5
299.19949	7.8
303.19479	10.1
327.19275	3.2
327.90579	2.6
338.85651	3.2
365.24591	17.1
383.25745	100.0
384.26105	10.8
392.29559	3.0
399.60025	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44327	1.6
52.96924	1.7
53.03939	1.7
55.05510	10.3
57.07083	9.1
59.05000	4.2
67.05505	20.5
69.03426	9.4
69.07072	8.3
70.06593	2.0
71.04995	4.6
79.05494	17.8
79.76106	1.7
81.03445	1.6
81.07056	25.4
83.04969	5.6
83.08604	2.6
85.06537	5.2
91.05482	26.0
93.07042	59.3
95.04963	16.0
95.08609	30.2
97.06501	8.3
98.09666	2.9
105.07030	57.2
107.04949	2.6
107.08591	24.9
109.06516	19.9
109.10153	14.8
111.08092	7.4
112.44981	1.8
117.07021	5.1
119.08577	36.6
121.06525	9.5
121.10143	33.3
123.08070	21.2
123.11729	2.0
128.06206	4.3
129.07016	5.1
130.07777	4.1
131.08543	17.9
133.06502	4.6
133.10109	22.7
135.08070	14.2
135.11696	4.6
137.05960	2.1
137.09662	8.7
141.06949	3.1
141.12485	1.8
142.07791	11.3
143.08563	20.0
144.09111	1.8
145.10112	27.4
145.11215	2.1
146.07268	2.3
147.08031	21.9
147.11707	9.9
149.09625	16.4
151.07549	32.7
153.09125	4.1
155.08530	2.8
156.09377	5.2
157.10126	31.1
158.10524	2.0
159.08049	6.1
159.11673	12.8
161.09636	19.9
161.13284	3.6
163.11211	5.9
165.09109	37.4
166.88486	1.6
169.10126	4.8
170.10904	2.8
171.07948	1.8
171.11676	6.3
173.09618	7.0
173.13310	4.1
175.11188	18.0
175.14801	7.4
177.09055	8.1
181.12213	3.9
183.11708	5.6
185.09648	2.4
185.13249	15.2
187.11223	5.3
187.14830	3.0
189.12758	8.6
191.14319	3.2
195.11668	4.9
197.13246	2.5
199.11195	3.1
199.14885	1.6
201.12683	4.7
203.14299	31.9
207.11874	3.1
207.13837	9.0
209.13316	4.1
209.15280	4.0
211.11147	1.8
211.14851	1.9
213.12750	4.5
215.10832	1.9
215.14336	7.0
215.95856	1.9
219.13786	2.2
221.15363	100.0
222.15784	3.5
223.14841	2.7
227.14366	4.9
231.13748	3.0
233.15366	5.1
234.16089	9.7
237.14830	2.4
243.13692	2.7
286.19168	5.7
287.19995	8.6
299.20044	8.1
303.19470	12.8
309.18442	4.5
347.23700	3.6
365.24808	10.7
383.25766	86.4
383.36768	9.8
384.26099	5.6
384.38147	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05500	9.5
57.07074	7.1
59.05001	5.7
63.53336	3.5
65.03931	2.9
67.05510	20.7
69.03430	12.7
69.07077	5.6
71.04989	3.7
78.23219	2.9
79.05509	15.9
81.07054	29.6
83.04981	6.6
83.08593	5.3
91.05473	32.2
93.07040	65.4
95.04964	20.1
95.08620	26.4
96.08959	4.4
97.06544	12.3
98.22518	4.7
105.06351	5.2
105.07026	63.7
107.08593	32.1
107.32640	3.7
109.06518	16.6
109.10129	17.4
111.08085	5.2
113.06194	3.1
115.05400	4.0
117.07056	5.0
119.08582	43.7
121.06492	8.9
121.10149	30.7
123.08048	28.1
126.37809	3.1
128.06244	4.6
129.06992	5.7
130.07849	4.2
131.08585	23.5
133.06473	6.1
133.10136	28.9
135.08075	18.3
137.09613	10.6
141.07025	4.9
142.07802	18.2
143.08597	20.5
145.10143	23.5
147.08058	19.6
147.11670	14.4
149.09642	18.5
151.07571	30.3
155.08508	4.8
157.10109	35.2
159.08038	4.6
159.11661	7.9
161.09627	17.6
161.13321	4.2
163.11140	5.3
165.09119	27.3
169.10123	6.8
170.10849	6.8
171.11671	7.9
173.09621	6.0
173.13211	6.6
175.11224	15.3
175.14746	4.2
177.09129	8.8
179.36288	3.5
181.10059	4.1
183.11702	5.2
185.13283	15.8
187.11183	3.5
189.12675	8.8
191.14470	5.0
194.10881	3.3
195.11682	4.8
197.13188	5.9
199.11110	4.2
201.12720	8.0
203.14304	26.9
207.13771	11.7
209.15274	7.4
211.11179	4.3
215.14268	12.8
219.13841	4.3
221.13231	6.2
221.15367	68.3
231.13861	3.8
233.15384	7.9
234.16183	4.6
243.14043	4.0
271.52634	3.2
281.19110	5.6
286.19330	6.6
287.19940	14.1
303.19418	5.5
365.24811	16.6
383.20529	15.9
383.25702	100.0
384.25900	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	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57404	0.7
53.03955	1.3
55.05507	2.1
57.03447	1.2
57.07067	0.8
57.61594	0.8
59.05006	1.7
61.02922	1.3
63.19298	0.7
65.03938	0.9
67.05503	3.0
69.03419	3.1
69.07072	9.5
70.06595	22.2
71.04992	12.4
71.06915	2.2
72.08152	7.9
73.02927	1.1
76.75179	0.8
79.05499	6.3
81.03395	1.7
81.07056	40.1
82.06577	0.7
82.07394	1.3
83.04964	2.4
83.06103	1.4
84.04501	1.4
84.08143	2.6
84.76258	0.8
85.02899	13.1
86.09717	3.1
91.05459	0.9
93.07033	3.8
95.04996	2.1
95.08614	1.9
96.08141	2.4
97.02882	3.9
97.06528	4.0
97.10165	1.6
99.04465	1.8
99.08083	2.2
105.07062	1.6
107.08593	7.6
109.06519	2.8
109.10153	9.4
110.07178	6.4
110.09709	2.6
111.07459	1.0
111.11713	4.5
114.09174	8.4
116.07095	3.0
120.08110	3.0
121.10114	1.9
123.08102	1.1
123.11700	12.0
125.09624	2.9
127.03935	2.1
127.07538	1.0
127.08714	2.5
127.11252	1.1
128.10718	23.1
129.10217	1.9
130.06569	1.2
133.10121	3.0
139.11188	6.6
141.12820	1.2
143.10677	5.6
143.11746	1.5
145.04974	1.3
151.11188	20.9
155.08131	1.3
157.12248	11.5
159.11623	0.9
163.11143	0.9
164.02135	0.9
169.12230	26.1
171.11299	2.0
183.14867	0.9
187.13295	100.0
188.13651	4.0
197.12888	0.9
205.12381	1.5
205.14268	8.0
215.13965	1.2
223.09462	2.4
223.13301	1.6
224.15863	0.7
234.65352	0.9
276.93561	0.9
279.11539	0.8
340.11813	2.1
349.18518	3.2
358.12897	1.4
366.15118	0.9
366.22791	1.2
384.14990	29.1
384.23874	3.3
384.27374	4.3
385.14957	10.7
385.24799	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	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.05510	4.0
56.05027	1.7
57.03428	1.2
57.07065	0.8
58.06586	1.5
61.02938	0.9
67.05160	0.8
67.05503	13.5
68.05006	0.6
69.03409	2.3
69.07052	1.8
70.06302	0.5
70.06599	6.1
70.59128	0.5
71.05000	0.7
71.44834	0.6
72.08160	4.1
73.02895	0.8
79.05489	3.4
81.03403	1.5
81.07059	29.1
82.06567	2.3
83.04993	1.1
83.08633	0.6
84.08142	6.0
85.02911	4.8
85.06534	0.7
86.06068	0.5
86.09710	3.6
87.05571	0.7
87.31817	0.5
91.05472	1.4
93.07066	3.0
94.06572	0.6
95.04977	1.3
95.07347	1.6
95.08595	1.8
96.08125	2.1
97.02878	1.8
97.06560	3.7
97.10165	1.1
98.06009	0.5
99.04433	0.5
105.07009	1.7
107.08575	0.9
108.08124	2.4
109.02871	1.3
110.07135	1.1
110.09686	16.2
114.09176	3.9
116.07087	1.7
117.07024	0.7
119.08592	0.8
120.08106	1.3
121.06496	0.7
121.10129	0.7
123.08047	0.7
123.11713	26.0
127.03941	1.2
128.10721	100.0
129.10201	0.6
129.11049	2.3
131.08562	0.9
133.10063	0.7
137.09618	0.5
141.12749	16.4
142.21790	0.6
143.08270	0.6
144.10191	3.3
145.04961	0.9
145.10129	0.8
149.09711	0.7
159.13815	9.8
163.11217	0.7
171.11505	0.9
183.02831	0.5
187.05992	2.2
187.13345	3.2
191.08397	1.0
205.07065	1.1
205.14352	22.0
206.14668	0.7
229.15131	0.7
300.05801	1.9
348.25351	2.0
366.26471	5.2
384.19870	8.4
384.27499	36.5
385.14209	0.9
385.18472	7.7
385.27011	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	384.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01872	0.8
55.05503	2.3
56.05023	1.3
56.37798	0.4
57.03179	0.5
57.03437	5.6
58.06597	0.9
58.62266	0.4
65.03929	0.6
67.05499	4.8
69.07075	3.7
69.25312	2.2
69.25622	0.4
70.06583	1.0
71.04988	3.7
72.04500	0.6
72.08154	8.4
77.60797	0.4
79.05486	6.8
80.73640	0.4
81.03384	0.4
81.07054	9.7
81.85844	0.4
83.04979	0.8
84.08138	1.4
84.28814	0.4
85.06528	1.1
85.08916	0.8
86.07206	0.3
91.05477	7.2
93.07038	5.5
95.04961	1.2
95.08602	6.0
97.06532	2.8
98.09692	14.1
98.22697	0.7
99.08099	2.5
105.07029	4.4
107.08588	3.1
109.06495	0.6
109.10133	1.1
110.09656	0.6
111.08130	0.5
113.09643	0.6
115.07588	0.6
117.07016	1.6
119.08583	3.3
121.06566	0.4
121.10130	1.6
123.08060	2.5
124.11195	0.8
125.09741	0.4
128.10710	2.2
129.06952	0.4
131.08543	2.3
133.10120	1.6
135.11716	0.7
137.09570	0.5
142.12267	5.8
145.10135	1.6
147.11700	0.7
157.10141	0.7
158.15361	0.4
159.11710	0.5
171.11673	0.7
179.14287	0.5
248.02856	0.4
254.06229	0.5
275.61035	0.4
294.24255	0.7
348.28876	2.2
366.26135	1.0
366.30042	12.3
367.30368	1.2
384.31070	100.0
385.31409	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	384.311
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
57.03438	4.4
62.98167	1.8
67.05493	7.4
69.07068	2.5
70.06567	2.3
71.05000	4.1
72.08145	11.8
79.05486	7.7
81.07057	12.0
84.08143	3.4
91.05497	7.0
93.07049	5.4
95.08618	6.4
97.06536	4.2
98.09705	9.5
99.08059	3.3
99.58961	1.9
105.07031	5.0
107.08606	3.3
108.53642	1.7
125.71552	1.9
128.10674	1.9
129.68352	2.0
131.08578	2.8
142.12268	5.1
144.10207	2.6
145.10172	2.5
148.29033	1.9
184.43330	1.9
292.20480	2.0
320.30130	2.2
366.30023	16.2
367.30179	2.7
384.27420	4.5
384.31107	100.0
385.31345	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	385.1837
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
58.06586	0.3
67.05500	0.4
69.03432	0.4
69.07059	0.3
69.18083	0.4
69.18487	1.2
70.06588	0.6
72.08163	0.5
79.05503	0.4
83.04994	0.6
84.08146	0.5
85.02918	0.7
86.09708	0.4
91.05482	0.3
93.07062	0.4
95.08628	0.3
95.67619	0.3
95.91177	0.3
105.07040	0.5
107.08591	0.4
110.09667	0.8
117.07026	0.3
119.08624	0.3
120.08107	0.8
120.62988	0.3
121.08450	0.5
121.10146	0.3
127.11217	0.6
128.10733	3.4
129.11093	0.8
135.29620	0.3
147.11604	0.3
159.11673	0.3
167.07101	0.3
170.11787	0.5
187.14871	0.8
201.05568	0.4
203.05284	0.4
205.15941	0.7
223.13084	1.4
265.63284	0.3
277.52145	0.3
289.55051	0.3
367.26773	0.6
368.27841	0.4
385.18332	100.0
386.13724	0.4
386.18719	8.2
386.28949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01860	1.5
55.05494	1.3
55.46107	0.4
57.03437	3.5
58.06600	0.8
59.05001	3.3
61.02922	4.0
64.37027	0.5
67.05505	3.0
69.03432	15.5
69.07054	1.9
70.06593	7.3
71.04974	1.5
71.34079	0.4
71.44402	0.5
72.08130	1.9
73.02908	2.9
79.05513	2.5
81.03435	4.6
81.07048	2.6
83.01349	0.6
83.04987	4.3
83.08602	0.9
84.04478	0.6
84.08157	3.7
84.99916	0.5
85.02409	1.1
85.02910	18.9
85.06520	0.7
85.79329	0.5
86.09710	5.8
87.04459	3.3
87.23614	0.5
91.03971	1.1
91.05472	3.8
93.07056	6.9
95.04980	3.5
95.08583	3.0
96.08094	0.9
97.02909	7.3
97.06492	1.6
98.09670	0.8
99.04427	1.7
101.05991	0.6
103.05424	0.6
105.06359	0.8
105.07033	12.8
107.04924	1.0
107.08602	3.3
107.20202	0.5
107.20975	0.5
109.02869	2.1
109.06528	2.9
109.10139	0.9
110.07156	0.9
110.09666	1.6
111.08057	1.9
111.34786	0.5
114.09180	1.2
117.06976	1.4
119.08574	3.3
121.06509	17.9
121.10107	1.7
122.06847	0.6
123.04434	6.3
123.08051	2.3
123.11678	0.7
125.05961	1.1
125.09636	0.5
127.03886	3.3
128.10718	8.5
129.11052	1.5
130.08655	3.6
131.08588	1.3
133.10143	2.5
135.08061	3.7
135.11694	2.8
137.05968	1.5
137.09659	2.7
139.07555	2.5
140.32631	0.5
143.08501	0.5
145.04945	1.9
145.10107	1.8
147.08020	1.9
149.05923	1.0
149.09613	2.1
151.11195	1.3
153.09091	0.6
155.08211	0.7
157.10094	1.5
159.07979	0.6
159.11720	2.5
161.09642	2.7
163.07530	1.5
163.11162	4.5
164.11728	0.6
165.05365	0.6
172.08839	1.2
175.11139	3.4
177.12715	2.9
179.10716	3.0
187.11128	2.9
205.12225	7.2
206.12617	0.7
223.13293	100.0
224.13611	4.3
254.14990	0.8
367.07983	0.8
367.26703	1.5
368.27954	1.3
385.18494	43.9
385.27576	6.3
386.18509	2.5
386.24609	0.8
386.29529	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	385.1859
Annotation	Artesunate
Peak:m/z	Relative Intensity
53.03929	1.6
55.01860	1.5
55.05494	1.3
55.46107	0.4
57.03437	3.5
58.06600	0.8
59.05001	3.3
61.02922	4.0
64.37027	0.5
67.05505	3.0
69.03432	15.5
69.07054	1.9
70.06593	7.3
71.04974	1.5
71.34079	0.4
71.44402	0.5
72.08130	1.9
73.02908	2.9
79.05513	2.5
81.03435	4.6
81.07048	2.6
83.01349	0.6
83.04987	4.3
83.08602	0.9
84.04478	0.6
84.08157	3.7
84.99916	0.5
85.02409	1.1
85.02910	18.9
85.06520	0.7
85.79329	0.5
86.09710	5.8
87.04459	3.3
87.23614	0.5
91.03971	1.1
91.05472	3.8
93.07056	6.9
95.04980	3.5
95.08583	3.0
96.08094	0.9
97.02909	7.3
97.06492	1.6
98.09670	0.8
99.04427	1.7
101.05991	0.6
103.05424	0.6
105.06359	0.8
105.07033	12.8
107.04924	1.0
107.08602	3.3
107.20202	0.5
107.20975	0.5
109.02869	2.1
109.06528	2.9
109.10139	0.9
110.07156	0.9
110.09666	1.6
111.08057	1.9
111.34786	0.5
114.09180	1.2
117.06976	1.4
119.08574	3.3
121.06509	17.9
121.10107	1.7
122.06847	0.6
123.04434	6.3
123.08051	2.3
123.11678	0.7
125.05961	1.1
125.09636	0.5
127.03886	3.3
128.10718	8.5
129.11052	1.5
130.08655	3.6
131.08588	1.3
133.10143	2.5
135.08061	3.7
135.11694	2.8
137.05968	1.5
137.09659	2.7
139.07555	2.5
140.32631	0.5
143.08501	0.5
145.04945	1.9
145.10107	1.8
147.08020	1.9
149.05923	1.0
149.09613	2.1
151.11195	1.3
153.09091	0.6
155.08211	0.7
157.10094	1.5
159.07979	0.6
159.11720	2.5
161.09642	2.7
163.07530	1.5
163.11162	4.5
164.11728	0.6
165.05365	0.6
172.08839	1.2
175.11139	3.4
177.12715	2.9
179.10716	3.0
187.11128	2.9
205.12225	7.2
206.12617	0.7
223.13293	100.0
224.13611	4.3
254.14990	0.8
367.07983	0.8
367.26703	1.5
368.27954	1.3
385.18494	43.9
385.27576	6.3
386.18509	2.5
386.24609	0.8
386.29529	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01872	3.3
55.05507	2.4
55.43050	0.8
56.05025	1.0
57.03438	2.8
57.53411	1.0
59.26562	0.8
61.02933	4.8
64.91612	0.8
67.05507	4.4
69.03429	16.6
69.07079	2.3
69.77573	3.5
70.06593	15.2
71.04992	2.5
72.08157	7.4
73.02921	2.4
79.05500	6.2
81.03426	5.7
81.07059	5.2
83.01310	0.9
83.04983	4.3
84.08138	1.9
85.02909	40.5
86.09718	5.9
87.04484	3.9
91.03949	1.9
91.05480	11.3
93.07047	12.5
95.04968	6.3
95.08602	3.8
96.08200	2.0
97.02902	13.0
97.06547	3.1
98.09698	3.1
99.04461	3.1
103.03952	1.9
103.05453	1.3
105.04529	1.5
105.07030	15.7
107.04967	2.9
107.08578	7.4
109.02875	3.9
109.06515	6.2
109.10149	2.1
110.07169	1.2
110.09701	3.8
111.04438	1.2
111.08105	2.1
111.10028	1.8
113.05998	4.6
114.09194	4.3
115.03998	1.1
115.09477	1.1
116.07119	1.8
117.07023	5.1
119.04975	1.1
119.08577	13.7
120.08104	12.8
121.06506	13.1
121.10133	14.2
123.04362	1.0
123.08036	2.1
125.09637	25.8
127.03917	7.9
127.08654	1.3
128.10725	22.5
129.07021	3.6
129.11046	7.3
131.04884	1.5
131.08554	6.4
133.06474	2.3
133.10146	2.7
135.08086	5.7
135.11691	2.8
136.07567	2.4
137.09628	21.3
138.09985	1.0
139.07544	3.1
141.10251	1.0
142.12265	2.5
143.08546	1.7
144.09364	1.9
145.04985	7.5
145.06438	1.9
145.10124	6.7
147.08058	7.9
147.11687	2.7
149.05983	3.1
149.09621	100.0
150.09962	3.8
151.07541	1.5
151.11163	5.6
154.07759	1.0
157.10135	4.0
159.08136	1.8
159.11699	11.2
161.09666	3.2
163.07597	1.1
163.11168	6.7
165.05525	1.2
165.09123	15.2
167.07039	2.4
169.10091	2.3
172.08830	7.4
173.09404	1.0
175.11159	11.0
176.11595	1.3
177.08955	2.0
177.10437	5.4
177.12769	6.1
181.08588	1.7
181.12204	1.0
182.08148	2.2
186.48097	0.9
187.11185	30.6
189.12737	3.2
201.89740	0.9
203.05338	1.0
205.12254	43.7
206.12558	2.9
207.13829	3.3
223.13298	73.2
224.06842	2.3
224.13756	4.6
341.48874	1.0
368.24173	2.2
384.69446	1.7
385.13959	4.4
385.19196	6.8
385.27405	3.4
386.18420	1.3
386.19849	1.6
386.25317	27.3
386.29977	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	17.1
55.05514	37.8
55.96896	5.4
57.03433	19.6
67.05508	55.4
69.03440	10.5
69.07067	35.1
69.59116	17.2
69.59491	11.2
70.06586	9.3
71.04990	12.1
72.08147	15.3
78.94713	5.6
79.05489	51.8
81.03409	13.6
81.07056	74.0
83.04979	19.8
83.08627	27.8
83.37926	5.4
83.38427	5.1
85.06523	8.6
91.05470	43.4
92.05806	6.1
93.07066	53.8
95.04966	12.1
95.08605	42.3
97.06516	30.7
97.10165	27.3
98.09700	23.0
98.23486	6.6
98.60822	4.9
99.08110	8.9
105.07041	34.2
107.04934	8.8
107.08590	78.7
109.06509	17.5
109.10155	19.4
111.08063	10.7
113.05994	9.7
117.07039	18.9
119.08579	27.9
120.16386	5.3
121.06489	8.5
121.10114	26.3
123.08105	9.8
123.11682	5.7
125.09648	34.2
129.07042	5.0
129.21936	4.9
131.08583	24.4
133.10124	26.5
135.08066	5.2
135.11679	15.0
142.12312	6.0
145.10120	21.5
147.11696	11.6
149.02274	7.8
149.09682	9.2
149.13248	9.5
151.07532	34.5
153.12740	9.4
156.13756	7.1
159.11702	16.7
163.11131	9.7
165.24867	6.1
173.13249	8.0
177.12759	6.1
188.08327	10.6
189.11240	22.8
201.09259	5.6
203.10587	7.3
219.10081	9.5
223.13345	9.4
247.09673	13.8
257.19070	11.0
269.17529	19.9
275.20078	100.0
276.20425	8.7
293.21082	72.1
344.20877	8.6
349.23679	9.2
367.24768	24.2
367.29672	28.0
368.31464	9.0
385.25409	19.3
385.31281	74.2
386.32587	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
54.50882	1.4
55.01870	8.3
55.05513	20.9
57.03446	8.1
57.07066	1.7
58.35355	1.5
65.03935	2.9
67.05505	41.2
69.03448	1.6
69.07064	23.1
69.60418	3.8
71.04984	1.8
79.05492	37.1
81.03407	4.3
81.07057	100.0
83.04980	7.1
83.08627	13.7
85.06543	4.4
91.05477	30.9
93.07047	30.5
95.04964	14.0
95.08601	26.9
97.06521	11.7
97.10177	2.0
99.08089	6.1
105.07029	30.9
106.07320	1.4
107.04976	10.9
107.08603	19.8
109.06512	32.4
109.10140	7.1
111.08057	6.8
115.91927	1.4
117.07020	9.5
119.08567	25.5
120.08884	1.8
121.06513	6.7
121.10133	18.7
123.08078	10.5
123.11703	7.0
129.07008	4.5
131.08577	16.0
133.06526	1.7
133.10124	18.5
135.08043	5.3
135.11685	7.7
137.09660	4.3
143.08539	3.0
145.06458	1.5
145.10118	14.0
147.11688	24.5
149.02339	6.0
149.09622	8.0
149.13268	9.8
150.61526	1.5
151.07513	1.5
151.11224	4.3
155.08589	3.0
157.10097	3.6
159.11690	9.6
161.09607	2.5
161.13257	3.8
163.11201	10.2
163.14828	4.1
165.12770	8.1
169.10133	2.1
171.11711	3.2
173.09608	4.6
173.13264	5.9
175.11195	4.5
177.12752	3.1
179.14313	2.8
183.11568	1.9
187.11134	3.8
189.12762	2.6
191.14326	2.3
193.04968	4.8
193.12288	3.1
195.13884	1.8
197.13258	3.1
201.12703	1.4
207.13756	2.4
219.13892	1.7
229.19589	4.3
239.17946	4.1
247.20560	7.8
257.19116	8.9
275.20065	77.3
276.20358	5.9
284.17245	6.2
293.21094	11.9
340.23462	4.3
349.19379	2.5
349.23712	38.9
350.24295	3.1
367.24811	37.3
368.25073	1.8
385.09109	6.4
385.23950	3.5
385.28772	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01870	9.5
55.05511	18.6
57.03428	6.3
57.07069	1.7
65.03944	3.7
66.61781	1.2
67.05162	2.1
67.05508	39.0
69.07070	25.3
69.33999	6.5
71.04993	2.7
79.05499	34.9
80.05826	1.5
81.03422	3.8
81.07059	100.0
82.07388	2.6
83.04993	9.2
83.08617	14.8
85.06543	4.0
91.05481	32.4
93.07049	31.9
95.04985	14.2
95.08603	29.2
97.06529	11.5
97.10153	2.2
99.08076	3.6
105.07027	31.2
107.04964	9.0
107.08589	23.8
109.06524	35.5
109.10175	10.5
111.08064	6.1
117.07030	8.0
119.08575	23.9
120.08862	1.5
121.06501	6.6
121.10156	17.0
123.08096	11.1
123.11714	8.8
125.09589	3.1
129.07013	3.0
131.08572	12.9
133.06537	1.7
133.10132	18.7
134.10464	1.9
135.08067	6.0
135.11684	8.8
137.09601	5.3
141.06982	1.6
143.08560	2.6
145.06441	1.5
145.10132	11.6
147.08086	2.3
147.11696	18.9
148.11987	1.9
149.02354	5.8
149.09630	8.5
149.13278	8.7
151.11232	3.5
157.10091	3.7
159.11700	10.4
161.09714	2.1
161.13257	4.7
163.11162	10.9
163.14748	2.8
165.12790	7.9
169.10075	1.9
171.11635	2.8
173.09575	1.9
173.13271	4.7
173.14592	1.5
175.11160	5.0
177.12755	5.0
179.14261	2.1
183.11681	1.7
187.11169	1.7
193.04938	6.8
193.12204	2.8
195.13823	1.8
197.13434	1.7
201.12889	2.6
205.12204	1.3
219.13799	1.8
221.15691	1.5
229.14355	1.6
229.19456	2.9
239.18051	1.7
247.20561	7.8
247.65230	1.5
257.19025	9.4
263.32468	1.8
275.20071	75.0
276.20459	4.9
283.17078	1.9
284.17215	5.3
293.21109	11.0
338.25409	1.7
340.23547	6.2
349.23749	34.2
350.24130	4.4
351.86893	1.4
367.24811	37.1
368.25140	3.7
385.09003	5.1
385.28842	35.9
386.29654	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52592	2.8
55.01873	4.6
55.05507	14.8
55.29446	2.6
57.07069	4.4
61.31905	2.4
61.39577	3.0
65.03925	2.7
67.05499	24.1
69.03428	6.3
69.07069	12.4
71.05015	4.4
71.08627	15.3
78.27830	2.7
79.05486	20.0
81.07058	30.3
83.04963	7.7
83.08610	5.0
85.06557	4.3
91.05490	19.4
93.07043	28.8
95.04971	15.9
95.08601	23.0
96.05756	3.7
97.02882	11.7
97.06506	10.9
97.10145	2.9
99.08083	7.8
105.07051	14.1
107.08576	9.4
109.06519	19.2
109.10133	11.4
111.04440	17.0
113.05989	8.0
117.02433	2.8
119.08559	10.4
121.06480	13.8
121.10132	17.0
123.04434	9.4
123.08047	8.6
123.11600	2.8
124.05219	5.0
125.05963	2.9
128.25380	2.8
129.07066	3.4
131.08540	15.3
133.10115	7.0
135.08043	5.5
137.09618	6.7
139.11121	4.6
143.08540	3.0
145.10075	6.4
147.08046	3.2
147.11671	5.4
149.09607	15.3
151.07487	4.3
151.11096	3.3
159.11586	3.0
161.13261	4.8
163.11188	6.0
165.12720	19.2
167.10663	7.7
173.13177	3.6
175.14818	2.7
179.14317	3.1
181.12231	100.0
182.12587	6.0
189.12756	4.0
191.14287	5.0
193.12259	2.6
207.13799	4.1
229.14336	3.5
231.20454	2.6
251.16315	3.5
261.22009	3.3
279.15878	3.4
289.21570	13.5
293.21164	7.4
296.88376	2.6
305.21088	22.0
306.22009	3.7
351.25278	80.4
352.25604	7.0
385.19995	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	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97254	1.9
55.01863	4.6
55.05518	3.5
55.51820	2.3
57.03439	22.8
59.04993	4.3
60.04508	2.2
61.02929	3.3
67.05511	4.7
69.03067	4.7
69.03432	80.1
69.07074	2.6
70.06594	54.1
71.04978	3.7
71.06903	5.4
72.07839	2.7
72.08163	27.5
73.02908	4.7
73.08510	2.7
75.04472	2.8
79.05495	6.5
81.03427	5.5
83.04975	2.6
84.04533	3.5
84.08141	14.0
85.02907	93.8
86.09708	35.8
87.04469	50.8
87.44831	2.1
91.03959	4.1
91.05473	3.1
93.07036	3.6
94.06600	2.3
95.04969	14.2
96.08140	21.4
97.02895	63.2
97.06492	2.3
99.04465	5.9
109.02887	6.0
110.03601	2.8
110.07175	2.9
114.09168	80.8
115.03931	74.8
116.07066	11.7
119.08590	2.6
120.08097	2.9
123.08006	2.6
127.03909	17.0
128.10707	2.8
129.10229	7.4
133.04971	100.0
136.07559	3.7
143.11803	2.7
145.04953	40.4
150.07600	8.2
151.07558	2.2
153.09079	3.4
163.06021	20.8
166.31541	2.2
175.10764	3.7
185.16513	3.1
207.06470	3.7
213.15958	2.5
225.07280	19.1
225.14851	3.8
229.15532	3.2
237.13358	3.2
241.07228	2.7
249.75336	2.7
254.14964	3.7
259.08289	5.7
277.09250	2.6
295.10178	2.8
368.24249	7.8
386.15460	13.8
386.25400	29.8
387.16364	46.5
387.27103	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	386.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.9
67.05504	40.8
69.07070	25.5
74.80789	11.0
79.05488	77.6
81.07043	50.9
82.09757	10.1
83.08575	17.3
85.06548	10.1
91.05476	84.0
93.07059	83.9
95.04918	14.1
95.08609	37.8
98.23444	21.4
105.04533	13.1
105.07044	64.4
107.08611	44.6
109.06502	10.1
109.10145	19.8
111.08053	9.8
117.06987	21.7
119.08587	56.6
121.10146	33.7
129.06987	15.4
131.08572	22.1
133.10139	51.5
135.11720	36.5
139.07639	9.8
145.10133	28.0
147.11665	52.0
149.13286	23.8
151.07584	17.8
159.11691	23.4
161.13268	49.5
165.09082	11.1
171.11679	20.9
173.13385	10.6
175.14784	14.0
185.13206	21.2
241.19530	28.1
259.20575	100.0
260.21069	15.5
304.00256	10.8
351.25238	44.9
386.31134	8.9
405.89429	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	386.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
56.05042	2.8
57.03436	0.8
58.06606	2.2
67.05503	3.9
68.05044	2.3
69.03439	0.8
69.07051	2.2
69.08038	2.1
69.08434	1.0
70.06588	5.9
71.04986	1.5
72.08164	3.1
74.06102	0.6
79.05498	3.4
80.05808	0.4
81.03401	0.7
81.07055	6.2
82.06582	9.1
83.04994	0.8
83.06152	0.4
83.08610	0.8
84.08147	3.8
84.97202	0.5
85.02898	1.9
86.09710	2.6
87.04462	0.6
88.07639	2.8
89.06050	0.8
91.05467	2.3
93.07039	4.5
94.06564	1.2
95.04961	1.2
95.07343	3.9
95.08056	0.6
95.08592	4.1
96.08133	1.6
97.06522	2.0
98.09713	0.6
99.08102	0.7
103.05513	0.5
105.07030	3.7
107.08586	1.4
108.08124	12.8
109.06526	0.9
110.09682	75.4
111.08051	0.8
111.10015	2.5
114.09153	0.6
116.07146	0.6
119.08584	1.4
121.06492	0.9
121.10084	0.7
123.08089	1.0
128.10713	12.3
130.08649	2.4
131.08557	0.9
133.06512	0.5
133.10088	0.6
137.06100	0.5
145.04907	0.5
145.10135	1.0
147.04402	0.9
147.11693	0.7
149.09642	0.8
151.07571	0.8
159.11664	0.5
161.09694	0.8
163.11243	0.9
170.11761	100.0
171.12073	4.7
189.12721	1.3
207.13863	2.3
207.82767	0.5
210.27782	0.5
224.13248	0.4
225.14998	1.3
256.17261	0.5
263.07941	0.5
274.97491	0.5
298.72321	0.6
308.25940	0.8
326.26892	5.0
343.32593	0.4
350.27011	1.4
368.23947	1.0
368.28128	4.0
386.18661	15.5
386.29041	86.0
387.14966	0.9
387.19553	2.4
387.29608	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	387.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67028	1.6
55.01877	2.5
55.05511	4.5
57.03427	2.0
58.06602	2.7
65.03939	3.4
67.05498	3.6
69.03464	2.3
69.07059	5.8
70.06593	24.1
71.04989	2.1
72.08163	21.7
74.46728	1.7
79.05482	7.5
80.05055	1.6
81.03423	2.2
81.07063	7.5
84.04507	11.9
84.08156	5.2
85.02913	13.3
86.09710	70.1
91.05481	25.6
92.05846	1.7
93.07033	3.8
95.04954	3.7
95.08617	4.0
96.08130	3.5
97.02916	2.7
98.09678	3.6
105.07019	8.3
106.07376	2.0
107.04951	3.0
107.08598	3.9
109.06635	1.8
109.10188	2.6
110.09692	2.5
112.08745	2.8
114.09181	6.0
116.07067	3.2
117.07066	2.7
119.04948	25.5
119.08595	5.5
121.10140	1.8
123.08082	4.0
123.11706	7.1
128.10724	10.0
129.10251	2.0
132.02231	1.6
135.08084	2.0
142.12280	3.9
144.06573	16.3
145.06444	3.1
147.04410	24.7
147.11676	5.6
149.02330	2.5
149.09628	4.3
151.07564	1.6
157.03931	4.1
157.13399	6.1
161.09224	21.6
161.10451	2.0
164.04703	3.5
166.68930	1.4
175.03911	44.9
175.11975	2.1
176.04301	2.3
179.07079	2.6
185.12888	5.2
185.16504	2.8
189.12642	4.0
192.04181	11.4
194.05902	1.6
199.18062	4.5
203.12256	1.6
203.13943	8.4
207.06525	100.0
207.13803	13.6
208.06902	5.8
213.16084	2.5
217.11812	1.9
224.06783	3.4
225.07523	26.4
225.10971	2.6
225.14781	3.0
254.21155	3.1
272.22137	2.8
274.17624	2.9
369.24240	2.0
370.25626	3.5
386.25238	16.9
386.29285	2.3
387.16379	30.2
387.25214	31.1
388.22296	2.1
388.26816	7.6
396.11087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1288
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
55.01871	2.8
55.05505	2.6
55.35734	1.9
56.05011	2.5
60.05655	2.0
67.05505	6.0
69.03430	4.1
69.07056	7.9
70.06590	21.3
70.19527	4.4
71.04977	2.7
72.08154	21.2
76.75546	2.3
79.05479	7.8
81.03409	2.6
81.07056	10.4
81.67591	1.9
84.04501	8.5
84.08125	6.2
85.02905	22.8
86.09708	69.7
89.03923	2.2
91.05489	28.0
93.07050	2.6
94.34064	1.8
95.04982	4.3
95.08614	3.7
96.08109	4.2
97.06550	2.6
98.09683	6.9
105.06413	1.9
105.07026	10.7
107.04922	3.6
107.08571	3.8
109.06524	2.2
114.09158	5.4
116.07083	3.3
118.04142	2.5
119.04952	33.9
119.08569	5.3
120.08116	3.2
121.06524	4.1
121.10113	5.8
123.08086	3.5
123.11689	20.2
128.10715	8.7
128.53690	2.8
131.08542	2.5
132.02068	1.8
133.06502	1.9
137.09641	2.4
141.22826	2.3
142.12325	4.2
144.06599	13.9
145.10097	3.1
147.04398	23.4
147.08006	3.3
147.11739	5.2
149.02301	2.3
149.09627	4.9
151.07491	2.2
157.13342	8.1
161.09232	12.1
163.03954	2.6
163.11226	4.3
175.03917	39.8
175.11914	3.1
179.06973	3.1
185.12880	6.2
185.16599	3.9
189.12712	6.0
192.04112	11.8
199.18037	3.0
203.13901	9.1
207.06525	100.0
207.13835	21.3
208.06813	5.7
222.18509	2.8
224.06763	5.1
225.07515	28.2
225.11060	3.3
240.19603	3.9
254.21140	3.0
274.17679	2.9
352.24863	2.1
369.23999	3.2
370.25714	3.3
386.24805	10.9
387.16345	37.2
387.25134	29.4
388.16779	2.7
388.26691	8.7
412.61551	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	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
54.77801	0.1
55.01864	0.1
63.02369	0.1
65.03921	0.3
66.04725	0.1
67.05504	0.1
69.45570	0.2
70.26176	0.1
72.08162	0.1
75.04471	0.1
77.03919	0.2
78.04719	0.4
79.05495	0.6
80.06267	0.7
81.99605	0.1
86.41216	0.1
89.03874	0.1
90.04700	0.6
91.05472	3.0
92.06261	0.1
93.03388	0.1
93.07046	0.2
94.04202	0.1
95.04966	0.3
103.05460	0.2
105.03383	0.3
105.04512	0.1
105.07034	0.2
106.04175	0.7
107.04946	5.8
108.05740	3.0
108.90186	0.1
109.06564	0.3
115.05425	0.4
116.06238	0.1
117.07015	0.8
118.04131	0.4
119.04925	0.2
119.06024	0.1
119.08601	0.1
121.02874	0.1
121.06498	4.0
122.06821	0.1
123.08099	0.1
129.06947	0.1
129.90553	0.1
130.04086	0.2
131.04919	0.6
132.05664	0.2
133.06490	0.3
134.07262	0.2
135.04399	1.8
135.08063	0.1
136.05199	2.4
137.05939	0.2
138.06714	0.1
139.07532	0.2
139.45833	0.1
144.05652	0.1
145.06468	1.3
146.07262	3.8
147.04405	0.2
147.08057	0.9
148.05171	0.1
149.05971	2.8
149.07181	0.1
149.09645	0.2
150.06729	0.3
151.07529	100.0
152.07869	3.5
157.06468	0.2
158.07260	0.2
159.08034	0.3
160.05186	0.1
160.08871	0.1
161.06010	0.3
162.06746	1.3
163.07538	1.3
165.05431	1.1
165.09085	1.2
171.08064	0.2
172.05499	0.1
172.08829	0.5
173.05959	0.2
174.06688	0.2
175.07515	0.3
176.08228	0.1
177.09096	10.4
178.09424	0.4
179.07011	2.2
188.08315	0.6
189.09099	0.8
191.07011	2.2
192.07651	0.1
193.08580	0.4
200.08275	0.1
201.09123	0.4
203.10626	0.8
205.08580	0.4
213.09084	0.1
215.08694	0.1
215.10616	0.7
217.08545	0.2
231.08052	0.1
231.10156	0.5
233.09677	0.1
244.08759	0.1
245.09532	0.7
246.10159	0.2
247.11145	0.1
248.11809	0.1
249.11182	0.2
258.10443	0.2
259.11172	0.1
261.09085	0.4
262.09799	0.2
263.10495	0.4
273.09103	0.3
274.09814	0.3
275.10559	0.3
276.11505	0.2
277.09100	0.1
277.12109	0.3
278.12970	1.3
278.15787	0.1
288.11441	1.6
289.08551	0.3
289.12119	0.8
290.09271	0.1
291.10178	0.1
293.11664	0.1
294.12439	0.2
303.10052	0.1
304.10931	0.7
305.08292	0.1
305.11694	1.1
306.12198	0.2
307.13098	0.1
309.14819	2.5
310.15106	0.2
318.12427	0.1
319.13245	6.5
320.13889	1.4
321.11105	0.2
335.12759	0.1
336.13525	0.3
337.14325	2.2
338.14517	0.2
351.15872	3.5
352.16147	0.3
369.16934	3.6
370.17297	0.3
387.17902	1.1
391.97025	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	387.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56520	1.7
63.54504	1.6
70.06584	6.0
70.48778	3.7
72.36987	1.7
85.05820	1.7
127.94928	1.9
140.56584	1.7
196.04842	19.3
210.15123	2.1
212.85268	8.4
213.07489	100.0
214.07710	2.7
231.07446	2.3
253.02942	5.4
272.17160	3.1
349.37155	1.9
387.08917	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	387.2014
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
50.46481	3.8
60.42765	4.0
61.02926	5.6
67.05495	24.0
69.03429	5.1
70.06591	5.3
71.46353	4.5
72.08163	15.3
79.05483	5.3
81.07058	6.7
84.08150	4.4
85.02879	6.4
85.06551	12.8
86.09716	13.1
89.06046	6.0
91.05492	6.3
93.07043	9.7
95.08598	100.0
105.07018	6.1
107.08621	9.4
113.05989	13.7
119.08578	17.5
121.10165	6.1
123.08092	34.0
128.10690	9.8
131.08566	5.0
133.08553	5.2
135.11714	16.5
142.01608	4.7
147.11678	8.2
148.32458	4.5
149.09610	30.7
161.13312	14.1
163.11176	8.0
165.12775	12.7
177.00775	4.5
189.12761	18.0
207.13802	61.9
352.28174	4.3
353.40616	4.8
369.28534	7.7
386.28915	15.1
387.16043	4.8
387.24927	7.8
387.29285	18.2
388.21124	15.3
388.26358	5.4
388.30881	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.01725	2.8
51.07987	2.9
51.41307	2.8
55.05513	3.8
59.05003	15.6
67.05530	4.0
69.03445	7.5
69.07061	8.8
69.13743	18.5
77.75407	3.3
79.05489	8.9
81.07058	9.2
83.04967	4.6
85.02908	11.6
87.04482	4.9
91.05497	10.3
93.07058	27.5
95.04960	5.3
95.08623	12.6
98.23540	7.6
101.06029	5.2
105.07031	24.5
107.08595	49.2
109.06532	3.9
119.08601	14.5
121.10164	8.7
123.08096	10.0
131.08582	3.1
133.10127	7.3
139.11215	5.5
147.11705	11.6
149.09683	5.3
151.11191	89.9
159.11659	3.1
161.13217	15.9
171.11734	6.4
177.12808	5.0
181.19757	3.5
189.12685	15.9
203.95412	3.0
207.13808	100.0
208.14146	5.5
225.14845	92.2
232.32536	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01858	1.9
55.05512	3.9
57.07065	1.8
57.38802	1.6
61.02935	2.2
67.05506	9.6
69.03429	57.1
69.07059	7.7
69.81219	3.9
70.06589	12.5
71.04967	1.6
72.08144	7.5
79.05483	9.3
81.03409	5.3
81.07056	14.1
83.04973	5.1
83.08603	3.3
84.08133	5.5
85.02905	11.9
86.09705	14.7
91.05470	8.0
93.07049	10.6
95.04964	9.2
95.08614	12.1
97.02905	5.5
97.06521	5.3
105.07034	23.8
107.08589	8.0
109.02959	2.3
109.06531	14.0
109.10155	5.7
110.07276	2.5
111.08103	8.8
117.06936	2.7
119.08570	17.6
121.10165	14.8
123.04419	9.7
123.08063	7.8
125.09634	2.1
127.03896	2.5
127.11131	1.9
128.10741	2.9
131.08630	2.4
133.06538	8.9
133.10130	44.2
135.08052	2.8
135.11684	3.8
137.06003	4.5
137.09605	29.9
139.11177	35.8
145.04927	2.6
145.10132	4.7
147.07994	5.6
147.11697	24.2
149.09590	4.4
151.07553	4.9
151.11189	7.6
156.09392	5.4
157.13416	3.8
159.11668	4.3
161.09677	1.9
161.13295	11.8
163.11171	8.0
165.12793	1.9
171.10387	1.9
171.11606	9.4
174.10397	7.2
177.12782	3.7
179.14258	2.5
185.12816	3.0
189.12738	39.1
203.13913	3.0
207.13797	100.0
208.14182	5.0
225.14850	64.0
256.16428	1.8
261.63562	2.0
338.19379	2.6
338.69745	2.0
355.22269	1.8
369.28268	4.3
387.19531	12.5
387.29190	3.2
388.27359	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	387.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30884	0.7
53.03954	0.9
53.45984	0.5
55.01880	3.4
55.05502	1.8
57.03436	1.6
60.04528	0.7
60.05660	2.7
61.02935	2.5
65.03954	0.7
67.05500	2.7
67.91930	0.5
69.03435	6.8
69.07063	1.5
69.69106	1.7
70.06592	29.3
71.04997	3.6
72.08153	9.9
73.02905	1.1
74.49384	0.4
78.19313	0.5
79.05495	6.6
81.03414	4.1
81.07058	3.8
83.04994	1.2
84.04505	0.8
84.08141	6.3
85.02905	12.6
86.09710	13.1
86.90273	0.5
87.04466	1.8
88.07634	1.1
91.03963	0.8
91.05489	3.7
91.76698	0.5
93.07051	3.7
95.04969	100.0
95.08607	2.3
96.05286	1.6
96.08186	0.8
97.02898	5.7
97.06529	1.3
98.06064	0.8
98.22797	0.7
98.97137	0.5
99.04449	2.9
101.06049	0.7
105.07037	4.8
107.08588	6.4
109.02888	1.0
109.06524	12.2
109.10147	3.7
112.08731	5.1
113.06022	1.0
114.09200	2.8
115.03940	12.5
115.05420	1.1
115.07582	1.3
115.08692	1.9
115.09462	0.6
116.07080	2.1
117.07036	5.2
119.08588	2.1
121.10142	2.4
123.08054	1.3
127.03922	2.0
129.10211	3.7
131.08553	2.4
133.10110	4.3
135.08057	8.8
135.11707	1.2
140.08171	0.8
141.10239	1.0
142.12306	0.5
144.10216	2.1
145.04951	2.3
145.10048	0.7
147.11671	1.5
149.09586	1.0
151.07498	3.4
151.11192	0.7
153.09093	7.9
155.08231	0.9
157.10847	0.7
158.09274	0.9
158.10905	0.7
159.11743	0.8
161.12910	2.7
163.03909	0.6
163.14868	1.0
165.12759	2.8
169.08609	24.9
169.13414	0.9
170.08928	1.2
171.11696	1.5
173.09196	0.9
173.13292	2.6
175.11926	2.7
183.14949	0.8
185.16582	0.8
187.10806	1.1
189.12653	2.9
191.14276	3.4
207.13823	4.2
209.15372	23.4
210.15845	1.0
211.15588	1.1
215.14111	0.6
217.11880	0.9
225.14870	47.2
225.16982	2.4
226.15160	2.4
226.93890	0.6
231.16946	0.8
239.15097	0.6
271.17535	1.0
274.18655	1.7
274.21307	0.7
288.20251	1.1
336.02557	0.5
336.90622	0.6
370.24551	1.1
387.16165	12.1
387.27066	24.2
388.15826	0.7
388.27097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2715
Annotation	Arg Ile Val
Peak:m/z	Relative Intensity
50.19375	0.4
50.77098	0.3
55.01854	0.5
55.05515	1.9
56.05033	0.5
56.27725	0.4
58.06608	0.4
60.04539	0.4
60.05651	9.6
64.18766	0.4
67.05515	0.6
68.05038	0.8
69.03441	1.0
69.07074	0.5
70.06592	86.2
70.76159	0.4
70.76491	0.5
71.04992	5.5
71.06920	1.5
72.08155	16.5
74.06095	0.4
77.23145	0.3
84.08141	2.7
85.02907	0.7
85.07680	0.9
86.09706	16.2
88.07644	3.0
95.04964	4.7
95.06111	1.1
97.07658	1.3
97.97575	0.4
98.06040	1.8
104.53711	0.4
107.08514	0.4
110.07146	0.5
112.08725	20.6
113.07150	1.1
114.09137	0.7
115.03915	0.7
115.08693	4.4
115.09421	0.6
116.07081	2.0
117.10275	0.6
129.10271	1.8
130.09746	0.5
135.08113	0.5
138.06699	0.5
138.12759	1.1
140.08182	3.8
142.09763	1.5
157.09634	0.5
157.10857	5.3
158.09259	2.0
166.12303	0.5
168.13814	0.6
169.08574	1.5
169.13382	0.7
175.11911	7.9
180.10281	0.5
182.16600	0.8
183.14923	5.7
184.15150	0.5
185.10422	0.6
185.16420	0.5
187.10867	0.4
194.12833	0.5
197.12822	0.8
204.14046	0.5
207.13797	0.7
208.14433	1.1
209.15424	1.2
210.15987	2.5
211.15742	1.0
215.13913	0.5
215.58284	0.4
220.56462	0.3
225.01512	0.5
225.14865	3.0
225.17117	13.4
226.17409	0.7
228.17085	0.9
229.15520	1.2
231.17043	1.3
239.14937	2.2
242.19711	1.4
253.16695	0.7
254.14883	0.5
256.17725	1.6
257.16086	0.9
270.19257	1.7
271.17627	6.4
274.18716	8.3
288.20325	8.3
289.20471	0.5
370.24527	4.9
387.16510	11.7
387.27127	100.0
388.22110	1.1
388.27536	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	387.2717
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
50.42799	0.4
55.05521	1.4
60.05649	11.8
66.86089	0.4
68.05037	0.7
69.05812	0.5
69.07064	1.0
69.35364	0.5
69.96715	1.6
70.06593	94.2
71.04996	6.2
71.06940	0.6
72.08156	17.3
75.61092	0.4
84.08159	3.2
84.34252	0.4
85.02923	0.8
85.07689	0.6
86.09720	8.1
88.04021	0.7
88.07639	3.2
95.06082	0.4
97.07691	0.7
98.06040	2.6
105.07011	0.8
112.08729	21.7
113.07140	0.7
114.09141	0.7
115.08683	4.6
116.07105	2.6
124.11256	1.1
129.10260	1.6
132.10251	1.1
138.50600	0.4
140.08211	5.2
151.12321	0.6
152.10735	0.8
157.10846	6.9
158.09195	1.0
163.11209	0.6
168.14937	2.2
169.13365	7.3
173.52875	0.5
175.11890	4.7
183.14883	0.9
187.10793	0.9
189.12790	0.5
194.12921	1.8
196.14433	2.4
197.12894	1.2
207.13846	2.5
211.15567	16.3
212.15948	0.6
225.15117	0.6
225.17165	1.7
228.18225	2.4
229.15558	0.7
231.17053	0.6
239.15027	1.1
242.19881	0.6
253.16638	0.5
256.17618	3.0
257.16089	5.2
270.19595	0.6
271.17612	0.6
274.18738	10.1
288.20248	2.2
308.16800	0.5
326.45941	0.6
370.24448	4.1
372.24683	0.5
387.16660	6.8
387.27130	100.0
388.22211	1.5
388.27377	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	387.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60910	0.4
52.59187	0.4
53.11921	0.4
55.05510	3.8
56.05024	2.6
57.03437	0.8
58.89877	0.4
59.04998	0.8
61.02911	0.7
65.03925	0.4
67.05511	2.2
69.03442	2.7
69.07052	1.8
70.06592	5.0
70.79051	0.6
71.04984	1.0
72.08157	37.4
73.08479	0.8
79.05476	2.0
81.03426	0.8
81.07062	3.2
82.06565	0.9
83.04983	0.9
84.04496	0.8
84.08146	100.0
85.02907	4.3
85.06549	1.4
85.08475	1.8
86.06071	0.5
86.09708	32.6
87.10049	0.9
91.05482	3.2
93.07054	2.9
94.06561	0.6
95.04980	1.4
95.08616	3.1
96.08134	1.8
97.02888	1.3
97.06529	1.4
98.09712	0.9
99.04459	0.7
99.08080	0.6
100.62759	0.4
101.10785	4.2
102.09188	0.8
104.07167	0.4
105.07038	4.1
107.04965	0.5
107.07937	0.5
107.08604	5.9
109.02894	0.4
109.06519	2.4
109.10180	1.1
111.08088	0.5
111.09219	1.6
112.07614	0.5
112.08730	0.8
114.05485	0.8
114.09164	1.1
115.08646	0.5
117.07000	1.0
119.04962	1.7
119.08586	3.2
120.08132	0.5
121.06525	0.5
121.10150	2.4
123.08083	2.4
127.03931	1.4
128.10732	0.9
129.10245	71.1
130.10599	1.3
131.08589	1.7
132.10237	1.6
133.06529	0.8
133.10123	8.5
135.08075	1.3
135.11690	1.2
136.07602	0.7
137.07971	0.6
137.09633	5.6
142.12267	0.8
143.08646	0.5
143.11855	1.3
144.06592	1.2
145.04965	1.0
145.10146	1.1
146.11758	6.3
147.04434	1.2
147.08066	1.0
147.11673	2.7
149.09628	1.8
149.13287	1.3
151.07570	0.9
151.11182	1.1
152.14378	2.2
156.10286	0.7
157.09769	1.5
157.13416	1.3
159.11661	0.5
161.09358	1.3
161.13301	0.8
163.11220	1.3
165.12788	1.1
171.11584	1.2
171.14969	2.3
173.13322	1.8
175.03926	2.0
175.11996	1.0
177.12738	0.5
181.12321	1.3
181.16997	0.6
185.09218	2.1
185.12944	1.6
189.12686	3.0
190.13080	0.7
191.14294	2.8
197.16496	5.9
199.14546	1.5
199.18170	0.5
201.07373	0.4
203.13963	1.6
207.06584	3.5
207.13751	2.9
211.14420	0.7
214.19159	0.6
224.17552	3.4
225.14688	7.0
226.15216	0.4
227.17609	0.5
231.17130	1.4
242.18633	9.4
242.20877	0.6
256.16589	3.2
259.20157	5.3
284.16321	0.9
288.19766	0.4
352.25055	0.7
369.28528	0.8
370.26160	2.4
387.08987	0.9
387.15683	1.2
387.19949	2.4
387.29871	26.9
388.22391	0.6
388.26559	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	388.212
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
53.87708	0.7
68.04982	1.1
69.03424	3.9
70.32828	0.9
70.33152	1.1
79.05482	1.5
80.05016	1.0
80.81716	0.8
84.08135	1.1
89.06049	0.9
91.05494	1.1
91.53345	0.9
93.07041	0.9
95.04984	1.3
96.08108	4.2
99.04420	0.9
105.07014	1.2
106.06573	1.3
107.08605	1.0
118.06472	0.9
120.08111	3.2
136.11214	2.5
137.05997	1.2
138.12782	8.3
147.06750	1.6
148.07585	2.5
155.03415	2.8
162.09158	1.4
162.12743	5.4
164.14413	1.3
165.05551	1.3
174.12769	1.1
176.14368	2.9
183.06552	1.5
186.12746	1.0
188.14296	1.1
190.12210	1.1
195.06575	0.8
204.13834	43.7
205.14314	1.9
214.16086	0.8
216.17574	0.8
218.11725	1.0
218.15540	0.9
232.16792	1.7
260.16467	6.8
273.11292	1.5
275.12750	4.6
370.19778	1.0
382.25949	0.8
388.21201	100.0
388.25690	10.7
389.21539	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	388.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
55.05500	1.3
56.05030	1.7
57.03428	0.6
57.87239	0.4
58.06595	0.6
62.20673	0.4
67.05492	1.3
69.03403	0.6
69.07066	1.5
69.49986	0.9
69.50353	1.7
70.06590	7.9
71.04984	0.6
72.08154	2.2
77.42573	0.4
79.05497	1.1
81.07049	2.9
82.06532	0.6
84.04500	20.6
84.08145	2.6
85.02897	0.5
85.06520	0.6
86.09702	100.0
87.10035	3.1
88.96681	0.4
91.05479	1.4
93.07031	1.3
95.04976	1.4
95.08611	1.4
96.04503	1.1
96.08124	0.6
98.09704	1.3
101.88570	0.5
102.05532	12.8
105.07058	0.9
106.91016	0.4
107.08609	1.7
108.08145	0.6
109.06477	0.8
109.10159	1.0
111.08108	0.6
111.30846	0.4
113.07110	1.6
118.97475	0.4
119.08569	0.9
119.75013	0.5
121.10164	1.2
123.04475	0.6
128.10652	1.2
129.06578	3.2
129.10277	0.8
131.08572	0.8
133.10135	0.7
141.06590	2.9
141.12808	0.6
143.11752	0.8
145.10167	0.6
146.11752	51.5
147.12018	1.6
149.13300	0.7
151.11186	0.5
152.10684	1.5
155.08073	0.8
170.11743	3.9
171.11217	0.5
173.13232	1.2
179.14273	0.7
191.14346	1.6
197.12836	14.2
197.14613	1.0
198.13118	0.5
202.12396	0.4
204.13844	2.4
208.14127	0.6
209.15401	3.2
215.13901	26.8
216.14270	1.0
218.15579	0.8
225.12315	5.1
243.13383	10.6
259.20184	1.8
260.16415	0.5
328.22787	1.0
338.20520	0.9
370.25638	1.3
370.29620	1.0
385.51794	0.4
388.20398	2.3
388.25891	1.5
388.31372	2.5
389.15805	0.5
389.21313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81945	0.3
52.81170	0.3
55.01867	0.7
55.05524	1.0
56.05037	0.8
58.06598	0.8
67.05502	1.1
69.03417	0.6
69.07065	1.2
70.03637	0.6
70.06590	1.9
71.04998	0.6
72.08156	2.7
73.08494	0.7
79.05484	1.2
80.05070	0.3
81.03429	0.4
81.07053	1.4
83.04992	0.5
83.06112	0.9
83.08636	0.6
84.04509	14.0
84.05013	0.8
84.08151	1.7
85.02924	1.0
85.06558	0.5
86.09710	100.0
87.09497	0.3
87.10030	2.0
91.05498	1.1
93.07055	1.7
95.04974	0.9
95.08607	1.3
96.08146	0.8
97.06544	0.7
98.09705	0.6
99.04444	0.3
99.08096	0.7
102.05543	4.6
105.07030	1.4
107.04977	0.7
107.08575	2.1
109.06525	0.6
109.10190	0.9
110.09633	0.4
111.08108	0.6
111.53943	0.3
114.08237	0.3
114.09166	0.7
116.07122	2.1
117.07104	0.3
119.08612	0.5
120.08085	0.5
121.06515	0.5
121.10155	1.3
123.08072	0.4
127.03963	0.4
129.10272	0.9
130.10567	0.3
131.04866	0.4
131.08646	0.8
133.10184	1.7
135.08063	0.9
135.11681	0.4
137.09682	0.7
140.26968	0.4
143.11821	0.6
144.06570	15.1
147.11757	0.6
149.09621	3.1
150.09975	1.1
151.11073	0.5
162.07622	35.9
163.07964	0.6
163.14809	0.5
165.12808	0.3
173.13077	1.4
189.12657	0.5
190.13098	0.9
191.14308	1.8
193.36176	0.3
199.18051	25.1
200.18410	0.9
207.13838	1.0
208.14189	1.4
209.15405	1.8
225.14912	0.9
226.15237	2.1
227.17567	12.2
228.17752	0.3
275.16028	7.5
276.16275	0.4
352.24857	0.8
370.22052	0.7
370.25842	2.2
388.16608	0.4
388.22729	1.2
388.27252	2.8
388.30905	0.7
389.21533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.03423	1.5
67.05495	1.2
69.03430	1.0
69.07070	0.6
70.06579	1.2
71.04991	0.5
71.29726	0.4
71.45255	0.6
72.08147	1.6
73.06555	1.3
79.05481	2.3
81.07061	2.0
84.08134	1.1
86.09717	2.5
87.04476	4.3
89.06030	100.0
90.06366	1.7
91.05482	1.9
93.07040	1.8
95.04942	0.7
95.08604	1.4
96.08117	0.5
97.02895	1.1
97.06535	1.3
98.09701	3.4
99.08078	0.6
105.07034	2.2
107.07074	1.2
107.08579	1.4
109.06488	0.6
109.10124	0.6
112.59399	0.4
117.06992	1.1
117.09113	0.7
119.08591	0.9
121.10101	0.6
129.06990	0.8
131.07013	1.1
131.08577	1.4
133.08601	58.0
134.08966	1.1
142.12270	2.3
145.10152	0.7
147.11694	0.5
153.09174	0.5
157.10101	0.4
173.13232	0.9
175.09677	0.8
175.14848	0.4
177.11220	23.6
178.11580	0.7
189.12572	0.4
191.14326	0.9
195.12276	0.6
204.14009	0.5
221.13835	4.4
239.14937	1.8
265.16565	1.4
274.23120	0.4
283.17606	2.8
308.26059	0.4
309.19009	0.6
310.23734	0.6
327.20181	3.1
352.24811	0.8
353.21844	0.8
370.25952	3.8
371.22763	31.5
372.22998	2.1
382.68552	0.4
388.16528	1.4
388.26929	28.9
389.15680	5.3
389.27118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94658	4.8
53.03944	7.7
55.01878	9.4
55.05513	39.6
57.03442	10.3
57.07083	8.7
67.05505	100.0
69.07066	47.9
71.04988	7.5
74.06099	10.3
79.05499	40.9
81.07059	100.0
81.07504	8.9
83.04979	7.1
83.08614	29.8
84.08150	8.2
85.06548	4.9
85.97322	5.4
89.06046	8.8
91.05478	24.5
93.07054	53.3
95.08614	59.4
97.06526	11.4
97.10157	28.9
97.27294	4.6
105.04553	5.6
105.07037	13.1
107.08611	38.7
109.06570	6.4
109.10156	46.0
111.08106	7.8
117.07000	11.3
119.08583	14.8
121.10130	25.7
123.11736	14.3
124.15296	5.4
125.09639	21.9
131.08583	12.5
133.10178	15.1
135.08040	8.7
135.11729	29.4
137.13213	7.0
145.10162	6.8
147.11664	7.8
149.13257	13.4
153.12775	10.1
161.13289	6.2
170.11807	16.7
171.10207	10.4
173.11861	9.1
173.13269	6.1
177.16333	8.0
185.13312	6.7
187.14819	6.9
189.11238	9.0
197.08124	15.5
198.08498	10.8
204.13792	27.8
204.55592	5.8
227.12831	11.5
243.21104	16.8
245.13933	7.2
260.16452	6.6
261.22195	41.3
279.23172	60.1
321.73035	6.2
326.34048	6.5
353.26859	72.8
354.27164	6.4
370.26816	7.9
388.21155	47.6
388.28845	30.1
388.33417	9.6
388.37943	13.6
389.22549	15.7
389.27228	9.4
389.34506	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	388.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.7
67.05510	76.8
69.07049	21.8
69.25761	46.4
71.08624	49.6
79.05495	28.7
80.94861	16.5
81.07051	62.4
83.08630	17.2
89.06054	14.5
91.05478	28.7
93.07059	43.5
95.08599	56.8
97.10136	13.3
98.22707	24.7
99.08089	38.9
105.07005	17.6
107.08607	20.9
109.10173	27.7
119.08606	23.1
121.10134	26.4
127.80840	12.4
131.08548	19.0
132.10223	13.9
138.11282	10.5
147.11705	26.7
154.02701	13.0
163.14813	14.8
164.91951	12.5
165.12723	13.8
194.72789	12.3
204.13855	59.4
221.60622	11.6
229.14369	25.4
260.16357	23.3
261.22098	32.3
279.23233	49.3
283.26511	17.4
353.26871	95.4
388.21240	100.0
388.34180	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	389.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.6
60.05649	8.7
70.06226	3.1
70.06585	30.5
70.19029	3.8
72.08141	2.2
83.00976	3.9
84.08144	12.8
86.09708	7.8
93.47456	1.6
97.07655	6.1
98.97643	1.8
101.02000	4.1
109.96458	1.9
112.03614	6.3
116.05597	3.0
116.07059	2.8
118.04652	4.6
128.05580	4.2
129.10242	5.3
130.04649	4.7
130.08638	3.1
130.09685	1.5
137.05663	3.4
142.08243	8.2
145.03450	4.9
145.08238	1.8
147.11348	2.1
152.06706	3.7
153.05077	1.7
153.09862	2.9
154.08269	6.4
155.06653	13.2
156.05051	2.8
157.10881	2.8
158.09242	2.9
159.10875	1.4
160.09337	4.9
162.90776	1.5
168.06190	5.6
169.09355	22.5
170.07799	3.0
171.06123	2.0
171.10909	49.9
172.09369	11.8
172.10780	2.6
173.07727	39.9
174.07913	2.7
175.11923	14.8
179.07710	3.2
179.09084	3.4
186.07239	4.0
187.05643	1.7
187.10416	13.4
189.11966	41.8
190.12036	2.9
197.08858	17.0
197.10368	3.7
198.07222	5.8
198.09021	2.5
199.09300	2.8
205.08269	2.7
206.06747	2.1
215.09930	100.0
216.08301	11.2
216.10162	6.6
219.01958	1.6
221.07751	2.6
223.09273	44.9
224.09454	3.0
225.07114	3.8
232.96413	2.4
233.10951	38.0
234.11148	3.9
234.99675	2.0
239.08925	2.9
241.10355	12.6
243.08284	3.8
249.07227	8.6
255.12968	4.1
257.11047	3.8
258.98029	3.4
265.11453	41.7
266.11615	3.0
267.08401	12.6
275.02216	1.9
283.12518	14.5
285.10455	12.7
291.09311	5.6
303.11438	2.3
309.10376	21.2
327.11514	14.0
329.18378	2.1
335.08383	8.1
345.12476	2.8
346.95935	3.7
348.02542	2.1
353.09418	33.4
354.09695	3.0
359.14954	1.9
359.81201	1.7
371.10434	25.5
371.22992	2.7
372.10803	2.7
389.06134	3.0
389.11508	47.2
389.24890	3.4
390.11496	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86622	0.2
55.05513	1.8
56.05030	0.8
57.05811	0.2
58.06593	0.5
60.04514	0.3
60.05642	0.2
61.64933	0.2
64.76859	0.2
67.05505	0.4
69.03436	0.4
69.07073	0.6
69.77605	0.3
70.06605	2.4
71.04978	0.3
72.08156	20.0
74.06084	1.1
75.05575	0.2
79.05502	0.4
81.07058	0.7
82.06558	0.4
84.04517	0.9
84.08143	3.3
85.02917	0.4
86.09708	19.0
87.10053	0.4
91.05470	0.5
93.07045	0.4
95.04963	0.5
95.08609	0.5
96.08128	0.5
98.06052	0.3
98.09695	5.2
98.22713	0.8
101.07150	0.3
102.05547	0.5
102.09145	0.3
105.07032	0.8
107.08599	0.4
108.08154	0.5
109.06515	0.4
110.09722	0.2
111.08067	0.5
112.08709	0.3
114.09176	1.3
116.07106	0.4
120.06580	0.8
120.08127	0.2
128.10732	0.4
129.10251	2.6
133.06506	0.5
133.10089	0.4
135.08075	0.3
136.07611	0.4
143.11800	3.4
144.10205	0.3
155.11827	0.3
156.13831	5.9
157.09720	1.0
159.07712	0.3
159.11353	0.3
161.05984	1.3
162.07642	0.3
163.11238	0.3
170.13962	0.2
170.15433	0.9
171.11319	2.1
173.12860	1.9
183.11298	0.4
186.11266	0.3
187.10843	0.3
187.14398	1.3
189.12323	1.3
193.08607	0.7
200.13982	0.8
201.12347	1.6
203.13936	0.7
204.06551	0.3
209.07849	0.6
209.15436	0.4
211.09700	1.1
215.13962	1.2
216.16017	0.4
219.13417	1.7
225.16066	0.7
227.06847	0.3
227.08945	1.2
227.12469	1.4
227.70621	0.3
233.14880	1.2
247.64746	0.2
270.18118	1.7
272.16068	0.4
290.17093	0.6
353.28171	0.3
371.16724	0.4
371.22885	0.7
371.29132	3.3
372.27557	0.8
388.27145	0.3
389.17816	100.0
390.13162	0.5
390.18158	5.9
390.28650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11095	0.6
55.05508	2.2
56.05041	2.0
60.04517	1.1
60.05643	1.4
69.03439	0.6
69.07059	1.0
69.93047	1.3
69.93403	0.8
70.06592	11.0
71.04962	0.6
71.06912	0.6
72.08154	20.9
72.60172	0.7
73.08486	2.0
74.06081	1.8
83.06110	2.0
84.04506	18.0
84.08145	32.1
85.02917	1.1
85.08479	1.2
86.09706	100.0
87.05599	0.8
87.10044	2.7
88.03976	0.7
101.07148	2.0
101.10746	1.0
102.05547	8.2
107.04942	0.7
110.07198	1.5
112.07622	0.9
112.08714	1.8
115.08725	1.3
116.07079	0.8
122.07133	0.6
127.08685	0.8
129.06592	3.0
129.10243	16.6
130.05003	9.6
130.08635	1.8
130.10609	1.2
132.10182	1.8
141.06581	2.6
143.08076	0.9
143.11809	3.1
144.10168	1.6
147.07631	1.9
147.11288	1.2
148.06024	8.3
149.06047	0.9
155.08136	1.1
157.13364	30.8
158.13710	1.0
159.07657	2.0
159.09068	1.2
167.08122	0.7
170.04474	7.5
170.09973	0.8
171.11267	3.1
172.10733	1.2
173.09178	0.8
173.12857	2.8
175.11998	1.3
181.09740	1.3
185.12874	19.0
185.16496	1.8
187.07205	4.0
187.10913	1.1
187.14455	2.0
189.12395	1.9
193.08650	2.2
197.12892	2.0
197.16612	1.4
201.08862	1.1
201.12434	1.3
203.13953	0.8
205.08192	24.3
206.08366	0.9
212.10423	1.0
213.16008	1.6
215.12256	1.3
219.13446	1.8
227.36943	0.7
228.15959	0.9
240.09770	2.0
240.13509	1.9
242.14992	5.2
242.18623	1.1
243.13403	1.4
247.12968	1.3
258.10913	0.8
261.14432	2.0
268.67288	0.7
270.18167	0.7
318.16571	2.7
328.15027	2.0
371.19299	2.5
371.23035	2.1
389.14035	2.9
389.25031	15.9
390.25320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05513	4.1
57.07069	2.4
60.72626	1.9
62.87553	1.9
67.05500	9.3
69.03426	8.9
69.07071	9.1
69.27717	7.8
69.28126	4.4
71.04992	14.9
79.05499	8.5
81.03445	3.3
81.07046	15.6
83.04980	8.6
83.08627	5.0
85.02904	8.8
85.06551	2.2
86.09715	3.8
91.05476	5.5
93.07035	14.5
95.04932	3.1
95.08613	16.1
97.06526	3.8
97.10158	7.9
98.22703	4.9
98.48898	2.1
99.04462	12.8
105.07037	8.7
107.08589	34.9
109.06541	7.2
109.10156	14.2
111.08085	6.9
115.07635	3.8
119.08569	2.9
121.06515	4.7
121.10161	8.3
123.08051	3.3
123.11709	4.6
125.09620	15.9
126.61280	2.0
129.09048	2.5
130.25665	2.2
131.08566	5.2
133.10153	8.1
135.08054	10.2
135.11732	4.3
137.09669	3.3
139.07590	2.5
147.11668	7.8
149.09656	7.2
149.13266	7.2
151.11191	7.4
153.09081	4.2
163.14778	10.9
165.12769	5.6
173.13222	11.6
182.74373	2.3
183.13806	2.4
191.14304	29.7
209.15363	35.1
227.16406	100.0
228.16815	4.9
247.95886	2.5
271.05319	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03940	2.8
54.15743	2.9
55.01877	4.9
55.05511	8.1
56.05039	4.5
57.02554	2.7
57.03436	5.4
60.04527	8.2
67.05511	9.8
69.03436	4.5
69.07069	9.7
69.46246	11.7
69.46584	3.9
70.06595	21.7
71.04991	8.2
72.08154	25.6
79.05505	11.1
81.03403	3.9
81.07063	15.4
83.04985	4.5
83.06111	5.5
83.08602	3.1
84.04524	5.5
84.08166	14.2
85.02895	9.8
85.06578	5.8
86.09705	100.0
87.10057	5.4
91.05501	9.8
93.07036	13.4
95.04987	9.0
95.08598	14.6
97.02859	3.2
97.06582	2.8
98.09708	8.4
99.04465	8.8
99.08101	4.3
99.56778	3.5
102.08582	3.0
102.09177	14.8
105.07005	3.9
107.08597	26.8
109.06541	4.1
109.10170	8.3
111.08076	2.7
119.08556	4.9
120.08132	7.9
121.06490	4.7
121.10160	10.8
123.08124	6.5
125.09587	4.5
126.09176	4.4
128.10716	4.0
129.10275	6.8
130.06555	5.0
131.08566	5.9
132.08098	6.4
133.10130	9.4
135.08044	5.8
139.11220	3.8
143.11815	6.9
144.08138	3.7
145.10208	4.0
147.07729	5.2
147.11668	4.0
149.09610	14.2
149.13420	3.3
151.11197	6.6
153.09146	4.5
159.09207	13.1
162.07637	4.5
163.07973	5.0
163.14861	7.6
170.05988	3.4
173.13016	12.1
187.08682	4.1
188.03383	3.0
191.14340	21.1
196.14505	3.7
197.11736	7.0
197.45129	2.7
200.18385	3.9
201.12376	3.4
207.13882	2.7
209.15387	28.1
211.13376	4.9
219.13417	6.5
219.36194	3.0
227.12917	2.8
227.16316	8.5
229.09622	3.1
241.09639	3.7
254.60872	3.2
255.11314	5.3
255.14957	3.2
258.14514	4.6
272.17615	11.5
283.10776	7.6
300.17194	5.0
311.10184	3.9
328.21170	9.2
329.11197	13.6
354.26364	14.3
357.10745	13.3
371.26022	4.4
372.19360	3.0
372.23596	8.4
372.27554	12.7
389.13339	8.1
389.17404	7.2
389.27130	10.6
390.23422	4.9
390.28476	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05507	3.6
57.03444	1.3
58.06593	1.1
60.04520	2.1
67.05499	2.3
69.03415	2.1
69.07069	8.0
69.11275	1.8
69.11682	4.2
70.06601	4.3
71.04993	1.7
72.08149	3.2
73.04042	1.6
76.02219	2.4
79.05500	3.6
81.03428	2.7
81.07037	4.4
83.04978	2.3
83.08622	1.8
84.04504	1.3
84.08141	4.7
85.02903	2.6
86.09705	100.0
87.05611	1.1
87.10032	2.6
91.05489	2.5
93.07042	2.8
95.04962	2.7
95.08598	3.9
96.08118	2.6
97.02898	1.3
97.06535	17.0
98.09686	2.3
98.23489	1.8
99.04527	0.8
99.05570	1.3
99.08108	1.2
101.47375	1.0
105.07022	3.1
106.36407	0.9
107.08606	4.9
109.06507	2.2
109.10165	2.9
111.08075	2.3
113.48985	0.9
115.05430	2.4
116.01700	1.1
117.05748	2.2
118.06569	1.0
119.08591	1.9
120.08109	2.3
121.10149	3.3
123.08067	2.1
125.09641	2.1
128.10681	1.9
129.10275	1.9
130.06517	23.0
130.07440	1.6
131.08575	1.2
132.08084	21.5
133.08453	0.9
133.10130	2.7
135.11652	1.0
137.09589	1.4
139.11218	0.9
141.10210	4.3
142.06531	4.1
143.11804	9.7
144.08083	25.3
144.09161	1.7
145.06400	1.2
145.07567	8.6
147.11699	1.6
149.09612	1.8
149.13252	1.6
151.11198	2.2
155.11787	1.1
156.08136	1.1
158.08429	1.4
159.09181	46.9
160.07605	1.8
160.09494	2.4
162.02173	1.4
163.14828	1.2
169.12270	1.8
170.06004	25.6
171.06337	1.1
171.11334	3.4
173.12891	4.6
179.04819	3.7
187.08667	13.8
189.12395	1.2
191.14340	3.5
193.12199	1.5
198.12814	1.8
200.14351	10.8
201.12318	2.4
203.13861	2.5
209.15349	9.4
210.12773	3.9
211.13228	4.2
212.14041	1.1
219.13420	5.9
227.12807	1.3
227.15556	6.1
240.13393	4.8
245.18619	3.7
255.14915	14.4
258.14551	2.8
272.17572	53.4
273.17908	4.0
283.14429	2.9
284.19678	2.1
292.50693	1.0
300.17047	11.9
354.26599	1.1
372.19208	3.5
372.27542	2.7
389.10486	1.5
389.17902	9.1
389.25742	2.0
390.28488	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	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.53679	1.4
55.05513	4.8
57.03452	1.4
57.07084	1.7
59.08971	1.6
59.66210	1.4
63.44085	1.3
64.37890	1.5
67.05506	3.6
69.03418	14.0
69.07065	4.0
69.10904	1.4
69.13548	9.9
70.06590	2.3
71.04983	2.3
72.08161	4.5
79.05488	4.5
81.07055	7.3
83.04991	7.7
83.08612	3.7
84.08146	2.3
85.02916	6.1
85.06555	3.4
86.09715	5.7
91.05499	4.2
93.07018	8.6
95.04967	3.0
95.08617	6.6
95.36526	1.6
96.68533	1.4
97.06506	1.3
97.10195	5.1
98.09699	1.8
98.22707	3.0
99.08099	7.9
105.07039	2.7
107.08614	18.7
109.06514	3.9
109.10171	5.9
110.92325	1.3
111.08092	3.3
119.08554	2.1
121.10149	14.6
123.11684	1.7
125.08709	2.3
125.09631	47.9
129.10219	1.8
133.10117	5.8
135.08060	6.3
137.09587	2.4
139.07542	2.8
147.11688	1.9
149.09615	68.5
149.13286	6.0
150.09961	2.3
151.11183	15.2
153.09070	12.1
154.09709	2.3
154.47041	1.6
160.84361	1.6
163.14839	9.5
165.12717	1.7
167.10573	1.5
173.13309	3.8
191.14297	28.6
204.93887	1.5
209.15367	100.0
210.15695	4.6
227.16377	7.2
247.58499	1.4
249.74873	1.3
361.06866	1.6
372.27380	2.3
389.15936	2.6
389.27133	2.4
390.28583	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81971	0.8
55.05489	0.8
57.07057	0.8
60.18906	0.7
67.05497	0.8
69.51644	2.2
69.52047	1.2
70.06579	2.0
72.08142	1.3
73.41991	0.6
79.05471	0.8
81.07062	1.2
88.07601	0.8
91.05488	2.8
98.09704	0.8
98.23489	0.7
117.06983	0.8
118.97365	0.7
122.76598	0.7
123.11576	0.8
125.94254	0.7
205.14142	0.6
249.61525	0.7
268.20502	1.0
284.29407	1.1
324.95117	0.8
328.32169	2.7
389.22964	100.0
390.23004	8.0
390.36038	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98055	3.9
66.29363	3.9
70.06586	5.1
72.08160	5.6
85.02918	15.9
86.09711	9.5
91.05475	6.1
95.05039	4.4
97.02872	4.6
97.51000	3.8
98.09682	3.9
105.07019	36.3
115.05450	9.7
119.04941	7.5
133.06482	48.8
149.02351	17.9
161.05971	100.0
167.03421	3.9
193.08595	64.1
211.09673	13.5
390.18100	5.6
390.22809	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28334	1.9
63.42111	1.9
69.03404	2.2
70.06568	2.0
70.22192	2.4
70.22528	3.3
71.08643	2.6
75.98203	1.7
84.08165	2.2
85.02890	11.0
86.09721	2.1
97.02900	3.5
104.72815	1.9
114.34274	1.7
121.06490	5.6
123.04441	13.0
127.03833	2.0
133.06519	2.3
137.06015	2.2
141.04726	1.7
147.04411	11.7
149.02301	9.3
149.05988	44.6
150.06284	2.5
151.07451	2.3
159.09222	2.0
165.09128	4.1
175.07538	10.2
193.08604	100.0
194.08884	3.2
211.09676	10.1
229.55658	1.8
257.56662	1.8
296.40311	2.2
390.22690	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56299	2.2
53.27830	2.3
56.96571	32.1
61.92728	2.4
63.26206	2.5
63.51426	2.2
69.63412	10.5
79.05499	11.1
79.93603	2.3
80.94845	3.6
81.07060	2.9
91.05492	9.1
96.05003	2.5
96.84600	2.7
98.23466	2.8
98.97593	5.4
105.07031	5.3
107.08655	6.2
110.97536	4.7
115.00728	2.6
123.04427	3.6
128.98642	7.7
129.95363	2.3
131.08585	4.7
133.10101	4.7
146.99663	5.2
149.02309	3.2
149.28502	2.3
151.07515	2.6
171.03262	6.6
173.04883	4.3
185.04840	4.1
189.04340	5.7
199.06395	7.0
217.07558	4.9
223.02745	5.9
223.08569	3.3
225.04366	4.2
243.09158	19.1
255.08910	4.5
261.10141	8.8
279.09192	4.9
280.09796	7.6
297.10123	5.9
317.01120	2.9
321.17902	3.0
330.24188	7.0
331.09866	3.0
331.15799	62.2
332.16235	5.2
349.16870	100.0
350.17249	5.5
355.18585	2.9
367.17896	31.3
372.18393	10.9
390.21661	3.5
390.30319	4.5
392.10651	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	390.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.96572	11.5
57.07084	6.1
58.06602	1.9
67.05524	0.8
68.51782	0.5
68.96812	0.5
69.07053	0.9
69.66788	0.5
70.06584	18.0
71.08642	2.7
71.95274	1.0
72.08150	2.1
72.96058	0.7
80.94854	0.5
81.07064	1.1
84.08173	1.2
85.10209	1.2
86.09727	2.3
87.58163	0.5
88.07632	12.9
89.06063	0.9
91.05506	2.0
95.08636	0.8
97.96791	5.0
98.09715	1.8
98.97614	1.0
102.09178	7.6
110.97597	3.4
114.09159	0.5
115.97865	2.3
116.98672	0.6
117.07062	1.1
117.20714	0.6
128.98628	2.5
131.08597	1.3
132.10216	5.8
134.73711	0.6
141.99423	0.7
142.12288	0.9
143.00182	0.8
146.11771	6.9
146.99693	1.5
155.00153	0.7
155.03821	0.7
171.03334	1.0
173.01237	0.6
173.22197	0.6
175.02808	0.6
185.01263	0.7
185.04948	1.6
189.04388	0.9
191.49100	0.6
193.86850	0.6
198.05785	0.9
199.02834	0.9
199.06448	1.4
201.04311	0.8
203.05959	1.6
205.07513	1.0
213.04178	0.7
213.08069	2.8
217.07542	1.3
223.10056	1.1
227.06000	1.0
227.09550	0.9
231.09140	2.4
237.04384	0.9
237.08066	0.7
239.09529	3.7
240.26895	1.5
241.11108	18.4
242.08322	2.8
242.11313	0.6
243.09091	0.6
245.10571	0.7
251.09573	0.8
253.11200	1.4
255.08997	0.9
257.10709	1.8
259.12177	16.9
259.14819	0.9
260.09528	1.0
264.12820	1.7
266.28491	0.9
267.09116	1.2
269.10742	2.5
279.09097	1.3
280.09872	1.6
282.13797	0.8
284.29468	28.3
285.29831	0.8
297.10022	2.8
298.10965	1.8
307.15903	1.3
316.12024	1.1
328.32101	30.7
331.15689	4.6
349.16861	32.3
350.17313	2.3
355.18549	0.8
367.17926	43.9
368.18192	3.3
372.34735	2.5
385.18912	2.6
390.19351	5.0
390.35858	100.0
391.24554	41.9
391.35834	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	390.2275
Annotation	11(S),12(R)-Dihydrostemofoline
Peak:m/z	Relative Intensity
51.11518	0.3
55.01856	0.8
55.05497	1.0
67.05489	0.8
69.03426	3.1
69.77937	0.7
69.78322	0.7
70.06588	3.0
71.04983	1.5
71.27621	0.3
79.05493	0.9
80.05012	1.4
81.07054	3.5
84.08144	1.0
86.09697	0.6
91.05483	0.7
93.07037	1.3
94.06589	0.8
95.04967	0.6
95.08597	0.9
96.08125	1.0
97.02880	1.3
98.23354	0.5
99.04430	0.6
105.07006	0.5
107.08598	1.4
108.08114	0.4
109.06510	1.2
110.09673	1.0
111.08069	1.1
119.08586	0.8
120.08090	0.5
121.02869	0.6
121.10159	0.4
122.09668	2.6
123.08044	0.7
124.08835	1.1
124.11225	0.7
125.05973	0.5
126.09195	0.4
128.07001	0.4
135.08018	0.5
136.11211	1.8
137.05975	8.4
145.10143	0.4
149.02339	2.2
150.09154	2.2
151.07571	0.4
152.10696	0.5
154.12312	0.6
159.11725	0.5
162.12791	0.7
164.14304	0.4
166.15907	2.1
168.10228	1.9
182.11752	5.1
184.13287	0.9
186.16983	0.4
190.15898	0.5
191.05006	0.4
194.15399	1.0
204.13965	0.4
221.11778	2.1
234.14937	0.4
236.16455	5.9
264.19577	2.9
292.19025	7.1
293.19391	0.4
316.19128	2.7
324.88080	0.4
365.79471	0.4
390.22729	100.0
391.08221	1.9
391.23019	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	390.2639
Annotation	Daphnigraciline
Peak:m/z	Relative Intensity
53.03928	0.6
55.01851	0.6
55.05511	5.3
56.05027	2.6
57.07048	0.5
58.06598	3.8
67.05502	9.5
67.24808	0.4
69.03399	0.6
69.07069	3.3
69.24065	1.3
69.24475	0.8
70.06592	28.9
71.04970	0.6
72.08156	2.1
76.18526	0.4
77.03881	0.4
79.05492	3.0
80.36395	0.4
80.86735	0.4
81.07056	9.7
82.06541	1.7
83.08620	1.9
84.04493	0.4
84.08150	3.1
85.02898	0.5
86.09700	2.0
91.05485	2.1
93.07040	2.9
94.06549	0.5
95.04975	2.3
95.08041	0.4
95.08604	7.2
96.08126	3.4
97.06480	0.5
97.08946	0.4
98.09686	6.0
101.00394	0.5
105.03392	0.5
105.07010	1.5
107.04981	1.9
107.08567	1.4
109.06505	0.5
109.10123	1.6
110.09673	1.9
119.08543	1.1
120.08067	0.9
121.06479	1.5
121.10088	0.8
123.04428	25.5
124.04731	0.5
124.11187	0.6
128.10637	0.6
131.04968	0.4
133.06444	0.6
135.04402	0.9
135.08011	0.9
135.11615	0.7
137.05933	1.2
142.12245	1.6
147.04391	1.4
147.07980	0.4
147.11612	0.6
149.02344	1.1
149.05971	4.6
156.13832	0.5
161.05983	1.8
163.07504	2.2
164.07413	0.5
175.07549	0.8
193.12259	0.4
197.90977	0.4
208.20630	1.0
248.16406	0.5
285.12354	0.6
302.21100	1.0
330.24255	100.0
331.24585	9.0
354.26282	0.5
372.21146	0.5
372.25693	0.7
390.26370	89.4
391.21674	0.7
391.26709	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	390.3006
Annotation	NAGABA
Peak:m/z	Relative Intensity
53.14735	1.0
55.05511	4.7
56.05038	3.2
57.03439	2.8
58.06609	7.7
66.45989	1.0
67.05512	11.3
69.07063	8.7
70.06616	3.0
72.01285	1.0
74.06086	21.5
79.05493	6.0
81.07061	9.9
82.06586	1.4
83.05004	1.0
83.08607	2.9
84.08141	18.8
85.02077	1.0
88.07687	1.2
91.05482	31.3
93.07037	6.4
95.04988	1.4
95.08604	11.0
97.06539	3.1
97.10174	1.3
98.09684	1.4
98.98488	4.0
99.08106	1.4
100.07616	1.6
105.07034	6.4
107.08606	5.3
109.10174	4.6
110.09699	3.7
115.05432	1.0
117.07023	14.8
119.08575	2.8
121.10181	5.0
123.11642	1.3
128.10706	15.7
129.07013	2.5
129.11063	1.1
131.08571	20.8
133.10136	2.9
133.30847	1.0
135.11732	4.0
143.08618	3.4
145.10138	3.0
145.68953	1.0
155.01057	4.7
157.10213	2.0
168.13661	1.2
169.10136	1.5
170.11763	26.5
171.11772	1.8
187.14790	1.7
201.14896	1.6
217.33347	1.1
219.21286	1.1
229.14305	1.4
237.22180	1.9
256.26370	1.5
312.26840	9.8
330.27908	7.1
354.28018	2.7
372.28992	19.6
372.33441	1.8
373.29599	2.5
390.22327	6.2
390.30136	100.0
391.24976	4.7
391.30466	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
57.07075	1.4
58.06593	0.4
70.06590	4.4
70.72417	0.4
71.08630	0.6
72.08160	0.5
75.39024	0.3
81.40585	0.3
84.08128	0.5
86.09720	0.9
88.07619	1.2
102.09140	0.4
132.10194	2.2
146.11737	1.8
155.73689	0.4
163.61388	0.3
191.16518	0.4
241.10995	0.4
242.11412	0.4
260.12576	0.7
284.29504	1.0
285.29834	0.8
321.16788	0.9
328.32071	5.5
329.32373	4.5
350.17221	1.2
368.18219	1.6
390.35803	10.3
391.24545	100.0
391.35806	13.2
392.24878	7.0
398.07388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	3.2
58.06593	1.1
62.17083	0.8
68.64005	0.7
70.06595	8.5
70.08264	2.3
71.06929	0.9
71.08633	2.1
73.18167	0.8
73.52319	0.7
80.94843	2.7
81.04274	0.8
84.08115	1.1
86.09716	1.3
88.07627	3.2
90.97689	1.0
98.97661	1.0
102.09206	1.4
132.10219	2.9
146.11769	2.7
149.02332	6.3
165.16998	1.0
284.29556	4.3
285.10049	1.2
285.29816	2.3
328.32120	9.0
329.32397	8.2
369.19711	1.8
390.35776	28.1
391.24551	100.0
391.35941	25.1
392.24872	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	391.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80402	0.4
54.38165	0.4
55.05505	0.5
56.96562	0.4
70.06562	0.5
70.08207	1.3
79.05472	0.7
81.07051	0.9
91.04672	0.5
91.05428	1.4
93.07029	0.7
95.04979	0.6
95.08616	0.5
105.07039	0.7
107.08613	0.6
121.10226	0.5
131.08594	0.8
136.16629	0.5
143.08553	0.7
145.10121	1.0
149.02393	2.0
153.48152	0.5
157.10197	0.6
211.14915	0.4
219.12132	0.4
223.14709	0.5
235.19238	0.4
373.24362	0.5
390.35690	1.0
391.24551	100.0
392.24789	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	391.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	1.1
70.86352	0.7
72.78161	0.4
80.94846	1.6
82.94553	0.4
88.07641	0.5
92.87923	0.4
138.24327	0.4
149.02336	2.6
164.91971	0.4
169.07361	0.5
216.04091	0.4
236.27367	0.4
262.80453	0.5
274.97495	0.5
318.38339	0.4
328.32141	1.4
329.32587	1.1
333.17340	0.7
336.94843	0.6
351.18274	0.6
369.19510	1.2
373.12170	1.8
390.35837	4.1
391.24548	100.0
392.24945	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	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34254	0.3
52.73960	0.3
57.07069	0.6
67.05501	0.5
76.42770	0.4
81.07051	1.5
91.05473	1.2
93.07030	1.6
95.04966	1.2
95.08604	0.8
105.07010	1.8
107.08602	1.1
109.06544	0.5
117.07073	0.4
119.08592	1.8
121.06488	0.5
121.10152	0.8
129.06999	0.4
130.07805	0.6
131.08557	0.7
133.10127	0.9
143.08542	0.9
145.10129	1.5
147.11697	0.4
149.02310	0.8
150.90619	0.4
156.09387	0.4
157.10161	0.8
159.11662	0.7
161.56544	0.3
169.10007	0.4
183.11702	0.5
188.39304	0.4
193.10040	0.5
195.11719	0.5
197.13271	0.4
207.11705	0.6
209.13194	0.5
223.14871	0.5
233.13133	0.5
235.14693	0.5
285.10806	0.4
285.29599	0.4
390.35873	0.6
391.24524	100.0
392.24808	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.5
57.07078	0.5
62.71529	0.4
70.06618	0.4
71.44630	0.3
80.94857	0.5
88.07613	1.7
95.63995	0.4
149.02353	1.8
155.90096	0.4
284.29422	0.4
298.30872	0.4
299.31458	0.7
336.95081	0.5
390.35901	3.0
391.24545	100.0
392.24835	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05505	4.8
57.07088	1.1
60.32092	1.2
67.05515	6.6
67.48107	1.1
69.07069	4.2
69.50172	2.4
69.50562	2.7
76.61604	1.1
77.03905	2.1
79.05505	10.1
81.07058	15.4
83.04993	2.1
85.06537	3.6
91.05473	14.9
93.07040	15.2
95.04963	16.9
95.08609	7.7
97.06522	2.4
98.22684	2.3
103.05480	2.7
105.07030	26.2
107.04975	1.7
107.08589	12.2
109.06522	5.3
109.10141	4.6
111.08083	1.6
115.05470	1.9
115.49207	1.2
117.07056	6.2
119.08579	21.6
121.06506	5.7
121.10127	10.6
123.08073	2.2
123.11694	1.5
128.06248	5.1
129.07050	6.4
130.07796	1.7
131.08553	10.0
133.06537	1.4
133.10124	7.6
135.08046	2.3
135.11674	1.3
141.06969	2.4
142.07741	7.7
143.08553	11.3
144.09340	1.5
145.06418	1.7
145.10133	22.5
147.08063	2.8
147.11729	6.4
149.09561	1.9
153.07022	1.5
154.07770	1.5
155.08585	6.8
156.09355	4.5
157.10118	13.6
158.10941	1.7
159.08115	2.1
159.11699	7.9
161.09656	4.5
165.06975	3.9
166.07819	2.3
167.08586	3.3
168.09352	3.1
169.10118	11.6
170.10933	2.0
171.11693	7.5
173.09679	4.1
173.13289	4.7
175.11220	3.0
179.08614	4.6
180.09274	1.8
181.10201	6.3
182.10883	3.6
183.11682	9.7
185.09589	2.6
185.13252	4.0
187.15038	1.6
189.09143	1.5
189.12688	1.6
191.14304	3.0
192.09344	2.8
193.10165	6.8
194.10872	3.8
195.11685	5.5
196.12477	2.4
197.09537	2.7
197.13264	9.6
199.11183	4.5
199.14761	3.2
206.10899	2.8
207.11659	7.3
208.12494	3.8
209.13289	9.9
210.13811	1.8
211.14738	3.2
217.15941	2.6
219.11639	2.7
220.12410	1.6
221.13197	6.6
222.13974	2.1
223.11330	2.0
223.14851	4.5
225.12769	1.8
227.14252	1.6
231.11789	1.7
232.12451	1.5
233.13271	4.8
233.15314	2.9
234.14114	1.9
235.14780	5.2
239.17708	1.7
245.13333	2.1
246.14041	2.3
247.14821	3.5
249.16463	5.0
251.14206	2.5
251.17990	1.9
253.15846	1.7
261.16446	3.1
263.17972	2.6
267.17426	1.6
269.18988	2.7
273.16385	2.4
275.18036	4.1
277.19312	1.4
279.17407	4.0
281.18912	2.8
282.19797	3.8
289.19363	2.0
291.17709	1.6
293.19016	2.3
295.20322	2.1
297.18463	2.7
315.21146	2.0
317.18808	1.7
325.19775	1.4
335.20105	4.3
343.20648	1.5
345.25479	1.5
347.23758	1.5
355.24188	2.2
373.25201	9.5
374.25922	1.8
391.25452	100.0
392.25833	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
57.07069	1.2
66.16115	0.7
67.05501	1.5
77.12468	0.7
77.47992	0.7
79.05467	2.5
81.07065	5.3
91.05478	3.5
93.07036	4.6
95.04967	5.4
95.08604	1.9
105.07043	7.3
107.08564	2.8
109.06497	1.0
109.10157	1.4
109.25843	0.7
114.14501	0.7
114.66803	0.7
117.06977	2.3
119.08587	6.0
121.06499	1.6
121.10111	2.8
128.06207	1.1
129.06985	2.5
131.08524	2.7
131.56604	0.7
133.10118	2.8
135.08096	0.9
142.07735	1.9
143.08572	3.8
145.10138	5.5
147.07985	1.6
147.11687	0.9
148.82375	0.7
149.09558	1.3
155.08514	2.3
156.09271	1.7
157.10124	4.5
159.08076	2.0
159.11665	1.8
161.09613	1.6
166.07661	1.1
167.08549	1.0
169.10118	2.9
171.11674	2.0
173.09576	1.2
173.13234	1.4
177.09056	0.8
179.08560	1.7
181.10107	2.1
182.10825	0.8
183.11696	2.5
185.13173	1.6
193.10127	1.3
194.10925	1.0
195.11607	2.3
197.13194	2.2
199.11176	1.0
206.10916	1.1
207.11664	1.9
209.13214	2.2
211.14804	0.9
221.13144	2.4
222.13843	1.2
223.14781	2.1
233.13116	1.1
234.13968	1.0
235.14778	1.3
237.16281	1.3
247.14813	1.1
249.16249	1.5
263.17801	1.3
269.19165	0.7
273.16333	1.1
295.20731	0.8
297.18451	1.1
363.24985	1.4
373.25101	1.8
391.24500	100.0
392.24765	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39226	3.2
55.05509	7.0
56.91991	2.9
57.07066	4.2
59.50908	3.0
62.98571	3.5
67.05508	8.0
69.07069	6.0
70.70144	5.8
71.08636	4.1
79.05479	14.6
81.07054	21.6
83.08607	4.3
91.05492	18.2
93.07041	22.6
93.15364	3.3
95.04962	22.5
95.08613	12.8
97.10206	3.8
105.07021	30.2
107.08574	12.7
109.06529	9.3
109.10170	5.2
117.07006	6.0
118.93926	3.3
119.08576	32.9
121.06480	5.1
121.10146	14.0
129.06992	8.6
130.07794	6.1
131.08580	10.1
133.10144	9.0
135.08040	4.2
141.06984	3.0
142.07745	9.6
143.08582	22.4
145.10112	27.4
147.07993	5.5
147.11658	6.5
149.02347	14.4
149.09595	5.4
155.08522	3.8
156.09277	5.3
157.10136	21.5
159.08070	3.4
159.11693	7.2
161.09560	8.9
167.08484	4.0
169.10155	7.5
170.10916	6.4
171.11707	10.2
173.13249	9.6
180.09387	4.4
181.10123	9.5
182.10838	4.8
183.11646	11.0
185.13208	7.6
193.10107	10.4
194.10910	4.2
195.11667	9.2
197.13223	11.9
199.14821	5.9
201.12675	3.7
205.10188	3.1
207.11740	8.8
209.13297	9.5
211.14845	10.3
217.15800	4.7
221.13231	8.7
223.14748	5.8
233.13248	5.7
233.15355	4.4
234.13994	3.9
235.14963	3.9
237.16547	4.6
251.14307	5.5
263.14316	3.7
271.20154	3.9
275.18173	3.5
277.61990	4.3
282.19843	8.0
291.17575	4.3
317.18863	3.8
335.19775	3.4
373.25034	12.0
390.36255	3.7
391.25302	100.0
391.36060	18.4
392.25824	3.7
393.95242	3.1
414.55121	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01875	8.2
55.05512	33.6
57.03443	7.9
57.07080	9.4
65.03934	3.7
67.05499	33.4
69.03436	3.4
69.07069	40.1
69.53258	14.6
71.08636	5.7
72.09579	3.4
79.05494	43.5
81.07060	65.5
83.04983	7.7
83.08611	20.9
85.76618	3.5
89.18830	3.1
91.05484	47.3
93.07046	51.1
95.04982	22.7
95.08612	36.3
97.06518	19.7
97.10188	13.6
98.98470	57.2
103.05459	5.1
105.04528	4.4
105.07032	100.0
107.08587	37.2
109.06533	16.5
109.10158	23.4
111.08080	3.3
111.11704	4.8
113.28026	3.8
115.05491	6.7
117.07031	25.6
119.08588	83.6
121.06509	10.2
121.10148	36.5
123.11684	7.3
125.05991	81.5
128.06244	13.5
129.06989	19.2
130.07788	11.3
131.08566	51.6
133.10127	71.5
134.10507	3.8
135.11713	32.6
137.13272	6.4
141.07053	9.6
142.07779	20.7
143.08578	36.6
144.09326	11.7
145.06429	3.7
145.10132	92.0
147.11694	9.8
149.02354	12.8
149.13284	7.8
151.07626	4.9
155.01035	76.2
155.08546	14.4
156.09380	11.6
157.10132	44.9
158.10831	5.1
159.08049	6.4
159.11667	27.2
161.09651	19.4
165.07051	4.7
167.08623	6.5
168.09312	4.9
169.10159	19.1
170.10863	9.9
171.11707	16.9
173.09607	6.9
173.13281	32.8
175.14847	26.4
177.09129	5.1
179.08499	8.7
179.10645	4.9
180.09381	5.2
181.10121	14.6
182.10912	7.0
183.11717	16.6
185.13322	10.5
187.11136	5.0
187.14874	40.8
191.10602	7.5
193.10199	5.8
194.10933	8.4
195.11723	13.9
196.12566	4.3
197.13342	13.2
199.11186	6.7
199.14833	13.5
203.10655	7.3
206.10838	7.4
207.11688	7.4
208.12436	5.1
209.13298	16.0
211.14915	6.0
217.12292	3.9
219.21152	8.6
221.13316	11.6
223.14890	10.1
233.13332	8.3
235.14894	5.9
237.22087	21.2
239.18146	4.4
252.18816	4.6
263.17880	5.3
277.19507	8.0
391.12921	5.2
391.19659	4.8
391.25177	35.9
391.30377	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13895	1.6
68.32448	1.6
69.03445	2.1
70.06578	8.8
71.45903	1.5
81.07092	1.6
85.02906	8.4
86.09693	4.6
103.05495	2.0
105.07011	4.4
107.04946	42.0
115.05529	1.9
116.07050	2.8
120.08109	2.4
123.04411	4.4
135.08038	11.6
136.07573	2.4
144.10214	2.3
146.63504	2.0
147.20332	1.8
149.02335	8.5
149.05908	2.9
150.02754	2.8
154.06233	2.4
163.07533	33.0
167.07027	90.7
168.07362	3.9
180.07773	2.1
181.08531	1.7
195.10168	22.5
213.11206	100.0
214.11476	3.7
249.15956	3.0
374.29062	2.1
392.24692	7.8
393.24722	61.0
399.08182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07939	0.6
56.96564	26.7
57.07091	0.7
57.48545	0.7
69.23462	3.6
71.95271	0.7
72.96045	1.4
80.94848	1.6
84.96059	0.8
97.96835	0.9
98.22665	1.0
102.42907	0.6
106.96783	0.6
110.97560	6.9
128.98569	6.2
135.56136	0.6
137.02757	1.3
141.02267	0.8
146.99670	2.4
151.04271	0.9
155.03751	1.2
169.53375	0.8
169.86342	0.7
171.03293	1.8
185.04764	0.9
186.05656	0.7
189.04475	0.6
195.06857	0.7
199.06454	3.0
203.05923	1.6
204.06697	2.1
205.07480	0.8
207.31770	0.6
213.07930	3.6
217.07494	3.1
218.04625	2.3
221.08536	0.9
222.55867	0.8
223.09958	4.2
225.08023	1.9
231.07109	0.7
231.09058	2.9
239.09598	3.9
241.11102	53.7
242.11366	1.5
243.08994	0.9
251.09500	1.0
253.11118	2.0
257.10446	1.6
259.12164	47.9
260.12445	1.7
264.12756	4.2
267.09152	0.8
269.10577	5.9
271.12097	1.0
282.13785	2.7
287.11694	2.9
299.11621	0.8
309.17468	2.3
310.94214	0.7
329.32370	1.0
333.17337	4.0
339.18546	1.2
351.18387	49.5
352.18826	2.8
357.19949	1.3
369.19473	100.0
370.19788	6.5
374.19940	2.9
375.20264	0.9
387.20499	7.1
388.20801	0.8
391.36108	3.0
392.20981	18.2
392.36511	1.3
393.21643	1.4
393.26096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05495	0.8
56.05030	1.0
56.96567	0.5
57.03438	5.2
57.11468	0.4
58.06604	0.7
59.28512	0.4
61.02914	1.5
67.05511	1.2
69.03435	4.6
69.07061	1.0
69.23734	2.7
70.06600	5.8
71.04991	1.8
72.08158	3.2
73.02923	0.8
74.06061	0.6
76.02241	0.5
79.05496	4.7
81.03409	1.8
81.07053	2.0
83.04989	4.5
83.08631	0.8
84.04498	1.4
84.08150	4.4
84.47718	0.4
85.02905	6.6
85.06557	0.9
85.08468	1.0
86.09709	2.4
87.04461	1.2
87.72191	0.5
91.03971	0.6
91.05492	1.0
93.07050	8.6
95.04978	1.8
95.08625	2.3
97.02903	3.0
97.06531	0.9
98.09687	3.1
98.23390	1.3
99.04436	1.9
105.07042	3.0
107.08597	13.1
109.02879	0.7
111.08100	1.2
113.05984	0.8
116.01662	0.8
116.07058	0.7
117.03735	0.7
120.08122	2.5
121.10158	10.0
123.08008	0.8
125.09590	1.1
127.03905	1.2
129.10217	0.9
130.04979	1.0
131.08553	3.3
139.11159	4.0
144.01141	0.5
145.04951	0.9
149.02432	0.9
149.09621	18.6
160.07825	0.6
162.02214	0.8
167.10683	7.8
185.11746	1.0
212.16435	3.5
217.13611	1.7
230.17523	100.0
231.17813	4.6
245.09680	2.9
245.11884	0.5
276.88080	0.6
350.10379	0.7
392.22781	42.5
393.22800	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	392.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05273	0.6
55.05513	4.0
56.05016	1.6
57.03408	3.1
57.07049	3.0
57.63429	0.6
58.06588	1.2
61.02906	1.8
64.22352	0.7
65.03910	1.3
67.05505	13.1
69.03409	1.6
69.06779	0.6
69.07066	7.4
70.06566	2.1
71.04974	2.7
71.08614	0.9
72.08157	5.6
76.48643	0.7
77.43980	0.7
79.05051	1.2
79.05492	21.2
81.03430	1.3
81.06631	0.9
81.07056	13.9
82.06582	0.8
83.04995	3.5
84.08148	3.4
85.02908	4.1
85.06526	1.5
86.09708	49.2
87.09985	0.7
91.05475	14.6
92.44411	0.6
93.07047	40.7
94.07352	0.9
95.04954	2.5
95.08087	0.8
95.08610	7.1
96.08095	0.9
97.02879	1.8
97.06525	5.5
98.09702	15.1
99.08067	3.7
103.05463	0.9
105.03388	1.5
105.04507	1.2
105.07018	5.0
107.04954	4.0
107.08596	15.7
109.06508	1.4
109.10152	1.4
111.08077	1.6
113.09650	0.9
114.09167	1.9
117.06990	3.5
119.08566	2.5
120.08108	29.4
121.02898	1.0
121.06508	1.1
121.10104	2.9
123.04440	13.3
124.11243	0.9
125.06025	5.0
128.10692	2.0
129.06987	2.3
130.37337	0.7
131.08577	3.3
133.09169	1.3
133.10135	18.8
135.08098	1.5
135.11691	94.1
136.12027	2.2
137.02313	1.3
137.05992	1.1
139.07533	3.1
141.06935	0.7
142.12288	4.5
143.08548	1.3
147.04367	0.9
147.11687	0.9
149.05992	2.7
149.13261	5.3
153.09091	1.5
153.12752	1.6
156.13843	3.8
159.11673	5.0
161.05920	0.9
163.07518	2.2
166.08629	1.2
169.10051	0.7
175.07515	1.4
177.12721	6.1
191.11270	0.7
195.13797	15.4
199.18048	11.2
207.02306	0.7
213.14850	100.0
214.15233	5.1
227.17590	5.4
233.16492	10.4
254.21294	0.9
261.16049	4.8
270.18243	0.7
279.17099	3.4
356.25980	1.8
374.22879	1.1
374.26904	9.3
385.48044	0.8
392.28122	63.2
393.18570	0.9
393.23862	0.9
393.28320	3.7
408.75677	0.8
409.07349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44252	0.4
55.05497	0.8
56.05031	0.6
57.03445	1.6
58.06608	1.2
67.05509	2.2
69.03431	0.6
69.07070	9.1
70.06585	1.9
71.05003	0.7
71.44716	0.6
72.08150	2.5
79.05498	1.9
80.01579	0.4
81.07064	2.6
82.06582	0.4
84.08141	1.7
85.02913	0.6
85.06532	0.5
86.09712	100.0
87.10044	1.6
91.05499	2.2
93.07047	2.3
95.04993	0.6
95.08611	1.9
96.08128	0.5
97.06519	1.2
98.09702	3.9
99.08096	0.5
103.05472	1.9
105.03355	0.4
105.07037	1.4
107.04961	0.9
107.08630	1.2
109.10189	0.6
110.09711	0.7
111.58649	0.4
112.63221	0.4
114.09164	0.7
117.07023	1.1
120.08109	80.4
121.02905	0.8
121.06526	0.7
121.08438	2.0
121.10149	0.6
123.04437	5.2
128.10741	2.1
129.06976	1.0
131.08517	0.9
132.10226	1.6
133.06375	0.4
133.10144	0.6
135.11748	0.5
141.06963	0.6
142.12280	1.4
143.08557	0.5
147.08022	0.4
149.02306	0.7
149.05952	1.4
150.02672	0.5
166.08664	1.1
167.03400	0.4
171.11612	0.5
177.16333	1.1
199.18066	12.4
205.09050	0.5
213.11275	0.5
213.18452	1.0
227.17561	6.3
229.40228	0.5
231.11208	0.8
233.16499	31.8
234.16737	2.1
257.93854	0.4
261.16006	12.7
262.16202	0.9
270.51859	0.4
279.17056	14.3
280.17422	0.7
320.25833	0.5
348.25156	0.5
356.25940	0.5
374.23495	0.8
374.27106	3.2
375.23254	0.5
392.23868	6.2
392.27853	19.7
393.18765	2.7
393.28085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01875	3.3
55.05508	12.5
55.78680	1.1
56.05033	13.8
57.03430	7.8
57.07100	2.3
58.06595	5.6
60.04515	2.0
61.01155	2.2
61.02925	2.4
61.70327	1.3
65.03927	1.6
67.05508	21.6
68.05035	1.9
69.03431	9.8
69.07066	19.7
70.06593	100.0
71.05000	5.4
71.06918	3.0
71.08644	2.0
71.45279	1.5
72.04516	1.5
72.08154	20.8
74.02451	1.8
74.06082	12.6
76.63958	1.3
79.05497	16.6
81.03410	3.9
81.07051	40.1
82.06567	2.2
83.04983	6.0
83.08624	4.1
84.04499	4.7
84.08143	12.0
85.02909	26.8
85.06541	4.2
86.06059	3.8
86.09707	80.4
87.04491	2.1
87.10040	1.7
91.05486	7.6
93.07043	20.9
94.06566	1.5
95.04983	6.6
95.08601	34.8
96.08127	1.9
97.02887	7.8
97.06532	4.3
97.10190	2.7
98.09692	20.2
99.04459	3.3
99.08101	3.4
101.06025	1.6
102.05528	2.2
102.09206	4.6
104.05307	2.1
105.07027	4.9
107.08593	12.1
109.02914	4.1
109.06528	9.7
109.10148	7.5
110.06017	1.4
110.09679	3.4
111.08089	1.9
112.11282	2.5
113.10755	4.0
116.07067	2.0
119.04945	1.6
119.08578	3.3
120.05312	1.3
120.08094	20.0
121.02891	4.3
121.06549	2.6
121.10140	9.9
123.08080	3.4
123.11710	2.7
124.11227	3.7
125.09576	1.2
126.70235	1.4
127.03931	6.2
127.07595	2.8
128.10710	3.6
129.10229	5.4
132.10243	3.0
133.10120	2.9
135.11700	9.7
136.07567	10.1
139.93565	1.4
141.10229	7.8
142.12282	1.2
145.04985	5.0
149.02394	3.4
150.02609	2.0
151.06329	1.3
154.12241	2.0
166.05357	3.1
169.13365	12.5
172.13324	19.9
177.10291	3.0
177.12651	1.5
180.10199	40.5
184.13324	1.8
187.10835	2.3
189.12337	1.9
194.19049	47.0
195.10207	2.6
195.13899	1.6
195.19307	1.6
197.12894	8.1
205.09766	2.1
212.20087	64.6
213.11217	2.6
213.20427	1.7
215.13904	12.2
217.05000	1.6
223.10817	2.2
228.13795	1.3
229.15536	16.4
230.21152	77.5
231.21458	3.2
233.12958	10.5
236.19965	2.9
240.08795	1.9
244.10013	8.2
261.12619	22.7
272.22217	1.8
279.13757	13.7
280.14029	1.4
291.69315	1.9
295.05762	2.6
296.06418	2.1
308.06348	3.5
318.57639	1.3
320.25854	3.1
322.08072	2.2
328.22421	5.3
338.23215	3.2
346.07776	2.2
356.24066	3.4
356.27969	9.8
364.08847	3.3
365.09848	3.1
374.25238	6.9
374.29218	39.4
375.29626	1.4
392.08542	27.0
392.22021	7.7
392.26279	41.8
392.30188	24.4
393.09445	5.3
393.22031	2.1
393.30716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38557	0.6
51.30432	0.7
51.56445	0.7
55.05507	1.7
57.03435	4.0
58.45164	0.7
67.05504	4.2
69.07063	1.8
69.32645	3.6
70.06584	1.1
72.04498	1.5
72.08154	6.0
79.05486	2.9
81.07053	4.3
83.08589	1.1
84.08126	1.2
86.09694	1.7
91.05471	1.5
93.07043	1.6
95.04970	1.8
95.08599	2.6
97.06523	2.7
98.09697	15.7
98.23454	1.2
99.08102	1.8
105.03383	0.8
105.07037	1.1
107.04990	1.5
107.08550	1.1
113.09665	1.1
119.08588	1.0
121.06493	1.5
122.29307	0.8
123.04433	44.7
124.04739	1.5
125.09627	0.9
127.59559	0.6
128.10703	1.2
134.79834	0.8
135.04393	3.2
137.05968	1.1
142.12276	8.5
149.02306	2.0
149.05986	10.3
161.05963	2.7
163.07556	4.0
175.07512	1.7
191.89445	0.7
217.12267	1.7
222.28952	0.8
321.02701	0.7
321.07208	0.7
374.26834	4.1
392.27936	100.0
393.28174	8.2
415.84576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2794
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
52.81536	1.9
55.05501	4.0
57.03436	4.5
64.44339	2.0
67.05496	4.2
67.18705	1.8
72.08149	7.7
72.33791	2.0
79.05499	3.2
83.04951	2.1
84.08157	2.1
93.07069	2.5
95.04998	2.6
95.08599	3.6
97.06522	3.1
98.09680	11.3
113.63286	2.0
123.04425	19.5
142.12286	4.5
144.10265	3.8
149.02380	8.5
149.06023	6.0
150.02707	2.4
163.07552	2.2
238.73021	1.9
361.83447	2.3
374.26895	5.5
392.27988	100.0
393.28357	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	392.2797
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
53.03952	0.8
55.01871	0.8
55.05513	1.8
56.05032	1.7
57.03440	4.7
58.06568	0.5
60.73513	0.5
67.05508	5.3
69.03439	0.5
69.07072	4.5
70.06608	1.4
71.04966	0.7
72.04515	0.9
72.08158	9.4
77.03913	0.8
79.05500	6.3
81.03394	0.7
81.07061	7.7
83.04982	0.9
84.08155	1.8
85.06543	2.4
85.08890	1.0
86.09706	4.3
87.45611	0.5
90.90548	0.5
91.05487	15.1
93.07053	4.6
95.05005	1.3
95.08619	4.2
96.08150	1.0
97.06535	5.1
98.09701	19.2
98.23533	1.1
99.08120	3.9
102.09147	0.6
105.03390	3.2
105.07035	3.1
107.04958	11.1
107.08607	2.2
109.06583	0.5
109.10198	0.8
111.08099	0.5
111.27728	0.5
113.09644	0.8
114.09181	0.7
117.07027	3.0
119.08602	1.6
120.08128	2.0
121.02947	0.9
121.06518	1.2
121.10113	1.1
123.04438	6.5
123.08035	0.7
124.11285	1.0
128.10776	1.2
129.07010	4.0
131.04935	6.3
131.08553	1.1
133.06493	2.6
133.10129	1.5
141.07010	1.7
142.12283	8.8
143.08562	1.6
145.06519	2.2
147.08026	0.6
149.06010	1.6
151.11145	0.8
155.08528	1.1
156.13857	3.1
157.06514	2.3
157.10052	0.9
159.11743	0.7
163.07576	6.0
167.08575	0.9
169.10156	1.2
171.08052	1.1
171.11769	0.6
173.09657	1.3
181.10178	1.6
195.13855	1.2
197.13292	0.7
199.11185	2.7
233.16475	1.0
332.25400	1.1
356.25842	1.2
367.65671	0.6
374.22540	0.9
374.26947	12.3
375.27283	1.5
392.27972	100.0
393.18839	0.8
393.23535	0.8
393.28387	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	392.2795
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
53.03927	1.2
55.01846	1.1
55.05492	1.8
57.03443	10.0
58.06586	1.4
60.08145	2.1
60.10731	0.5
62.05775	0.5
62.06080	3.4
67.05508	6.6
69.06755	0.6
69.07067	6.0
70.06572	1.4
71.04968	1.9
72.08154	15.1
77.03917	0.9
79.05499	9.3
81.07056	15.8
83.04957	0.9
83.08591	0.9
84.08134	1.2
85.06525	1.2
86.09701	0.5
87.59973	0.5
91.05479	18.1
92.05791	0.6
93.07041	7.0
95.04415	0.8
95.04966	9.0
95.08047	0.6
95.08606	9.1
97.06535	9.7
97.10104	0.6
98.09706	5.4
99.07563	0.5
99.08099	5.7
100.07516	0.6
105.03394	59.2
105.04510	2.6
105.07021	4.0
105.38343	0.6
106.03714	1.3
107.04949	10.0
107.08604	4.0
108.08083	0.6
109.06515	1.2
109.10139	1.1
110.09668	0.8
111.08051	0.7
113.09611	1.9
115.05419	1.8
115.07527	1.6
117.07014	13.7
119.08570	4.3
121.06445	0.8
121.10107	2.5
123.04417	4.2
129.06979	3.6
131.08583	2.9
133.06502	6.2
133.10133	3.5
135.11647	1.7
141.06979	3.9
142.12201	0.8
143.08498	1.7
145.06438	0.7
145.10120	5.0
147.08052	6.1
147.11632	1.4
149.02324	0.8
149.05927	0.8
150.02644	0.6
151.11140	0.9
155.08519	2.4
156.13843	1.6
157.10114	2.7
159.11646	1.0
161.09558	2.4
169.10080	1.1
170.11722	0.8
171.11685	1.4
173.13203	1.0
175.14799	3.3
181.10089	0.8
183.11661	2.0
189.12648	0.7
201.12636	1.3
217.15944	0.9
219.13789	6.3
233.15117	0.8
244.91991	0.6
313.21494	1.2
314.44269	0.6
325.57971	0.7
332.24887	0.8
356.25656	1.4
356.29672	0.6
374.26865	15.3
392.27710	100.0
392.31577	10.5
393.23206	1.1
393.28064	8.5
393.32028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2099
Annotation	Phe Asn Leu
Peak:m/z	Relative Intensity
50.58589	0.3
55.01857	0.4
55.05497	1.1
56.05031	1.1
58.92527	0.3
64.92815	0.3
65.95107	0.3
69.07076	0.3
69.59026	1.4
70.06583	1.8
72.08151	9.9
81.07060	1.5
83.06110	0.5
84.04495	2.2
84.08140	1.3
85.02901	0.5
86.09708	2.2
91.05466	0.7
92.16074	0.3
93.45804	0.3
94.06590	0.3
95.08620	0.5
98.22713	0.6
102.05558	1.7
105.07033	0.4
109.06509	0.8
111.04401	0.5
118.08667	1.3
120.08102	12.9
129.10246	1.2
137.04993	0.3
137.05965	9.4
138.09167	1.0
143.11797	0.7
147.06245	0.3
149.68233	0.3
151.11177	0.3
156.10162	0.3
166.08624	4.2
171.11263	0.4
179.10696	1.7
182.12917	0.5
183.11311	1.9
186.09152	0.5
196.17029	0.6
197.11719	9.0
201.12291	2.1
210.12633	0.3
211.10748	0.7
214.18068	0.5
216.08812	1.4
217.13919	0.4
223.10805	0.9
228.13350	0.5
229.11867	1.2
231.02858	0.5
231.11238	0.8
232.19058	0.6
233.16556	0.7
240.08763	0.7
246.13362	0.7
249.12207	0.6
300.10760	0.7
315.09906	0.4
343.09320	0.4
375.11856	1.2
375.20239	0.7
375.29294	0.5
393.20911	100.0
394.21262	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.48363	0.7
55.05508	7.4
56.05037	5.0
67.05495	0.9
69.03419	1.4
69.07057	2.6
69.58814	3.6
70.06595	12.6
71.06921	1.2
72.08156	86.3
81.07072	1.2
83.06104	37.7
84.04504	34.4
84.05011	1.9
84.08143	6.9
84.44687	0.8
85.02908	1.1
86.09707	37.1
87.10052	1.7
91.05489	1.7
93.07052	2.2
95.08582	1.2
101.07143	8.4
103.05470	3.4
104.05359	0.8
105.07026	1.1
107.04958	1.1
107.08601	1.4
109.10138	1.8
110.07146	1.2
110.09682	3.0
111.04294	0.8
116.07114	3.8
117.07413	1.0
117.10240	3.8
118.08681	3.7
119.04977	1.0
120.08104	100.0
121.02860	1.0
121.08426	2.9
129.06586	3.4
129.10226	4.9
131.04930	1.4
132.10150	1.7
133.10152	1.0
135.04445	0.9
136.07607	3.8
138.09142	19.6
147.04445	0.8
149.05981	1.5
151.62610	0.7
155.11778	7.6
157.09808	1.3
165.05492	1.8
166.08640	48.9
167.09114	1.0
177.10278	1.5
182.08241	1.4
182.12889	38.6
183.09659	1.8
183.11293	35.9
184.11560	1.4
185.09348	1.0
185.16504	12.4
186.09160	2.3
189.12343	1.1
194.08286	0.7
197.11688	1.1
200.13950	21.8
202.52525	0.8
203.05377	0.9
205.09706	2.0
210.12386	16.9
211.10748	4.5
213.15970	6.8
213.83636	0.7
215.12671	0.8
227.08199	1.0
228.13429	17.9
230.12869	2.5
231.11270	2.6
233.16495	7.9
237.12354	1.2
248.13834	1.3
255.11333	2.3
258.12271	1.0
261.16071	2.6
265.15616	1.7
273.12512	1.7
276.13412	2.6
281.11490	3.6
281.14429	0.9
324.97864	0.8
375.20297	24.1
375.29388	1.5
376.20142	2.7
383.82288	0.7
393.09607	0.9
393.20346	5.1
393.25494	1.4
393.30496	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.2
57.03437	4.6
57.07077	36.6
58.07427	0.6
67.05167	0.8
67.05507	13.2
67.39961	0.6
69.07070	6.5
69.73399	1.9
71.08633	26.6
77.53931	0.6
79.05512	0.9
81.07057	18.0
83.08621	10.8
85.10181	14.7
89.06026	4.3
93.07045	1.1
95.08607	23.7
97.10183	5.6
98.98467	64.7
99.11733	1.4
109.10155	9.9
110.18325	0.6
111.11653	1.3
116.99495	0.9
121.00677	0.5
123.11708	5.8
125.00021	0.9
125.13245	0.9
133.08627	1.8
137.13187	2.8
138.32845	0.5
140.01164	0.6
151.14793	0.8
155.01039	100.0
156.01389	1.1
195.12355	4.8
196.03735	1.4
221.22675	1.3
239.23726	9.7
304.26413	0.7
334.77731	0.7
376.25919	0.7
393.24075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
57.03433	5.7
57.07076	35.8
58.07383	0.8
61.83999	0.4
67.05505	12.2
69.07076	7.9
69.21186	0.4
69.43542	2.2
71.08633	24.8
72.08963	0.6
73.33050	0.4
73.96149	0.4
77.48750	0.4
79.05488	1.5
81.07059	17.1
83.08624	12.2
85.06544	0.7
85.10184	14.1
86.10530	0.6
89.06030	7.4
93.07038	1.3
95.08610	25.7
96.08950	0.8
97.10171	5.0
98.98469	63.4
99.11754	0.8
105.07061	0.7
109.10160	11.0
111.11703	1.2
113.13339	0.6
116.99500	1.6
119.08601	0.8
123.11713	4.9
125.13254	1.5
133.08609	1.7
137.13232	2.1
139.14833	0.5
139.61613	0.4
140.01082	0.6
151.09595	0.7
151.14763	0.9
155.01041	100.0
156.01361	1.1
165.16396	1.1
195.12289	7.2
196.03693	1.4
212.80194	0.4
221.22563	0.9
238.03526	0.5
239.23682	9.2
240.23944	1.0
320.98965	0.5
335.70901	0.5
376.25787	1.3
377.32233	0.6
386.27347	0.4
393.23785	1.2
393.28787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2499
Annotation	Lys Val Phe
Peak:m/z	Relative Intensity
55.05513	2.1
56.05032	3.5
56.96590	0.4
57.05820	0.3
60.04525	0.5
67.05498	0.8
69.07070	0.6
70.03519	0.7
70.06231	0.5
70.06596	6.9
71.05019	0.3
71.06915	0.4
72.08157	14.0
79.05492	0.3
82.06570	0.5
84.04504	1.3
84.08143	100.0
85.02920	0.6
85.06538	1.3
85.08471	1.7
86.06059	0.4
86.09713	5.4
86.53556	0.3
87.10033	0.4
91.05518	0.5
96.19740	0.3
98.22827	0.5
98.97582	1.4
101.10788	5.2
101.84650	0.3
102.05547	0.5
102.09167	0.6
107.08601	0.4
110.07150	0.7
111.09221	0.9
112.07621	0.7
112.08721	0.7
112.11224	0.5
115.08670	0.4
116.07102	0.9
116.98592	0.5
120.08100	8.1
121.08437	0.4
123.04465	0.4
127.08694	0.8
129.10242	72.2
130.08696	0.3
130.10611	1.9
133.06079	0.3
136.07529	0.4
138.12776	3.2
148.06113	0.4
155.15569	0.4
165.14014	0.4
166.08658	1.8
166.81735	0.4
168.13864	0.9
171.06949	0.3
177.00768	0.6
183.11407	0.6
183.14926	6.7
189.04395	0.5
200.17639	1.0
201.12296	0.8
210.15984	2.4
211.14406	1.7
219.14995	0.8
227.08321	0.4
228.10236	0.3
228.17087	9.4
228.19284	0.6
229.17487	0.5
231.15002	0.4
233.16618	0.7
240.14502	0.3
246.18199	1.1
247.14629	0.4
255.11336	0.5
261.15829	0.4
265.15479	3.4
351.12604	0.6
376.22406	0.9
393.21317	1.7
393.25101	25.4
394.25531	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	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.8
57.06821	1.1
57.07077	15.1
58.07401	2.9
69.95506	1.4
80.94862	1.7
98.97514	0.7
105.03315	0.8
105.09277	0.6
122.78530	0.6
188.42528	0.6
207.11391	1.6
208.11610	1.5
224.13943	1.3
225.14305	0.7
239.53348	0.7
242.11378	1.0
259.12088	0.7
308.19760	2.1
309.19980	7.8
352.18832	0.8
370.19788	2.2
375.24612	7.1
376.25891	1.8
393.26047	100.0
394.26389	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20248	0.3
54.21587	0.3
59.25780	0.3
59.33291	0.4
69.69001	1.4
85.54511	0.4
87.08981	0.4
94.65691	0.4
100.12612	0.4
131.52353	0.4
149.92493	0.4
180.77121	0.3
231.95020	0.4
257.83215	0.4
288.84988	0.5
308.96893	0.4
317.17831	0.4
335.18842	0.9
357.17535	0.6
373.24863	0.5
375.13696	5.7
376.26105	0.6
393.15833	2.2
393.26099	100.0
394.21429	0.6
394.26474	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	393.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66530	0.4
70.61971	0.9
80.94844	1.4
81.07069	0.7
95.04974	0.6
97.69183	0.4
155.00920	0.5
164.92085	0.8
299.20114	0.6
333.17767	0.6
351.18631	0.5
376.26083	0.8
393.26096	100.0
394.26465	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	393.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51332	1.6
55.78990	1.5
57.00321	1.5
57.07075	3.2
67.91714	1.8
70.74696	2.4
77.82384	1.5
80.94838	5.0
98.98438	1.8
289.51514	1.7
347.09653	1.8
376.26053	5.4
393.26108	100.0
394.26520	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50324	0.3
62.47380	0.3
65.89350	0.3
66.18990	0.3
70.14971	0.6
70.15314	0.4
80.94846	0.5
83.21692	0.3
98.23478	0.3
132.33157	0.3
134.73799	0.3
260.65912	0.3
306.03281	0.4
306.99689	0.3
357.19727	0.3
370.19986	0.5
393.26096	100.0
394.26480	7.4
406.87048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79378	0.5
55.05503	2.1
57.03429	1.0
57.07081	7.9
63.49333	0.6
67.05505	2.8
69.07066	1.8
69.32432	3.1
71.08628	4.9
79.05448	0.6
81.07056	4.1
83.08628	1.6
85.10182	2.4
88.81519	0.6
95.08600	4.8
97.10175	1.4
98.98466	13.3
105.07030	1.0
109.10163	3.1
123.11697	1.2
140.72736	0.6
155.01039	22.0
182.15230	0.7
196.58635	0.6
239.23630	1.8
376.25912	1.3
393.26089	100.0
394.26538	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80744	1.0
70.32526	1.6
70.32877	1.7
80.14607	1.1
80.94845	4.9
98.23360	1.6
118.34026	1.1
155.01091	1.2
167.13893	1.2
195.10039	1.1
304.44284	1.2
376.25851	5.1
393.26102	100.0
393.36520	3.2
394.26620	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01867	2.5
55.05513	20.9
57.03436	2.4
57.07076	23.0
58.94661	1.6
59.04994	1.8
65.03942	4.9
67.05157	2.7
67.05505	36.1
69.03424	4.2
69.07070	19.8
69.33174	1.8
69.33974	10.0
71.04987	3.0
71.08621	8.2
77.03922	2.4
79.05492	40.1
81.07056	60.2
83.04971	5.1
83.08602	9.8
85.06543	3.5
85.10181	4.8
86.38858	1.6
89.06020	6.3
89.58035	1.8
91.05476	60.6
92.05782	1.8
92.93697	1.9
93.07044	86.6
94.07352	2.5
95.04971	69.8
95.08604	54.6
95.09217	3.2
96.08905	2.0
96.41233	1.8
97.06512	9.3
98.22734	3.7
98.98470	13.4
103.05446	5.6
105.04510	7.6
105.07028	100.0
106.07328	3.3
107.08595	56.8
109.06509	15.1
109.10159	30.7
115.05395	4.0
116.06266	1.8
117.07012	18.8
119.04897	2.2
119.08577	93.0
120.08917	3.9
121.06519	19.6
121.09272	3.0
121.10134	39.6
122.10484	2.1
123.08073	3.4
123.11705	12.8
128.06209	8.6
129.06979	15.9
130.07808	10.5
131.08562	41.6
133.06456	2.2
133.10126	59.6
135.08018	8.6
135.11702	23.6
137.09599	4.9
139.11226	2.1
141.07010	7.2
142.07770	25.3
143.08569	32.7
144.09355	10.0
145.10123	74.0
146.10634	2.0
147.08055	3.9
147.11673	22.1
148.11942	2.6
149.09666	3.3
149.13260	5.7
154.07729	3.0
155.01035	20.6
155.08533	12.2
156.09334	14.2
157.10117	55.7
158.10786	6.5
159.08054	5.8
159.11690	45.5
160.12480	2.8
161.09628	17.2
161.13232	7.5
163.11179	6.1
163.14876	1.9
165.07011	4.2
166.07748	3.1
167.08537	6.5
168.09311	4.5
169.10132	23.2
170.10867	7.4
171.11697	24.1
172.08745	2.2
172.12334	3.3
173.09599	6.0
173.13268	21.2
175.11212	9.2
175.14824	15.2
179.08517	8.1
180.09254	3.7
181.10086	9.6
182.10905	4.9
183.11678	19.0
184.12373	2.4
185.13264	12.8
186.13852	2.1
187.11183	8.3
187.14833	9.1
189.12933	1.9
192.09383	2.1
193.10147	8.3
194.10930	6.5
195.11714	12.5
196.12497	3.0
197.13301	15.7
198.13898	2.2
199.11209	2.2
199.14824	7.4
201.12730	4.4
201.16371	7.6
206.10934	3.2
207.11667	6.9
208.12477	2.5
209.13309	16.0
209.15083	3.0
210.13959	2.0
211.14751	10.6
213.16371	5.9
221.13161	4.0
223.14799	6.8
225.16338	6.4
227.14313	3.5
233.13335	2.0
235.14786	4.1
237.16298	3.5
239.14400	2.8
239.18010	2.3
241.19415	2.2
251.17821	2.8
253.15837	6.4
265.19412	5.9
266.20279	2.9
281.18900	2.1
283.20685	2.2
304.26221	2.9
375.26913	3.9
376.26068	2.2
377.32651	4.1
393.28073	8.9
393.32568	2.2
400.55426	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	394.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.6
61.15128	3.6
65.03924	4.8
65.76956	3.6
69.66016	3.7
74.27656	4.4
79.05503	7.0
86.09707	28.9
88.03970	7.9
91.05477	42.8
93.07050	4.8
93.19217	3.7
96.08115	7.6
103.05489	29.2
105.03407	7.6
105.07028	14.9
107.04938	8.9
109.06535	9.6
119.04945	61.8
120.08115	14.5
121.06503	6.1
131.04935	48.6
133.06519	13.7
137.05971	100.0
138.06335	4.3
141.10254	7.0
145.06583	4.8
147.04416	30.2
147.36440	3.8
149.05981	14.4
150.06676	4.3
151.07527	36.5
154.21222	4.6
156.10214	11.3
159.08000	5.0
161.05969	43.4
162.06732	17.0
163.07539	17.0
166.08617	7.6
175.07547	24.3
179.07018	40.3
187.07550	13.7
191.08684	4.3
193.08646	9.3
201.12334	47.6
205.08669	19.8
219.08165	4.0
229.11743	7.2
247.07471	4.7
251.10834	6.1
305.07932	4.6
309.11218	16.6
311.12729	11.8
319.09720	7.3
341.13797	5.0
382.09525	3.7
394.25629	9.8
394.34695	4.5
395.11182	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	394.1975
Annotation	Asp Ile Phe
Peak:m/z	Relative Intensity
57.03423	0.7
69.07059	2.1
69.23631	3.0
69.94190	0.5
70.02940	1.6
70.06580	1.2
72.08166	1.1
73.02924	4.7
78.22224	0.5
79.05502	1.0
81.07045	0.9
84.08143	1.0
85.04021	1.6
86.09708	65.3
87.10032	1.1
88.03992	9.9
89.41989	0.6
91.05481	1.5
93.07054	1.4
95.04993	1.1
95.08591	0.6
96.04505	0.8
96.08128	4.2
96.79945	0.6
97.42429	0.6
98.02432	4.5
98.09682	0.9
100.03984	5.4
102.54470	0.6
103.05460	2.2
105.06995	0.9
107.04943	0.6
109.10234	0.6
110.02364	0.6
113.06023	0.6
113.10759	2.7
115.04997	0.6
117.06998	0.7
120.08106	41.7
121.08443	1.5
123.04427	0.8
126.92489	0.6
130.06526	1.0
131.04968	0.6
138.09145	5.7
141.09114	0.8
141.10211	11.2
142.08636	0.8
142.12186	0.7
144.08081	0.7
149.06010	0.7
155.11771	1.2
156.10205	12.9
157.10303	0.6
159.80194	0.6
166.08638	18.1
175.08759	0.7
183.11298	6.8
184.09702	2.7
192.08501	0.8
197.15453	1.1
201.12344	100.0
202.12616	3.1
229.11848	23.8
235.10782	5.2
261.39389	0.5
263.10367	1.0
279.17160	1.7
281.24063	0.6
299.98492	0.6
317.46951	0.5
320.10153	0.6
358.23718	0.9
376.24762	2.4
393.28360	0.9
394.14285	1.2
394.25131	4.5
394.30020	1.6
395.11075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1977
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
52.04133	0.4
55.01872	0.7
55.05504	0.6
55.46893	0.4
56.05023	1.2
57.03445	0.7
58.06604	0.6
61.01159	0.5
65.73566	0.4
67.05515	0.8
69.03426	0.4
69.07069	1.2
70.02954	2.7
70.06591	1.9
71.04992	0.5
71.44276	0.4
72.08151	1.8
73.58893	0.3
79.05482	1.2
81.03445	0.6
81.07058	0.9
82.06557	0.5
82.64493	0.4
84.08137	1.2
85.02918	0.9
86.09709	17.4
87.10039	0.7
88.03996	8.9
91.05486	10.6
93.07040	2.3
93.63315	0.4
94.06549	0.5
95.04955	0.8
95.08611	0.8
96.08109	0.5
97.06536	0.6
98.02417	3.5
98.09679	1.0
100.07594	0.4
103.05459	3.0
104.05347	1.0
105.07028	1.1
107.04937	0.7
109.06531	0.6
109.10140	0.4
110.09694	0.6
117.06975	0.4
119.07313	1.6
120.08109	100.0
121.06545	0.5
121.08439	2.7
121.10133	0.4
126.76044	0.4
127.03954	0.5
128.10760	0.6
129.07008	0.5
130.06534	26.6
131.06891	0.6
131.08578	0.9
132.08087	0.8
132.10217	4.9
133.06538	0.6
142.12253	1.0
143.98883	0.4
144.08078	6.3
145.06502	0.6
145.10182	1.1
146.09576	0.4
147.09184	1.5
148.07683	0.5
157.06364	0.5
158.09981	0.6
159.11716	0.6
161.28322	0.5
163.11211	0.9
164.07376	1.2
172.06245	0.7
172.07588	8.0
175.08675	19.5
176.07104	1.0
176.09084	0.4
182.06030	0.5
187.24887	0.4
189.10168	0.5
190.08629	8.9
197.15334	1.0
200.07088	1.1
201.12343	1.4
203.12100	0.9
205.12140	0.5
215.10651	0.6
215.12540	0.5
217.09723	6.0
218.08090	2.4
227.91219	0.4
235.10779	92.8
236.11124	3.2
245.09210	1.8
263.10266	17.3
263.13013	0.9
264.10583	1.1
279.17181	2.5
303.82355	0.4
319.09683	0.7
330.18161	0.8
358.23962	0.7
359.16214	0.5
376.25098	2.6
394.21317	0.9
394.25775	8.2
394.29645	0.5
395.11282	1.9
395.16489	0.8
395.26465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05511	7.6
56.05041	2.4
57.03434	3.9
57.07090	2.3
58.06598	1.9
67.05502	25.6
69.03452	2.3
69.07077	5.9
69.33721	2.8
70.06593	1.7
71.05008	3.2
72.08151	10.9
79.05500	6.6
81.07054	53.2
82.07397	1.5
83.04987	1.6
83.08622	3.3
84.08156	2.4
85.02906	6.6
85.06553	2.5
86.09731	1.5
91.05479	10.0
93.07044	6.3
95.04989	3.7
95.08603	39.2
96.08945	1.2
97.02931	1.0
97.06559	4.7
97.10191	2.4
98.09700	11.7
99.08115	2.6
105.03396	6.5
105.07046	6.2
107.04995	2.1
107.08630	3.7
109.06508	1.6
109.10165	4.6
111.08078	1.5
117.07050	2.8
119.08582	6.9
120.08137	3.4
121.10162	3.2
123.04420	12.9
124.04790	0.9
128.10744	1.3
129.07007	1.3
131.08580	1.7
133.06575	1.7
133.10115	4.8
135.11676	10.3
137.09688	1.3
137.13251	78.3
138.13579	2.1
142.12318	3.2
147.08080	1.6
149.06003	2.6
151.14839	1.7
153.05495	1.5
156.13863	2.8
159.08113	1.2
161.13266	14.0
163.07605	2.2
179.14307	15.5
187.14474	1.2
196.56932	1.1
197.15346	11.4
203.19664	1.1
215.16417	100.0
216.16862	5.5
228.33423	0.9
319.09402	1.0
320.10394	1.3
358.23621	1.7
358.27567	2.9
376.24661	2.5
376.28622	10.0
394.29660	54.6
395.11407	3.0
395.25116	1.2
395.30002	4.0
405.32584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.259
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
52.55780	1.1
54.18485	1.2
55.05506	2.3
56.05023	2.7
58.06584	5.3
67.05496	3.3
69.07066	1.6
70.06577	2.3
72.08146	2.6
81.07029	4.3
84.08143	15.4
95.08604	2.5
107.04823	1.3
110.09701	1.6
121.02976	1.4
138.12721	1.7
205.70457	1.6
304.26224	1.4
319.09610	6.3
320.10446	2.2
332.25745	13.3
336.09747	1.7
347.09128	1.3
351.12222	2.1
365.10251	2.3
376.20291	1.8
376.24799	28.5
377.25235	2.0
394.25781	100.0
395.11182	13.0
395.26117	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	394.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.05511	1.6
56.05027	1.1
57.03436	6.1
65.03946	0.6
67.05509	6.9
68.05838	0.5
69.07071	4.8
70.06601	0.5
71.04990	0.8
72.04506	1.1
72.08154	5.0
77.34354	0.4
79.05491	3.4
81.07051	8.5
83.04966	0.5
83.08607	1.0
84.08142	1.0
85.06561	0.6
91.05484	0.9
93.07043	2.5
95.04964	1.8
95.08596	5.9
97.06536	3.9
97.10152	0.7
98.09690	15.4
99.08095	3.7
99.10020	0.5
100.11284	0.4
102.09167	0.6
102.10351	0.4
107.04948	1.3
107.08579	1.6
109.10151	1.7
111.08059	0.6
112.11230	0.7
113.09629	2.3
121.06520	1.0
121.10130	1.0
123.04424	49.2
124.04770	1.3
124.11222	1.0
125.09674	0.6
126.62096	0.5
135.04422	0.7
135.08063	1.5
135.11697	1.3
137.05991	1.3
137.13263	1.9
142.12267	8.0
149.05977	7.4
149.13235	0.5
161.05977	0.8
163.07538	14.9
164.07886	0.7
175.07570	0.8
177.09189	0.8
215.16423	2.2
319.09647	1.5
319.44086	0.4
320.10391	0.8
324.94006	0.4
328.92130	0.4
331.22723	0.7
336.10098	0.9
347.09039	0.4
351.12439	0.4
358.27789	0.5
376.24744	0.7
376.28543	4.2
394.29538	100.0
395.11288	4.1
395.29849	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	394.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.05511	1.6
56.05027	1.1
57.03436	6.1
65.03946	0.6
67.05509	6.9
68.05838	0.5
69.07071	4.8
70.06601	0.5
71.04990	0.8
72.04506	1.1
72.08154	5.0
77.34354	0.4
79.05491	3.4
81.07051	8.5
83.04966	0.5
83.08607	1.0
84.08142	1.0
85.06561	0.6
91.05484	0.9
93.07043	2.5
95.04964	1.8
95.08596	5.9
97.06536	3.9
97.10152	0.7
98.09690	15.4
99.08095	3.7
99.10020	0.5
100.11284	0.4
102.09167	0.6
102.10351	0.4
107.04948	1.3
107.08579	1.6
109.10151	1.7
111.08059	0.6
112.11230	0.7
113.09629	2.3
121.06520	1.0
121.10130	1.0
123.04424	49.2
124.04770	1.3
124.11222	1.0
125.09674	0.6
126.62096	0.5
135.04422	0.7
135.08063	1.5
135.11697	1.3
137.05991	1.3
137.13263	1.9
142.12267	8.0
149.05977	7.4
149.13235	0.5
161.05977	0.8
163.07538	14.9
164.07886	0.7
175.07570	0.8
177.09189	0.8
215.16423	2.2
319.09647	1.5
319.44086	0.4
320.10391	0.8
324.94006	0.4
328.92130	0.4
331.22723	0.7
336.10098	0.9
347.09039	0.4
351.12439	0.4
358.27789	0.5
376.24744	0.7
376.28543	4.2
394.29538	100.0
395.11288	4.1
395.29849	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	394.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20992	0.5
50.47916	0.5
55.01865	1.4
55.05507	2.8
56.05039	2.7
57.03439	6.7
57.07065	0.4
58.06596	0.6
59.05005	0.8
62.06089	0.7
65.03947	0.7
66.13531	0.4
67.05498	4.9
69.07079	3.8
69.22346	2.7
70.06589	2.0
71.04984	1.8
72.04521	0.5
72.08154	10.1
79.05496	4.4
81.07055	6.9
83.04967	0.9
83.08616	1.6
84.08127	1.2
85.06538	1.5
86.09715	1.5
91.05479	7.4
93.07023	3.1
95.04964	2.0
95.08614	3.8
97.06546	3.0
97.10183	0.6
98.09693	41.8
99.08102	2.5
99.10046	1.5
102.09192	0.9
103.05457	1.5
105.03399	0.8
105.07024	1.7
107.04952	7.9
107.08588	0.6
109.06517	0.7
109.10175	1.5
110.09681	0.7
111.08090	5.7
113.06011	0.5
113.09653	1.2
114.84828	0.5
115.05446	1.4
115.07568	0.5
117.07025	7.2
118.06553	1.0
119.08595	0.7
120.08100	23.5
121.06474	0.6
121.08425	1.1
121.10205	0.8
123.03532	1.0
123.04427	20.0
123.08104	0.5
124.04757	0.8
124.11228	0.6
125.09711	0.6
128.06241	0.9
129.06995	2.8
129.09131	0.7
130.06529	5.0
131.04932	1.4
131.08566	2.0
132.08092	11.5
133.06482	2.7
137.06018	0.5
138.12827	0.6
141.06961	0.6
142.06522	2.0
142.12292	4.6
143.08557	3.7
145.06480	1.8
146.05988	0.6
147.08052	3.1
149.06032	2.5
156.13840	25.6
157.14197	1.6
158.08408	0.7
159.09177	46.6
160.07587	1.9
160.09523	2.5
161.09619	0.7
163.07530	3.6
166.08630	13.5
167.08986	0.8
169.07617	4.9
170.06021	7.2
170.11726	1.1
171.11755	0.6
173.09735	0.6
183.09183	1.7
183.11758	0.7
184.07579	1.1
185.13245	0.7
187.08688	10.9
188.07141	0.6
188.08965	0.6
190.71719	0.4
201.10229	31.0
202.10539	2.1
211.08685	1.9
228.55949	0.5
229.09744	16.4
230.10057	1.6
347.09406	0.8
352.43097	0.5
358.27481	0.9
376.28461	13.6
377.28613	1.0
394.29550	100.0
395.11469	2.2
395.24673	0.9
395.29819	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	394.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05507	3.2
56.05036	3.6
57.03440	3.5
58.06594	2.4
59.04998	1.7
66.21393	0.6
67.05493	3.1
69.03440	0.9
69.07057	3.0
69.67137	1.4
69.67484	1.3
70.06589	2.8
71.04987	5.2
71.07362	0.8
72.04520	1.0
72.07787	1.2
72.08160	15.2
72.59461	0.6
79.04366	0.5
79.05492	2.3
81.07063	4.7
82.06560	1.1
83.04988	1.3
83.08619	3.5
84.08126	1.7
85.06538	1.9
85.31526	0.6
86.09700	3.3
91.05489	4.6
93.07050	2.5
95.04987	4.0
95.08577	3.4
96.08142	2.4
97.06526	1.3
98.09695	100.0
99.08091	0.7
99.10037	2.5
100.07586	0.8
102.09167	2.2
105.07011	1.8
106.24920	0.7
107.04949	12.5
107.08610	1.5
109.06532	1.2
109.10172	0.8
110.09686	2.8
111.08076	8.8
113.05998	2.0
114.09173	8.5
115.36147	0.6
116.80634	0.7
117.07020	2.8
119.08605	1.2
123.04432	3.7
124.11233	1.1
129.06953	1.2
129.09131	1.4
131.08594	1.3
133.06499	5.4
133.09958	0.7
138.12799	1.4
140.10657	0.7
142.12311	0.9
143.08549	1.2
144.10210	3.2
145.06505	1.3
147.08035	5.5
149.05927	0.8
156.13841	79.8
157.14233	3.5
158.11789	1.4
159.08098	1.0
161.09656	0.7
170.11794	1.7
174.14925	1.6
197.15475	0.6
230.27351	0.7
267.07266	0.9
305.08304	0.9
319.09753	1.8
347.09039	0.8
358.27637	3.5
376.24667	3.9
376.28616	28.6
377.28867	2.4
394.29614	63.6
395.11472	4.0
395.15823	0.9
395.20575	2.5
395.29718	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	394.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06656	0.4
55.05515	1.4
56.05035	1.1
57.03436	1.3
58.06608	1.1
58.59123	0.4
59.04996	0.5
65.70905	0.4
67.05502	1.0
69.03410	0.7
69.07071	0.5
69.64063	0.5
69.64403	1.5
70.06588	3.9
71.01347	0.5
71.04985	0.8
71.07371	1.6
72.08156	100.0
73.08488	1.0
79.05495	1.4
81.07061	3.1
83.04986	6.6
84.08143	1.7
86.09707	12.0
87.04488	0.8
87.10035	0.4
88.46120	0.4
91.05480	5.7
93.07038	0.7
95.04976	0.6
95.08631	0.9
96.08138	0.4
97.06535	0.5
98.09694	6.8
99.08118	1.0
100.07629	1.2
102.09184	5.3
105.07044	0.6
107.04945	1.0
109.06512	2.4
110.09718	0.7
111.04433	0.4
114.09172	3.2
117.07033	2.8
125.05994	0.5
127.07558	1.3
128.86365	0.4
129.07025	1.0
131.08546	3.5
132.10202	6.9
132.11107	0.6
143.08559	1.0
145.10112	0.6
154.12227	2.1
156.10365	0.4
163.11293	0.4
172.13326	40.9
173.13673	0.6
190.14433	1.7
227.12502	0.4
247.78813	0.4
270.83276	0.5
319.09488	0.5
320.10458	0.6
358.27368	3.1
376.24548	0.3
376.28448	18.9
377.28857	1.4
394.29535	35.3
395.11169	2.7
395.29962	2.5
398.00775	0.4
398.17307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40813	3.5
55.05497	4.3
57.07076	100.0
69.07068	7.0
70.63952	7.4
71.08269	6.2
71.08632	78.5
80.94872	4.1
81.07051	4.5
84.53466	3.3
85.10188	47.1
89.06033	81.7
93.11369	3.6
95.08599	5.5
98.69566	3.7
98.98476	14.1
99.63520	3.9
107.07077	6.2
113.13325	5.5
115.44833	3.6
133.08618	41.4
151.09691	7.1
151.99165	4.1
155.01054	23.8
156.01328	7.5
166.71568	3.7
177.11240	14.3
195.12286	96.9
238.62340	4.5
257.80298	4.1
319.09677	8.6
336.10120	4.1
377.32620	64.6
395.11133	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87151	1.7
68.74001	1.6
69.26678	1.7
69.92496	6.2
85.57269	1.8
161.64874	2.0
172.52287	2.1
176.45949	2.0
185.04248	4.7
210.47342	1.9
219.08054	2.6
232.06908	13.0
233.07861	7.4
235.07631	2.5
247.07561	5.5
248.08195	3.0
257.08139	2.0
259.07831	1.8
260.08319	2.9
262.06448	2.7
262.09424	2.5
263.07080	4.1
265.08459	2.3
275.06873	3.7
277.08572	2.8
278.09265	3.6
289.05441	2.1
289.08600	2.4
290.09384	2.7
291.06546	4.3
291.10062	2.0
293.11670	3.7
303.06387	2.7
304.07312	9.0
305.08096	5.5
306.08820	4.4
314.60693	2.4
319.09589	23.1
320.10339	10.6
321.11093	5.8
332.06772	6.1
334.08368	2.2
335.09018	3.5
336.09827	10.3
347.09155	11.5
351.12238	7.2
365.10184	8.4
377.10043	3.3
395.13165	100.0
396.13062	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	395.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.6
56.16475	1.6
57.03425	2.8
59.04999	1.9
67.05499	5.2
69.03417	3.5
69.07082	4.8
70.06573	4.1
71.44921	1.6
72.08141	9.2
79.05500	7.5
81.07063	8.4
83.04986	3.1
83.08608	3.3
85.06560	1.6
91.05477	9.4
93.07053	16.0
95.04969	23.8
95.08611	6.8
97.06538	4.5
104.99241	2.1
105.07038	17.9
107.08582	10.1
109.06524	7.4
109.10192	3.9
117.07018	6.4
119.08604	11.9
121.06512	3.9
121.10146	16.1
121.40024	1.7
123.08052	3.9
123.11713	2.0
125.09589	2.1
129.07002	4.6
130.07779	3.3
131.08589	8.5
131.63017	1.6
132.08971	2.5
133.10165	4.5
135.08040	1.7
135.11674	3.1
139.11238	1.5
139.44119	1.5
141.43422	1.6
142.07816	4.0
143.08580	6.1
145.10106	11.6
147.08061	3.3
147.11674	4.8
149.09627	8.3
155.08527	3.3
157.10124	10.2
158.07376	2.9
159.08105	4.6
159.11740	3.0
161.09657	6.5
167.10657	21.6
169.10150	3.3
171.08057	1.8
171.11679	2.6
172.13454	2.3
173.09625	30.5
173.13306	4.0
175.11217	5.7
181.10167	1.8
183.11633	3.0
185.13298	2.1
187.11147	2.1
189.12903	1.6
195.11711	3.0
197.13290	2.7
199.11287	2.5
200.11954	1.6
209.13234	2.5
211.14714	1.9
213.12746	3.7
215.14227	3.7
221.13347	2.1
223.14813	2.1
227.14343	3.3
227.84390	1.5
233.13229	2.9
233.15265	10.8
247.07726	2.3
253.15898	1.9
263.07135	2.1
265.93622	1.9
285.18378	3.7
292.07379	1.8
297.18604	3.3
305.08115	2.4
311.20169	1.8
313.17764	12.7
319.09686	6.6
320.10339	3.8
336.09723	4.1
351.12064	2.7
359.27823	4.5
362.07703	2.5
365.10394	1.8
377.24515	7.4
377.29050	4.0
395.11905	19.1
395.20450	100.0
395.25693	11.8
395.29651	9.4
396.20657	9.1
396.25394	2.4
396.31119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2794
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
55.05508	3.7
57.07077	4.0
67.05508	6.7
68.33384	1.0
69.07073	5.7
69.25996	3.3
69.26421	2.8
71.04983	1.2
71.08632	4.4
79.05492	4.4
79.53292	1.0
81.07056	10.2
83.08607	3.1
85.06539	1.7
91.05486	8.5
93.07029	7.4
95.04988	5.9
95.08600	9.1
97.06522	1.3
99.08083	2.8
105.07028	4.6
107.08607	4.7
109.06516	15.9
109.10165	3.6
111.08116	1.6
117.07040	1.8
119.08549	4.8
121.10165	3.1
122.07259	1.5
123.08068	22.0
123.11676	1.1
131.08554	3.0
133.10141	2.9
135.08026	7.0
137.09578	2.5
145.10132	3.8
147.11700	1.8
149.09607	1.6
157.10144	1.7
159.11671	2.2
161.09650	3.5
165.12689	1.0
167.14333	1.9
173.09721	1.2
179.14301	72.3
180.14682	3.2
191.14389	1.5
193.15962	2.2
205.15894	11.7
207.13695	1.0
223.90114	1.0
275.23718	2.8
303.23166	34.5
304.23422	2.1
306.09097	1.0
319.09668	3.5
320.10269	1.8
321.11356	1.1
336.10034	1.9
351.12299	2.2
395.11264	12.2
395.27911	100.0
396.11636	1.1
396.28284	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	395.2794
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
54.29414	1.3
55.01869	1.8
55.05516	5.7
55.58765	1.0
56.38289	0.9
57.03430	2.0
57.07091	2.5
58.43295	0.9
65.77353	1.2
67.05505	9.3
69.07076	5.0
69.67213	3.2
70.06593	2.0
71.04987	1.5
71.08624	2.5
77.60278	1.0
79.05495	5.2
81.07058	11.0
83.08619	3.8
85.06519	2.5
88.32870	1.1
91.05479	7.3
93.07053	9.5
95.04970	2.9
95.08611	11.3
95.70119	1.1
97.06530	1.3
97.10188	1.3
99.08105	2.3
105.07040	4.1
107.08588	5.3
109.06525	12.1
109.10152	5.9
117.07034	1.5
119.08553	6.2
121.06499	1.3
121.10145	5.5
123.08070	32.1
123.11717	2.4
131.08568	3.6
133.10126	3.5
135.08051	9.9
135.11659	3.2
137.09601	3.1
143.08510	1.6
145.10138	3.5
147.11708	2.8
149.09607	4.8
149.13301	1.9
157.10165	1.1
159.11714	3.2
161.13249	2.1
163.11145	1.3
164.22661	1.0
171.11664	1.5
173.13307	1.6
175.14716	1.5
177.12733	5.2
179.14314	44.2
180.14700	2.8
185.13423	1.2
187.14883	1.2
189.16466	1.3
193.12334	1.6
193.15889	1.9
197.13133	1.4
198.15877	0.9
205.15863	5.2
243.21060	1.3
247.16988	2.7
263.07181	1.9
275.23764	3.6
290.05695	1.0
303.23212	39.5
304.23547	3.0
319.09723	2.3
320.10428	2.5
346.74939	1.3
351.12198	1.3
365.02686	1.2
377.26892	1.3
395.11243	10.7
395.27939	100.0
396.28363	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	397.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81264	1.0
55.05512	1.1
70.62061	1.8
80.94834	2.7
100.11256	3.2
187.03694	2.9
201.05229	4.7
202.06000	39.4
203.06511	1.8
203.23759	0.9
210.14783	1.3
210.81480	0.9
218.05490	3.6
242.96605	1.3
248.12070	1.0
292.97348	1.0
367.11423	3.7
379.11670	3.5
397.12585	100.0
397.17081	3.5
398.12878	7.9
398.28836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1471
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
58.06591	1.7
63.47868	0.4
69.33350	1.3
69.33736	1.0
70.06596	1.7
72.78504	0.5
74.29184	0.4
80.15524	0.5
82.41448	0.4
85.54067	0.4
85.65659	0.6
113.48136	0.4
185.04228	1.8
189.05261	0.8
219.06354	1.3
234.08638	8.6
234.62898	0.4
235.09381	7.2
239.08873	0.7
267.81863	0.4
270.34787	0.5
315.80719	0.5
367.13516	0.6
397.14679	100.0
398.14990	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	397.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33385	0.2
55.05508	0.4
56.34404	0.3
57.03421	0.3
69.07063	0.5
69.53693	0.4
69.54101	0.8
70.06593	0.4
71.04960	0.2
72.08153	0.8
79.05497	0.5
81.07043	0.8
83.05000	0.4
83.53884	0.3
84.08144	0.3
86.09727	0.4
91.05477	0.4
93.07047	0.7
95.08598	0.6
96.08128	0.3
97.06501	0.5
98.09697	1.5
100.11272	0.3
105.07012	0.5
107.08576	0.4
110.07166	0.5
125.09669	0.3
133.10182	0.3
142.12238	0.5
145.10130	0.4
147.08075	0.3
226.10857	0.3
235.13120	0.6
268.02661	0.2
277.14014	0.4
330.37167	0.3
379.26892	0.4
380.27982	1.2
396.27139	0.4
397.18314	100.0
398.18579	7.1
398.29184	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	397.2225
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03939	0.6
55.01858	1.3
55.05511	3.3
56.84346	0.4
57.03413	1.7
57.07078	2.2
59.57444	0.4
61.02927	2.7
65.03934	0.8
67.05505	5.8
69.03425	6.9
69.07063	4.4
70.06606	0.4
71.01537	0.5
71.04987	0.7
73.02896	0.8
79.05463	1.5
81.03439	2.2
81.07069	3.7
83.04984	0.6
83.08621	4.8
85.02905	18.2
85.06545	7.1
91.05478	7.5
93.07040	6.1
95.04958	0.8
95.08614	6.9
97.02888	5.0
97.06522	1.9
99.04448	1.5
101.80944	0.5
105.06346	0.8
105.07028	10.3
107.04974	2.4
107.07925	0.6
107.08593	8.2
109.02851	2.2
109.06517	3.1
109.10147	2.7
111.08086	9.7
113.09633	0.7
115.05396	0.5
117.07001	1.6
119.04925	1.6
119.08586	20.0
120.08887	0.6
121.06514	2.9
121.10153	4.2
123.08070	6.5
125.09628	6.7
127.03917	3.5
128.06256	0.5
129.06984	0.8
131.08574	1.3
133.06497	9.4
133.10129	13.4
135.08052	0.8
135.11687	1.5
137.09616	4.0
137.13208	0.7
139.07532	4.3
139.11166	0.6
142.07779	1.1
143.08511	0.8
145.04974	2.2
145.10112	1.4
146.07243	0.7
147.08049	36.9
147.11684	5.0
148.08334	0.7
149.09647	1.1
151.07526	0.6
151.11151	0.6
153.09099	1.2
157.10149	2.5
159.11678	3.0
160.08829	1.3
161.09622	15.2
161.13219	0.5
162.10034	0.6
165.09106	4.0
167.10713	0.7
171.11694	0.7
173.13216	1.6
175.11192	24.2
175.14793	9.6
176.11525	1.3
179.10641	3.5
189.16386	3.0
193.12277	1.1
199.14816	2.9
217.15875	36.1
218.16257	2.6
235.16928	100.0
236.17271	6.5
397.22180	17.0
397.26114	0.7
398.22531	1.3
398.28955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72314	1.4
55.05508	5.7
57.07076	2.0
67.05508	17.5
67.84044	1.4
67.84425	1.5
69.07068	100.0
71.05003	9.1
71.08630	3.0
79.05490	4.6
81.07055	31.5
83.08614	2.7
85.06543	4.0
91.05482	9.4
93.07046	4.9
95.08600	21.1
97.06506	2.4
101.09656	73.0
105.07031	6.5
107.08604	5.4
109.06542	2.1
109.10159	3.0
119.08594	9.9
121.10152	4.0
123.08071	3.5
123.11642	1.6
133.10034	1.7
135.11694	6.7
137.05959	2.0
137.13258	3.2
145.10107	1.5
147.11685	8.7
151.07487	2.4
163.14819	1.7
165.12785	7.9
179.14285	2.0
181.12270	5.9
183.13780	11.3
197.15302	9.8
201.14847	3.2
279.19525	2.4
303.26749	1.8
319.26355	4.4
329.24692	4.5
334.27289	2.1
347.25784	30.6
348.26221	3.1
379.28360	20.5
398.36331	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05518	1.6
57.03435	18.6
58.06597	2.0
59.04998	4.3
60.04514	1.9
61.02899	3.2
67.05503	2.3
69.03431	65.5
69.07071	23.0
69.65174	6.0
70.06579	5.9
72.08154	1.8
73.02908	2.8
75.04475	1.9
81.03410	4.2
81.07052	3.1
84.08142	1.6
85.02905	66.0
85.06564	2.5
86.03240	2.7
87.04467	43.1
87.30961	1.6
91.03938	1.9
91.05460	2.2
93.07036	3.0
95.08597	2.0
97.02892	50.4
98.97614	3.9
99.04456	2.9
107.08544	2.2
109.02895	3.7
111.08076	14.4
115.03934	67.4
123.08071	2.3
123.55505	1.7
127.03918	11.2
128.10703	5.6
129.05426	1.7
133.04962	100.0
135.08022	3.6
136.88971	1.5
144.10213	1.6
145.04948	25.7
150.07660	7.6
153.09114	3.6
159.45207	1.5
163.05995	15.2
165.09123	4.4
169.04947	2.2
183.10101	1.8
201.11250	5.8
213.11203	1.9
219.12321	3.0
226.24194	1.5
231.11963	1.7
259.08105	6.6
274.97601	4.2
277.09253	2.2
295.10236	6.8
398.25308	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	398.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05502	5.4
57.03431	1.7
57.07065	1.8
67.05512	9.0
69.03448	2.1
69.07049	6.3
69.46394	5.9
79.05481	9.0
81.07062	12.1
83.04973	4.0
83.08636	2.9
89.37018	1.3
91.05470	8.7
93.07043	11.6
95.04968	3.6
95.08630	6.9
105.07017	10.6
107.04973	3.5
107.08580	6.3
109.06516	5.3
109.10159	3.3
117.06961	2.5
119.08572	6.5
121.06507	5.9
121.10140	6.2
123.08102	2.5
131.08560	9.8
133.10124	10.0
135.08107	2.4
135.11688	2.4
137.09581	1.8
143.08536	3.0
145.06454	1.4
145.10086	7.6
146.95952	1.5
147.08026	1.7
147.11693	6.0
149.09645	4.7
149.13232	2.3
151.11195	2.8
157.10092	2.3
159.11691	6.1
161.09612	1.8
161.13243	1.8
163.11194	4.0
173.13228	2.5
175.11183	2.8
176.31924	1.6
183.11530	1.5
191.14346	1.9
201.12889	2.3
207.13857	2.5
219.13724	1.4
229.19504	2.0
257.18948	7.0
275.20068	61.3
276.20471	3.2
293.21167	8.8
349.23730	100.0
350.24033	6.4
367.24777	22.8
368.25110	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	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
57.02349	1.8
57.03448	3.0
58.43677	1.5
58.44073	1.5
61.93122	1.5
67.05508	7.4
69.07063	3.5
71.46806	1.9
78.43275	1.4
79.05502	6.7
81.07049	9.3
83.04982	3.7
83.08625	2.2
84.08141	2.0
91.05473	5.7
93.07056	9.3
95.04974	2.3
95.08611	7.3
97.06493	1.7
98.97535	2.1
105.07040	7.4
107.04930	2.5
107.08608	6.6
109.10171	4.8
117.07024	2.9
119.08598	10.5
120.08928	2.5
121.06525	3.1
121.10166	2.1
123.08061	1.9
130.90570	1.5
131.08589	6.9
133.06468	1.8
133.10185	7.8
135.08066	3.1
135.11729	2.8
143.08627	2.5
145.10146	5.0
147.11714	4.5
151.11241	2.0
159.11700	3.9
161.09619	2.6
163.11180	2.3
173.13184	2.2
200.67664	1.6
201.12834	2.0
229.19521	1.7
244.76454	1.5
257.18991	4.2
275.20065	47.4
276.20483	2.6
293.21207	7.6
300.21793	8.9
349.23734	100.0
350.23993	8.4
367.24985	3.1
398.24350	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	399.1416
Annotation	D 4476
Peak:m/z	Relative Intensity
51.13004	0.3
53.39218	0.3
58.58792	0.3
66.92268	0.3
69.79337	0.8
71.08602	0.3
80.04737	0.3
82.29606	0.3
83.19038	0.3
86.09715	0.3
89.49992	0.3
91.90627	0.3
102.87372	0.3
129.29070	0.3
159.81584	0.3
187.03662	0.7
202.06001	7.5
203.06667	0.6
220.07051	0.4
229.30954	0.4
234.93886	0.4
274.97781	0.4
292.98999	0.4
301.19751	0.3
384.61389	0.4
399.14136	100.0
400.09616	0.6
400.14502	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	399.1994
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
55.05512	1.3
57.03442	0.9
57.07090	0.4
57.83695	0.4
57.94266	0.4
62.93429	0.3
63.83956	0.3
63.94953	0.3
67.05498	1.1
69.03442	0.6
69.07088	0.8
70.06591	0.7
71.05009	0.4
71.08627	0.6
71.44907	0.4
72.08151	1.7
79.05489	1.2
81.07072	2.6
83.04959	0.7
83.08609	0.4
84.08119	0.5
85.02881	0.4
86.09693	0.9
91.05508	1.2
93.07034	1.7
95.04973	0.6
95.08603	1.7
97.02885	1.2
97.06515	0.9
98.09686	1.5
105.07034	1.6
107.08570	0.8
109.06564	0.5
109.10172	0.5
111.04457	0.6
119.08588	0.8
121.10124	1.6
125.09609	0.4
128.10716	0.6
131.08507	0.4
133.10121	1.1
135.11732	0.5
136.06177	1.3
142.12259	2.3
147.11755	0.5
153.01297	0.4
157.47131	0.4
159.11671	0.5
184.19640	0.4
186.14861	0.4
196.01927	0.4
219.13812	0.9
219.17384	0.5
235.91252	0.4
237.14796	1.1
250.09384	1.1
291.04739	0.4
309.87454	0.4
351.23840	0.5
364.42548	0.5
381.18185	0.4
381.28320	1.8
382.29630	3.0
398.32977	0.5
399.19873	100.0
399.27261	4.4
400.20227	8.1
400.30609	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	399.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.75220	0.3
57.03426	0.3
57.93515	0.3
60.03989	0.3
64.76691	0.3
67.05506	0.6
69.07066	0.4
70.06598	0.4
71.08624	0.4
72.08154	0.8
79.05496	0.6
81.07056	0.8
84.09157	0.3
86.09718	0.3
88.62958	0.3
91.05489	0.4
93.07043	0.5
95.08613	0.5
97.02875	0.8
97.06557	0.4
98.09705	0.5
101.06001	0.3
102.05511	0.4
102.65093	0.3
107.08576	0.4
109.06504	0.3
109.10098	0.4
111.09190	0.3
116.98605	0.3
119.08607	0.4
133.10181	0.3
135.07948	0.3
136.06204	0.9
137.26224	0.3
141.77969	0.3
145.10168	0.4
158.32603	0.3
183.53859	0.2
250.09367	1.1
274.97552	0.7
316.45789	0.3
351.24634	0.5
381.26132	0.9
382.29550	0.7
399.27176	100.0
400.27414	7.9
416.67902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34329	1.8
55.01868	2.4
55.05504	5.4
56.05050	2.9
57.03171	2.7
57.03436	22.5
58.06606	6.6
59.05001	4.0
61.02917	6.6
61.39141	1.9
67.05505	4.8
69.03432	75.5
69.07079	2.7
70.02987	6.2
70.06592	18.5
71.05003	3.1
72.08161	31.2
73.02926	5.3
73.08485	3.0
77.36221	1.9
79.05505	7.6
81.03426	5.2
81.07069	5.5
82.06576	2.4
83.04938	3.5
84.08177	4.6
85.02910	99.2
86.09705	26.8
87.04468	56.1
87.10062	3.9
91.03933	2.4
91.05474	4.6
93.07047	5.4
95.04981	2.6
96.08131	3.9
97.02897	57.5
97.06561	4.2
98.09695	5.4
99.04485	4.4
100.07656	3.3
100.11227	2.5
103.03962	2.4
105.07092	3.2
107.04973	2.5
107.08530	2.3
109.02897	6.1
110.07211	3.3
110.09695	7.7
111.04455	2.4
115.03120	4.7
115.03929	85.1
116.07082	6.3
118.13165	2.3
120.08106	4.8
126.05571	2.2
127.03906	15.9
128.10728	19.6
133.03951	5.1
133.04967	100.0
134.34074	2.0
136.07594	5.9
141.10173	2.1
142.12283	3.4
144.10239	4.9
145.04970	38.0
150.07599	12.2
163.06039	21.2
170.11761	4.5
171.11356	2.7
182.15375	2.6
187.09988	3.5
210.14920	3.6
211.15317	5.7
221.08047	5.3
238.08771	13.5
238.10880	8.3
241.07162	3.3
251.14857	3.9
259.08243	4.8
295.10245	6.4
336.25525	3.2
338.21390	3.3
364.28784	2.7
382.25708	8.8
382.29984	10.1
400.15741	7.2
400.26434	34.4
400.30698	10.3
401.16290	2.4
401.28592	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	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34329	1.8
55.01868	2.4
55.05504	5.4
56.05050	2.9
57.03171	2.7
57.03436	22.5
58.06606	6.6
59.05001	4.0
61.02917	6.6
61.39141	1.9
67.05505	4.8
69.03432	75.5
69.07079	2.7
70.02987	6.2
70.06592	18.5
71.05003	3.1
72.08161	31.2
73.02926	5.3
73.08485	3.0
77.36221	1.9
79.05505	7.6
81.03426	5.2
81.07069	5.5
82.06576	2.4
83.04938	3.5
84.08177	4.6
85.02910	99.2
86.09705	26.8
87.04468	56.1
87.10062	3.9
91.03933	2.4
91.05474	4.6
93.07047	5.4
95.04981	2.6
96.08131	3.9
97.02897	57.5
97.06561	4.2
98.09695	5.4
99.04485	4.4
100.07656	3.3
100.11227	2.5
103.03962	2.4
105.07092	3.2
107.04973	2.5
107.08530	2.3
109.02897	6.1
110.07211	3.3
110.09695	7.7
111.04455	2.4
115.03120	4.7
115.03929	85.1
116.07082	6.3
118.13165	2.3
120.08106	4.8
126.05571	2.2
127.03906	15.9
128.10728	19.6
133.03951	5.1
133.04967	100.0
134.34074	2.0
136.07594	5.9
141.10173	2.1
142.12283	3.4
144.10239	4.9
145.04970	38.0
150.07599	12.2
163.06039	21.2
170.11761	4.5
171.11356	2.7
182.15375	2.6
187.09988	3.5
210.14920	3.6
211.15317	5.7
221.08047	5.3
238.08771	13.5
238.10880	8.3
241.07162	3.3
251.14857	3.9
259.08243	4.8
295.10245	6.4
336.25525	3.2
338.21390	3.3
364.28784	2.7
382.25708	8.8
382.29984	10.1
400.15741	7.2
400.26434	34.4
400.30698	10.3
401.16290	2.4
401.28592	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	400.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68425	6.3
55.05507	19.4
58.38732	6.5
67.05504	26.7
69.07064	21.1
69.54710	27.9
72.08169	6.9
76.27616	6.4
77.87336	6.4
79.05483	23.8
81.07056	42.5
83.04948	6.5
83.08618	15.4
84.04269	11.2
91.05477	24.6
92.65802	7.6
93.07018	18.3
94.03763	7.3
95.08619	12.0
97.02868	9.6
97.10151	9.5
105.07030	28.9
107.04936	7.9
107.08584	18.7
109.06498	10.7
109.10144	13.8
112.12236	7.9
117.07011	12.3
119.08630	9.2
125.09624	13.4
131.08534	8.7
133.10144	19.9
135.08098	8.2
145.10110	7.3
223.13290	11.2
253.14420	11.8
274.97595	10.6
291.19562	100.0
307.56677	8.2
339.19101	8.8
365.23199	56.4
400.23981	12.5
400.28409	17.4
401.28329	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	400.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01111	6.2
55.05504	11.0
56.07552	7.1
56.23196	6.2
56.96569	10.0
57.03434	7.3
57.07088	7.1
59.10698	6.5
61.84686	6.2
66.87166	6.0
67.05517	45.4
69.07081	15.7
71.46986	6.9
79.05488	55.3
80.94850	7.0
81.07053	41.8
83.08638	10.0
88.40672	5.9
91.05482	48.8
93.07047	60.3
95.04979	7.8
95.08606	27.6
101.15332	6.9
105.07041	65.8
107.08604	35.5
109.10143	22.7
111.08040	6.7
117.07001	8.1
119.08604	50.4
121.10178	32.5
129.06935	6.7
131.08600	15.6
133.10126	58.3
135.11688	30.9
137.09648	6.3
145.10120	17.2
147.11696	46.8
149.13239	14.4
157.10159	10.1
159.11716	18.9
161.13261	28.5
163.14842	6.7
171.11707	9.2
173.13380	7.2
175.14786	12.4
184.72589	6.0
185.13249	12.7
231.21199	9.0
241.19449	28.3
242.20015	6.9
259.20609	100.0
260.20883	7.9
333.24457	7.2
351.25293	84.6
353.52548	6.9
356.31894	11.2
386.40289	6.7
398.95712	7.4
400.27783	8.0
400.34274	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	401.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.9
69.21246	2.2
71.95250	0.4
93.45725	0.4
98.97581	100.0
99.97935	1.1
112.72183	0.4
116.98618	54.0
117.98949	0.5
134.99655	18.0
140.00198	1.1
141.63853	0.5
153.00677	1.4
174.97664	0.5
177.00967	0.5
179.00691	0.4
216.98775	1.9
219.01924	1.1
221.01891	0.6
226.76263	0.5
232.96419	1.6
234.99825	1.7
240.98679	5.2
250.97556	0.5
256.96472	2.3
258.99756	74.1
259.99924	5.5
260.96414	0.5
260.99814	1.9
261.03082	3.0
262.03058	0.6
263.02856	0.8
274.97556	13.4
275.98080	1.2
277.00803	74.9
278.00955	4.9
279.00864	1.6
282.01303	1.1
282.99985	4.7
284.00168	0.9
284.99710	3.6
286.00027	0.6
292.98547	6.2
293.98779	0.8
294.98538	1.2
295.01892	1.0
298.97861	0.9
300.02374	1.4
300.97684	0.7
301.00967	5.3
302.01190	1.3
303.00784	4.6
304.00912	1.1
316.98697	2.1
318.98584	0.9
341.02423	0.6
347.01923	0.5
358.99548	1.1
359.04001	3.0
360.00192	0.8
382.99902	7.5
384.00049	1.2
401.01007	26.0
401.22705	0.5
402.01102	5.0
418.97845	1.9
419.01984	3.3
424.02716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
55.05526	4.9
56.95985	1.6
59.05008	13.4
60.05649	5.5
65.03951	2.0
66.57623	2.0
67.05505	2.7
68.30737	1.8
69.03426	8.0
69.07072	14.7
70.06594	83.3
70.94173	1.8
71.04999	4.0
71.44154	2.0
72.08167	11.3
77.03925	1.7
79.05493	10.8
81.07055	42.8
83.04977	19.0
84.04511	3.2
84.08169	6.8
85.02922	8.7
85.06574	4.4
86.09705	65.8
86.10219	3.6
86.55886	1.8
91.05487	16.1
93.07045	59.7
93.07604	3.6
95.04971	13.3
97.02924	2.2
97.06539	9.6
98.06081	2.3
99.04446	2.8
101.06033	8.5
105.07024	9.4
107.04970	8.4
107.08594	8.8
109.06529	19.7
109.10165	2.2
110.07176	6.3
112.08744	18.2
113.06041	4.7
113.07187	2.3
114.09238	4.4
115.08696	7.1
115.09489	2.0
116.07109	7.6
117.07069	3.4
119.04962	12.9
119.08599	7.2
121.06531	5.5
121.10146	2.4
125.05943	3.0
127.07587	5.4
128.10716	21.8
129.05486	5.3
129.10271	4.2
129.11099	5.8
130.09755	2.1
133.10153	7.7
135.08099	3.3
135.11723	8.7
137.05989	40.9
137.09668	2.7
139.07642	2.3
140.08199	3.1
142.07820	2.2
145.10184	6.6
147.11696	12.4
153.09087	3.2
155.07054	3.4
156.11360	4.1
157.10094	3.5
158.09279	5.1
159.11603	4.0
160.08896	2.5
161.09628	3.8
163.11195	2.5
165.05534	3.7
173.09653	9.0
175.11229	15.9
179.10690	5.6
182.42908	2.1
183.06544	4.1
185.10046	1.8
186.12515	3.1
191.10693	11.5
193.12230	21.5
195.94859	2.1
203.10675	13.8
214.11893	2.0
221.11713	34.7
225.17189	7.3
229.15488	5.6
239.12790	65.7
240.13115	4.1
253.16690	6.9
270.19351	2.4
271.17657	8.0
288.20276	31.2
289.17322	1.9
371.94891	2.1
384.26331	2.5
401.13409	3.0
401.17871	12.8
401.28781	100.0
402.24731	5.0
402.29071	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	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27185	1.6
59.05004	8.6
60.05642	9.5
63.19158	1.3
67.05500	2.8
69.03426	5.0
69.07063	3.4
70.06601	63.3
71.04984	4.7
71.09654	1.7
72.08167	8.7
75.26488	1.5
79.05482	7.3
79.76719	1.5
81.07058	30.8
83.04985	11.9
85.02920	3.4
85.06507	2.0
86.09709	21.0
91.05477	12.4
93.07051	41.3
95.04980	7.4
95.08607	2.2
97.02873	1.4
97.06524	6.4
98.23404	2.5
101.06014	5.1
105.07019	6.8
107.04953	5.1
107.08574	4.2
109.06511	12.9
109.10147	1.6
112.08736	17.8
115.08669	2.1
116.07060	2.3
116.47634	1.5
119.04964	6.0
119.08591	6.3
121.06491	4.6
121.10184	2.9
123.04437	2.1
123.08076	1.9
127.07536	2.7
128.10735	3.3
128.35474	1.4
129.05482	4.2
133.10155	4.1
135.08105	2.1
135.11697	6.0
137.05977	22.8
137.09599	2.6
138.12802	2.1
140.08165	3.4
142.07803	2.3
145.10127	6.4
147.11679	7.4
151.11182	2.7
155.06969	2.1
157.10918	3.5
159.11438	1.7
161.09636	2.8
163.11226	3.3
165.05562	2.5
173.09613	4.2
175.11235	9.1
179.10680	3.5
181.12212	1.9
183.06479	3.1
183.14943	4.3
187.10735	1.8
191.10695	6.7
193.12248	14.4
203.10692	6.7
213.15974	2.3
221.11729	27.4
222.12222	2.2
225.17039	13.6
239.12785	46.8
253.16443	3.4
270.19180	3.2
271.17642	6.5
288.20264	11.0
314.35260	1.7
339.49326	1.6
384.26074	3.5
401.17725	4.5
401.28699	100.0
402.28909	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	401.2394
Annotation	Bisucaberin
Peak:m/z	Relative Intensity
55.05496	0.9
56.05019	0.6
57.03432	1.6
57.05797	0.4
58.06588	0.5
67.05506	1.4
69.07069	7.6
69.23643	2.2
70.06589	1.8
71.04971	0.8
72.08152	6.4
75.05613	2.7
79.05488	2.0
81.07064	2.0
82.07373	0.5
83.04974	0.7
85.02907	0.5
85.06570	0.4
86.06078	4.5
86.09705	100.0
87.10038	1.6
91.05492	1.0
92.05844	0.4
93.07046	0.7
94.07369	0.6
95.04993	0.6
95.08614	0.9
97.06551	0.9
98.09686	2.6
99.08100	0.9
99.10020	0.7
105.07033	0.8
107.08601	0.9
114.05530	10.4
114.06334	0.6
118.08662	1.0
128.10721	0.7
133.10173	0.4
142.12315	1.1
143.11783	14.4
144.12103	0.5
153.06635	0.8
171.07631	3.0
171.11270	4.0
185.51582	0.4
190.64052	0.5
219.76585	0.4
220.90916	0.4
228.17534	1.3
231.17111	1.9
238.15569	0.8
245.18599	0.4
256.16559	15.7
257.17032	0.6
270.17923	0.5
284.16028	6.4
331.12134	0.4
365.28912	0.6
382.29477	1.1
383.29819	3.1
400.30536	4.7
401.30981	13.4
402.19110	5.7
402.31729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
55.24828	0.5
56.05032	1.0
60.05650	8.4
60.92554	0.5
69.07083	0.7
70.06592	45.5
71.04993	1.0
71.06928	0.7
71.44710	0.4
72.08154	5.5
74.06070	0.5
83.06074	0.6
84.04522	1.3
84.08147	5.9
85.02887	0.9
86.06078	4.2
86.09705	89.9
87.10036	1.7
96.08102	0.5
97.07671	0.7
101.07175	0.5
102.05564	0.4
110.07151	1.5
110.09629	0.5
112.08729	6.7
113.07107	1.1
114.05531	2.1
114.09166	2.0
114.10307	1.2
115.08687	5.0
116.07093	12.2
128.10692	3.0
128.11673	0.5
129.10223	3.5
129.11067	0.9
130.08778	0.9
130.09752	3.9
133.09753	1.2
136.06178	0.6
140.64813	0.4
141.06567	1.0
141.10216	1.7
156.11314	8.2
157.10815	0.9
157.13406	2.4
158.09239	10.8
163.03917	0.7
169.09773	1.6
169.36145	0.4
173.09253	0.6
175.11908	22.7
183.11084	0.5
183.14969	0.6
185.12860	0.5
185.16446	0.6
186.88672	0.5
187.07191	0.7
187.10832	1.5
213.12399	0.8
215.13882	0.9
217.11836	1.4
226.15524	0.6
227.13869	2.2
231.71555	0.4
250.09244	0.7
271.17639	7.9
275.09125	0.9
282.18115	0.7
383.23901	1.3
401.14001	2.0
401.24982	100.0
402.24890	10.5
420.11157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.1
57.07077	8.0
67.05508	22.7
69.07068	19.1
70.06601	6.7
71.04976	10.5
79.05491	31.2
81.07064	39.9
83.08612	4.6
85.06477	4.7
87.04475	7.1
91.05483	53.6
93.07047	56.9
95.04987	13.0
95.08617	20.8
96.05263	5.0
99.68193	5.2
102.09184	6.6
103.05498	5.3
105.07030	97.4
105.07718	5.3
106.39216	4.9
107.08606	40.3
109.06522	65.6
109.10169	15.1
111.08087	8.4
115.05457	6.7
117.07057	26.0
119.08582	87.6
121.10164	21.5
123.11848	4.8
128.06227	14.3
129.06995	18.7
130.07779	14.1
131.08583	59.4
133.10135	86.8
135.08063	16.6
135.11681	24.0
137.09599	8.2
141.06937	6.9
142.07782	24.3
143.08595	48.1
144.09378	9.2
145.10132	100.0
145.11223	7.3
147.08038	8.4
147.11702	18.5
149.09656	5.6
155.08540	15.7
156.09340	22.2
157.10127	56.1
158.10931	13.7
159.11732	35.3
161.09624	8.3
161.13310	5.4
165.06943	8.9
167.08572	17.6
168.09372	9.0
169.10112	22.1
170.09550	4.7
170.10979	9.7
171.11703	40.3
172.12459	11.5
173.13277	45.3
175.14861	21.7
179.08583	10.4
180.09265	10.1
181.10123	12.8
183.11708	17.7
184.12364	6.5
185.13304	17.7
187.14838	44.8
193.10179	15.4
194.10863	11.7
195.11667	23.3
195.15353	4.8
196.12482	10.1
197.13310	17.9
199.11208	5.7
199.14841	22.4
206.10858	8.1
207.11734	16.0
208.12294	5.5
209.13326	26.4
210.14012	5.2
211.14833	6.3
221.13258	19.3
223.14774	11.6
233.13269	7.5
235.14880	8.7
237.16324	11.5
247.14742	7.1
249.16451	5.2
251.18048	7.8
261.16537	5.1
265.19757	9.2
289.24350	6.4
355.60336	4.8
372.14227	5.9
386.15482	8.4
400.16959	5.6
401.13800	42.1
401.18530	59.2
401.27835	26.2
401.38150	13.4
402.14517	17.6
402.18320	21.3
402.38675	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	401.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06479	0.7
55.05499	1.7
56.05033	1.4
60.05650	13.6
69.03418	0.8
69.07063	6.0
69.29958	0.8
69.92676	2.0
69.93031	1.4
70.06593	51.6
71.04989	0.9
71.06939	1.1
72.08157	11.9
84.04512	2.3
84.08143	10.4
85.02879	1.4
86.09708	93.6
87.10035	1.8
97.02908	2.1
98.06081	0.8
98.23363	1.0
98.97581	1.5
101.07130	1.2
102.05569	1.2
107.42384	0.9
110.07175	0.9
112.08763	4.8
113.07132	0.9
114.09104	1.2
114.10305	1.8
115.08697	5.4
116.07095	13.2
128.10736	1.6
129.10222	7.1
130.05003	2.2
130.09787	4.2
133.09718	1.0
136.06172	2.3
145.80586	0.8
147.04414	1.2
147.07672	2.2
156.11316	6.8
157.10852	1.9
158.09239	12.4
175.11913	34.6
187.10791	2.3
199.18063	7.9
217.11923	3.8
227.17569	2.8
234.88458	0.8
271.17590	4.4
288.20367	1.5
366.25058	1.8
384.26071	2.5
401.28708	100.0
402.23770	5.2
402.29568	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	401.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.05036	0.9
59.05009	1.4
60.04525	0.7
60.05656	11.3
67.05518	0.7
68.05037	0.8
69.07061	1.3
69.24178	2.3
69.24580	1.5
70.06593	97.2
71.04996	6.7
71.06937	1.0
72.08160	13.7
79.05499	2.5
81.07059	6.2
83.04985	1.7
84.04498	0.7
84.08146	2.0
85.02915	1.4
85.07683	0.7
86.09710	35.2
87.10023	0.8
88.07642	3.7
88.94588	0.8
89.12145	0.7
91.05495	2.2
93.07048	6.5
95.04971	1.8
95.06107	1.2
96.08132	0.7
97.06544	1.2
97.07658	1.8
98.06060	2.7
98.09717	0.7
98.22688	1.4
105.07047	1.0
107.04925	0.9
107.08558	1.2
109.06522	2.6
110.09725	1.2
112.08731	28.7
113.07195	0.6
114.09147	0.9
115.08695	4.3
116.07111	2.4
119.04929	1.8
119.08639	1.0
120.08132	0.7
121.06519	0.9
128.10710	4.1
129.11078	1.5
133.10165	0.7
135.08029	0.6
135.11699	1.2
137.05981	4.8
137.09631	0.6
138.12813	2.2
140.08186	5.5
147.11655	1.1
157.10875	5.9
158.09300	1.3
159.11258	1.1
163.11206	0.9
165.05521	0.8
168.13824	0.8
169.09839	0.6
173.09518	1.2
175.12096	4.1
182.16568	1.7
183.14909	6.5
185.16516	3.1
187.10785	0.8
189.12387	3.5
191.10585	0.9
193.12239	2.2
203.10712	1.1
208.14526	1.6
210.15974	3.3
211.14305	1.2
213.16057	3.0
221.11685	3.6
225.17096	19.2
228.17038	1.7
229.15451	1.9
232.79897	0.6
236.13988	0.7
239.12776	8.2
239.15031	0.9
240.13283	0.7
242.19780	2.0
245.18570	0.8
253.16658	1.9
254.14850	0.8
254.21181	1.1
270.19376	2.1
271.17661	8.4
288.20309	12.1
342.23965	0.7
384.26181	6.3
401.18280	5.9
401.28741	100.0
402.24500	1.3
402.29025	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	401.2874
Annotation	Arg Ile Leu
Peak:m/z	Relative Intensity
52.47372	0.3
55.05507	0.4
56.05029	0.9
56.96569	0.5
59.49212	0.3
60.05354	0.5
60.05653	9.5
67.05468	0.4
68.05018	0.8
69.07061	2.9
69.81350	1.1
70.06593	87.7
71.04995	6.1
71.06928	1.0
72.08151	3.5
81.02472	0.4
81.07058	1.2
84.04533	0.5
84.08138	2.6
85.02901	0.6
85.07689	0.7
86.09708	28.8
87.10028	0.5
87.10584	0.4
88.07627	2.9
91.38796	0.4
93.07037	0.4
95.06084	0.7
95.08619	0.4
96.08131	0.9
97.07657	1.2
98.06082	3.1
98.22741	0.7
101.07159	0.5
110.07167	1.4
110.09715	1.0
111.10049	0.4
112.08733	24.5
113.07109	0.6
114.09148	2.3
115.08693	3.9
116.07097	1.6
120.08122	1.0
123.11707	0.7
128.10724	7.7
128.11612	0.7
129.10231	1.0
129.11084	1.5
130.06514	6.1
130.09792	0.6
132.04459	0.9
138.12784	2.1
140.08182	5.5
145.04950	1.0
148.07597	2.4
156.11395	0.5
157.10860	7.2
158.06018	2.0
158.09286	0.7
165.13908	0.8
166.12334	0.7
172.77361	0.4
175.11913	5.4
176.07062	9.4
182.16522	1.7
183.14941	6.9
183.16530	0.3
184.15302	0.4
185.16537	0.5
202.10745	1.7
203.14091	0.4
204.48549	0.4
204.85979	0.4
208.14453	1.7
210.16052	2.0
211.14433	1.5
215.13933	0.7
222.07619	11.9
223.07866	0.6
225.17105	19.2
228.17036	0.9
229.15506	2.4
236.13892	0.7
239.12749	1.0
242.19698	2.1
245.18634	1.0
253.16658	1.4
270.19278	3.3
271.17621	6.2
288.20319	11.1
289.20740	0.9
319.66849	0.5
384.26123	5.3
401.18250	3.8
401.28711	100.0
402.20969	1.2
402.29053	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	402.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.6
56.05013	2.5
56.96545	1.4
60.04520	1.1
60.05626	1.9
67.05492	0.7
68.96312	0.5
69.07042	0.8
70.06597	18.7
71.04973	0.6
72.08158	26.2
82.06576	1.3
84.04520	3.3
84.08145	100.0
85.02889	1.6
85.06539	0.9
85.08452	2.2
86.09191	0.9
86.09708	14.8
87.05556	0.9
95.06065	0.8
96.07498	0.5
96.08117	1.4
97.02902	1.2
98.09663	0.5
98.97588	1.0
101.07164	0.6
101.10796	3.9
102.05522	1.1
110.07158	4.3
111.09189	1.3
112.07619	1.0
112.08714	3.8
112.11185	0.7
114.09183	1.4
115.08692	3.4
116.07112	2.3
118.08675	1.8
120.08118	7.8
124.07586	0.6
127.08662	1.0
127.17387	0.5
129.10248	72.2
130.05014	3.0
130.08667	0.8
130.10641	1.3
133.06122	1.5
136.06148	0.9
138.12816	2.7
140.08224	0.7
141.10272	1.6
143.08191	0.9
143.11839	1.5
144.06592	1.8
147.07698	4.0
156.07693	6.8
157.09753	1.3
157.10883	0.6
157.13394	1.7
158.09334	1.0
161.09274	1.7
166.08722	1.9
169.09641	0.5
169.13429	0.6
171.11349	1.4
175.10803	1.7
175.12016	2.1
183.14912	7.0
185.12958	1.1
186.12502	0.9
187.96690	0.6
200.14009	0.8
201.08775	0.8
201.12465	1.3
201.31720	0.5
203.14064	1.1
210.16141	2.4
211.15848	0.9
214.12004	0.6
215.14174	0.6
218.11304	2.6
218.15208	0.7
219.09856	1.2
228.17010	6.3
229.11781	0.6
232.13147	2.0
232.96606	1.0
256.16513	0.6
260.16290	1.1
270.18561	0.6
274.17609	3.7
284.16269	1.0
285.19565	0.6
288.20584	0.7
298.11032	0.9
303.20563	1.2
316.12177	1.1
331.20172	0.7
380.03793	2.0
385.25110	0.7
401.73090	0.7
402.27664	46.6
403.15350	0.7
403.18256	0.9
403.22687	4.0
403.28140	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.7
55.05513	31.2
57.03429	22.0
62.89266	4.9
64.80440	5.2
67.05503	76.5
69.03435	7.4
69.07068	38.8
71.04961	5.7
76.22453	4.7
76.34326	5.4
79.05500	60.4
81.03410	7.7
81.07059	100.0
83.04971	11.1
83.08616	12.2
91.05476	53.2
93.07043	70.4
94.75491	5.3
95.04961	12.2
95.08613	31.2
95.28432	5.0
97.06525	21.4
99.08102	12.6
105.04436	6.8
105.07037	43.0
107.08611	41.8
109.06534	10.3
109.10174	12.8
111.08130	7.5
117.07036	20.4
119.08556	30.9
121.10147	15.5
121.59226	4.9
123.08076	9.0
123.11711	8.2
129.07019	6.8
131.08586	18.0
133.10136	26.7
135.11694	31.3
137.09589	6.8
145.10135	26.1
147.11723	13.2
147.49055	5.5
149.09567	6.3
149.13239	29.7
159.11696	23.2
161.13275	8.1
163.11165	14.5
171.11694	6.6
173.08191	7.2
173.13225	7.2
177.12770	16.2
179.14217	5.6
195.13763	14.1
223.57777	5.0
224.78088	4.6
246.21858	5.2
255.15921	93.3
257.18756	6.6
269.17444	76.0
275.20053	30.4
349.23724	28.4
350.24158	5.5
367.24777	11.2
373.09360	7.4
403.13748	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97597	8.2
55.01866	12.1
55.05513	60.8
55.35126	7.4
57.03428	20.7
67.05493	72.4
69.07079	67.7
69.64275	33.8
79.05495	55.9
81.07065	63.3
83.08614	42.7
89.89729	8.8
91.05488	38.4
91.25035	7.7
93.07040	28.5
95.08601	35.1
97.06551	15.6
97.10158	69.9
104.66715	7.4
105.07041	45.7
107.08600	83.2
109.10165	24.2
116.51305	8.1
117.07015	10.7
119.08590	37.8
121.10104	12.8
121.72648	8.3
123.11745	8.9
124.23019	8.9
125.09644	54.8
127.73227	7.8
131.08566	23.8
133.10144	27.3
138.12794	19.0
145.10110	35.9
147.11658	14.4
149.09602	19.8
159.11711	15.9
171.10188	11.9
183.11887	8.7
187.11026	7.8
189.11237	44.1
196.23706	7.7
227.12796	57.5
229.14400	23.7
239.17789	11.7
245.13841	29.8
257.19089	15.9
275.20056	80.3
286.20236	9.4
349.23737	100.0
366.26257	12.2
398.08246	8.5
402.29718	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.4
57.07082	9.3
58.14169	6.7
67.05506	39.7
69.07056	25.0
79.05509	37.1
80.94830	13.9
81.07060	100.0
83.04969	11.6
83.08611	17.9
91.05465	24.9
93.07041	28.0
95.04994	9.7
95.08609	22.7
97.06477	8.5
100.59641	7.6
105.07022	21.3
107.04958	9.3
107.08596	16.4
109.06517	19.9
109.10132	10.2
111.08091	7.1
119.08561	28.0
121.10135	13.9
131.08568	12.7
133.10130	12.4
134.55666	7.2
145.10138	12.2
147.11696	23.2
149.09622	14.2
153.73711	6.3
157.10104	7.4
159.11700	10.3
163.11183	8.9
165.12704	11.9
257.18979	8.4
275.20068	94.2
293.21182	13.6
295.22598	8.3
315.04907	7.4
344.14032	7.6
349.23779	87.1
367.24783	65.9
368.24692	8.6
373.09360	17.6
403.13733	21.1
403.29111	13.0
425.11377	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42087	4.9
52.46900	4.8
55.05512	32.5
67.05517	37.2
69.07068	21.5
70.06585	11.0
70.45821	5.0
71.02192	4.7
71.45053	6.0
78.93836	6.1
79.05500	30.2
81.07072	44.8
82.94908	4.7
83.04992	8.8
83.08617	17.4
85.36927	5.6
87.19629	5.4
91.05489	39.1
93.07060	29.8
95.04964	15.0
95.08611	19.3
103.05495	5.6
105.07058	34.0
107.04949	9.6
107.08611	17.3
108.95676	4.7
109.06503	7.8
109.10125	12.0
109.97575	5.4
117.07017	18.1
119.08592	34.9
121.10155	16.7
123.08040	6.5
123.20808	5.4
125.09644	5.4
131.08548	14.1
132.58754	5.5
133.10165	30.5
135.08076	7.1
135.11684	11.9
137.06046	6.5
137.09627	7.8
145.10143	14.0
147.11700	15.4
149.09637	24.3
150.57343	4.5
155.08667	6.0
159.11740	10.7
163.11169	20.9
173.13356	5.8
175.11156	5.0
210.63477	4.8
223.13347	9.4
239.17972	6.4
257.18961	10.4
263.20822	5.5
275.20108	100.0
293.21136	12.3
349.23654	36.5
367.24872	71.9
373.09097	14.7
403.13596	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60984	4.7
55.01865	15.3
55.05263	4.5
55.05513	86.0
56.05042	4.8
57.03445	24.3
67.05503	80.3
69.03428	11.2
69.07069	85.6
70.29150	4.5
70.53416	7.7
76.92268	5.2
79.05493	80.9
81.07056	74.5
83.04976	16.2
83.08630	48.3
91.05479	57.1
93.07050	49.9
95.04964	6.3
95.08593	36.2
97.06525	15.5
97.09586	7.7
97.10171	77.0
105.07027	53.9
107.04971	5.2
107.08591	100.0
109.06521	12.6
109.10149	29.2
111.08044	6.2
117.07018	24.2
119.08590	32.3
119.99689	4.4
121.06569	5.0
121.10132	20.9
125.09635	77.5
131.08528	24.3
133.10121	41.8
135.08049	16.3
135.11682	13.3
138.12807	15.4
143.08620	7.2
145.10121	36.1
147.11720	28.0
149.09608	18.9
151.11317	5.0
155.08606	5.4
157.10153	5.4
159.11697	15.3
161.13214	12.8
163.11205	13.6
171.10179	18.1
171.11624	9.6
173.11821	6.1
173.13290	9.0
175.11150	4.1
179.14342	4.3
183.11659	5.7
189.11252	43.1
227.12778	89.8
228.13364	5.1
229.14352	20.5
229.19534	6.1
239.17955	10.3
245.13824	40.3
247.20578	8.0
253.18054	13.4
255.15948	6.0
257.18927	24.7
275.20105	93.9
286.20078	11.2
349.23755	94.8
350.23834	7.5
384.27405	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.3
55.05515	44.9
56.08885	7.8
57.03433	24.8
61.06588	8.2
67.05510	86.8
69.07068	51.1
69.74702	17.5
79.05489	72.8
81.07056	100.0
83.04957	18.5
83.08640	17.0
91.05476	87.7
93.07047	84.5
95.04954	14.5
95.08604	53.9
97.06522	21.4
97.10172	16.3
98.22705	15.5
99.08083	10.6
105.07027	73.0
106.88319	8.1
107.04949	8.4
107.08590	55.8
109.06511	8.1
109.10135	18.9
115.67319	7.7
117.07023	30.2
119.08587	48.9
121.10124	29.7
125.09639	14.0
129.07010	9.0
131.08559	32.2
133.10135	43.6
135.11688	23.3
138.12807	8.2
145.10123	27.4
147.11728	19.7
147.59564	7.5
149.09592	20.4
149.13248	20.2
150.45694	8.0
157.10101	13.4
157.93604	8.2
159.11661	26.8
163.11188	18.7
177.12787	12.0
195.13823	12.8
197.13287	8.9
229.14337	12.3
242.70782	6.9
255.15811	42.1
256.57410	8.2
257.18942	19.2
269.17523	77.5
275.20117	54.9
286.20010	13.5
349.23645	49.6
367.24692	9.8
373.09131	14.5
403.13660	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	402.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01867	1.4
55.05512	3.1
56.05016	1.3
57.03436	4.3
58.06601	1.0
60.99189	0.5
67.05505	6.7
69.03433	1.5
69.07067	4.6
70.06593	3.2
70.69153	0.6
71.04984	3.6
71.08630	7.4
72.04533	1.0
72.08153	8.6
73.55044	0.5
79.05488	6.4
81.03413	1.1
81.07061	10.0
83.04981	2.1
83.08613	1.1
84.08157	2.3
85.02905	0.9
85.06549	1.2
85.08919	0.6
86.09715	1.3
91.05488	4.2
93.07041	4.6
95.04970	7.9
95.08607	5.2
97.06532	4.0
98.09696	17.8
99.04469	0.6
99.08095	9.1
102.09180	1.4
105.04481	0.5
105.07027	3.5
107.08576	3.1
109.06530	1.4
109.10152	1.4
110.09705	0.4
111.08077	0.8
112.08747	0.6
113.06014	1.0
113.09622	0.5
117.07033	1.2
119.08581	2.9
121.06535	0.6
121.10172	1.6
123.11735	0.7
124.11214	1.0
127.11175	0.6
128.10745	1.0
131.08565	1.2
133.10181	2.4
135.11737	0.6
137.09673	0.9
139.11166	1.0
141.12737	8.1
142.12267	8.6
145.10117	1.0
147.11710	1.1
149.09621	0.9
149.13333	0.6
151.11258	0.9
155.10710	0.9
157.12297	0.7
158.15405	0.6
163.11201	0.7
163.14758	0.6
165.12779	1.6
169.12270	2.1
173.13272	0.6
186.14912	1.1
189.12860	0.5
191.14363	0.8
205.12273	0.8
209.15475	1.8
226.18031	1.2
240.68314	0.5
241.18022	0.5
284.22208	1.1
323.66644	0.6
342.29993	0.8
348.29062	1.3
366.30096	10.1
367.30597	0.9
384.31100	44.3
385.31287	4.0
402.32172	100.0
403.32489	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	403.1025
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
52.50914	0.8
54.14322	0.8
55.01853	1.4
55.05506	3.7
57.03423	2.5
65.03925	0.9
67.05495	3.0
68.84038	0.9
69.03420	1.5
69.07076	2.3
70.06590	2.5
71.04990	1.7
72.08175	5.0
73.08475	1.2
76.19336	1.1
79.01858	2.6
79.05486	4.2
81.03422	1.4
81.07052	5.9
83.04988	2.5
83.08614	1.5
85.02895	2.4
85.06567	1.4
86.09696	6.9
90.29529	0.8
91.05476	3.1
93.07040	3.7
95.04971	1.6
95.08598	2.7
96.08145	1.2
96.59554	0.8
97.02868	1.0
97.06513	1.7
98.09702	5.4
99.04469	2.0
99.08088	2.0
105.07032	4.5
107.04955	1.1
107.08584	2.1
109.02826	1.0
109.10136	1.3
111.04392	1.1
111.08062	1.1
117.07072	1.0
119.04921	3.6
119.08542	2.1
120.05735	1.2
120.08118	1.1
121.02048	2.0
121.02855	17.7
121.03679	1.7
121.10134	2.1
123.08050	1.8
128.10707	2.1
129.01828	1.3
131.04883	1.2
131.08527	1.0
133.10124	3.7
135.08066	1.0
138.03131	1.0
142.12280	2.3
145.02864	2.5
145.09079	1.0
150.09868	1.2
159.09222	1.6
161.09610	2.2
161.13255	1.1
163.03896	3.4
165.01857	4.8
165.12715	1.3
167.07069	1.1
179.03358	1.4
179.10681	1.4
183.02957	1.6
187.03941	1.2
187.31436	0.8
189.09061	1.2
191.03468	1.0
195.02785	1.3
203.03412	1.5
205.04956	3.5
207.10164	1.3
207.13850	5.8
211.07449	1.1
213.05450	2.6
225.11255	4.2
227.07054	1.0
228.07529	1.2
229.04903	1.5
231.02898	3.5
235.07590	1.0
243.06465	1.3
247.05905	1.3
249.03827	1.7
255.06505	3.8
256.07315	5.6
267.06580	1.2
269.10776	1.8
271.06070	5.0
272.17374	1.0
279.06482	1.9
281.08035	3.3
283.05994	54.1
284.06735	34.4
284.22220	2.1
285.07547	3.0
287.11749	1.3
293.08206	1.0
295.05963	14.5
296.06616	1.6
297.07578	28.8
298.07932	2.8
305.07999	1.9
307.06033	1.3
308.06647	2.2
309.07526	11.4
310.07797	1.1
311.05826	1.8
311.09033	6.3
313.07043	62.0
314.07477	4.0
321.07556	12.7
323.05609	1.0
325.07111	8.1
327.08566	1.1
337.07047	36.0
338.07303	2.7
339.08633	6.3
343.08093	9.6
349.07098	13.2
366.30240	1.3
367.08109	74.1
368.08499	7.1
371.22617	2.9
384.30984	4.9
385.09149	34.9
385.31497	2.8
386.09494	3.4
402.32187	25.8
403.10217	100.0
403.32483	12.0
404.10410	8.1
404.20303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15642	1.2
55.01870	2.5
55.05526	1.3
57.07068	1.5
67.05488	2.7
69.03434	4.6
69.07077	2.3
69.82902	2.5
69.83229	2.5
70.06590	1.6
72.08164	4.8
77.03931	1.8
79.05486	2.6
81.07079	1.4
83.04987	7.6
85.02937	3.1
85.06565	3.7
86.09694	11.1
91.05480	14.8
93.07047	53.6
95.04948	8.4
95.08637	2.2
97.06499	1.4
98.22741	2.3
103.05482	1.8
105.07038	2.1
107.08580	3.0
109.06535	2.4
111.08079	1.5
113.06029	1.5
117.07085	1.5
119.08626	1.9
121.06509	100.0
121.10162	2.2
122.06837	2.9
127.07526	7.6
128.10802	1.4
129.10210	2.1
131.08562	1.5
138.65598	1.2
139.07535	3.3
141.05222	1.2
143.11761	1.6
144.09308	1.5
144.76814	1.2
145.10135	1.6
149.09630	4.3
155.10724	3.0
157.10110	1.5
159.11693	8.8
175.11185	3.7
177.12793	4.1
187.11140	3.9
193.12302	1.4
194.71707	1.3
205.12253	57.8
206.12553	3.2
207.06609	2.8
223.13297	20.1
241.14348	1.7
374.66443	1.6
403.13742	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	403.1964
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.03945	3.0
55.01874	2.4
55.05505	2.0
57.07049	1.4
64.51956	1.6
64.63253	1.7
67.05508	3.8
69.03430	3.6
69.07069	3.4
70.06590	2.2
70.63346	2.6
72.08161	13.4
73.22572	1.4
79.05527	2.1
81.07063	3.6
83.04991	7.8
85.02882	2.9
86.09718	14.9
91.05482	17.3
93.06467	3.2
93.07048	61.9
95.04971	8.9
95.08604	2.2
96.72231	1.4
97.06550	2.1
103.05459	2.7
105.04513	2.8
105.07022	2.6
107.08601	1.8
109.03917	1.6
109.06487	3.3
117.06998	2.3
121.06507	100.0
121.10101	2.6
122.06834	3.2
127.07572	10.3
128.10698	2.1
129.01801	2.9
129.07036	1.5
131.08560	3.0
133.10071	1.7
135.08022	2.9
135.11594	2.1
137.09592	2.3
139.07526	3.2
145.10106	3.1
149.09610	4.2
159.11696	9.0
175.03967	1.9
177.12656	3.3
187.11192	3.7
205.10287	2.8
205.12236	54.9
207.06514	4.7
221.92892	1.7
223.13277	20.0
238.10553	1.6
259.68491	1.6
403.28906	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	403.1966
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03961	0.7
55.05518	1.2
56.05033	0.7
60.04518	0.8
61.02924	0.6
67.05512	1.5
67.15566	0.7
69.03431	2.3
69.07064	3.5
69.39191	3.0
70.06587	3.6
72.08147	1.8
74.06093	2.5
75.05598	5.5
79.05499	2.2
81.03421	0.6
81.07056	3.1
83.04985	1.8
84.04508	1.9
84.08125	1.4
85.02916	2.9
85.04014	0.7
86.09710	100.0
87.04490	0.5
87.10040	1.2
91.05477	3.9
93.07040	5.6
93.50486	0.5
95.04983	1.6
95.08626	1.8
97.02877	1.6
97.06535	0.8
99.04457	1.4
99.61312	0.6
101.07180	0.7
102.05548	1.3
105.07040	8.4
107.04972	0.6
107.08605	9.5
109.06513	2.3
109.10139	1.6
110.09691	1.1
111.08091	0.7
116.07087	0.7
117.07011	2.5
119.04961	1.2
119.08572	3.4
120.06607	2.3
121.02866	3.6
121.06511	2.3
121.10152	3.8
123.08093	0.8
129.01808	0.6
129.07034	1.4
129.10217	0.7
130.05017	1.2
131.08566	3.3
133.06482	0.7
133.10135	2.3
135.08066	2.1
135.11674	1.2
137.09631	3.1
143.11800	23.2
144.09340	1.2
145.02840	0.8
145.06465	1.0
145.10152	6.4
147.04402	0.6
147.08061	1.7
147.11678	2.3
149.09618	4.2
149.13309	1.4
150.21097	0.5
155.10725	0.6
156.09329	1.2
157.10120	3.0
159.08066	0.8
159.11703	11.8
160.08846	0.8
161.09560	2.0
163.11157	2.0
165.09158	1.0
167.10690	2.5
169.10185	1.1
171.11267	11.3
172.05220	0.6
173.12866	1.9
175.03903	0.8
175.11200	5.3
177.12744	4.3
181.14807	0.6
187.11197	5.9
187.14384	3.4
189.01826	1.0
189.12492	1.8
193.12241	1.9
198.57712	0.5
201.05447	1.3
201.12320	1.4
203.13898	2.1
205.12242	12.3
207.06511	2.5
207.13821	2.6
215.13910	8.1
223.13298	23.0
223.15498	1.1
224.13599	1.0
229.04968	2.0
233.14972	14.7
233.17270	0.8
239.03537	0.7
239.17517	2.5
241.10571	1.3
241.14322	4.6
257.04431	1.3
284.06583	0.7
284.19699	4.6
285.03952	2.4
294.05084	0.7
307.06119	2.6
313.07062	1.0
333.07458	0.7
347.09167	4.8
367.07983	1.3
374.07642	0.9
375.08652	5.4
376.08643	0.7
385.24438	2.4
403.08093	23.1
403.19489	4.0
403.28772	0.9
404.08395	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	403.255
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29366	1.2
66.05423	1.4
69.07050	2.1
70.06601	2.2
71.45838	1.7
75.05593	5.4
86.09702	100.0
87.10020	2.0
120.06588	2.4
129.01834	4.7
138.53316	1.5
143.11786	29.4
151.07454	2.7
157.58427	1.8
171.11258	13.3
212.81300	1.7
215.13860	8.1
233.14954	21.7
239.17554	3.1
284.19672	6.8
347.09167	2.2
385.24399	3.5
403.07907	3.7
403.19788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98115	1.6
55.05529	2.0
58.06590	3.3
61.02909	1.8
61.91839	1.6
69.03420	4.5
70.06580	5.7
71.45895	2.1
72.08139	7.4
73.02909	1.8
75.79488	1.6
81.03399	2.0
81.07070	2.3
84.08137	2.4
85.02916	12.7
86.09705	14.3
87.04420	1.5
87.10028	3.6
88.07566	1.7
91.03947	1.7
91.05473	10.3
93.07037	4.1
97.02894	4.5
103.05444	1.9
104.99251	4.3
114.09151	1.6
119.04933	19.4
121.06479	3.2
122.06847	1.9
127.03943	2.5
128.10727	1.7
133.75771	1.7
143.11801	2.1
145.04948	2.6
147.04416	17.2
175.03903	41.6
180.08678	4.3
188.00883	1.6
192.04115	10.7
193.04738	2.5
207.06519	100.0
208.06822	4.0
225.07579	47.7
246.04114	1.8
247.12749	2.4
350.26633	1.9
386.28824	4.9
404.21841	2.9
404.30124	36.2
405.20618	1.7
425.26337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03731	0.6
61.02922	0.7
65.03905	0.8
69.03436	1.7
70.50580	0.7
70.50949	1.0
76.88944	0.6
79.05477	0.6
81.07052	0.7
85.02904	6.5
86.09694	2.5
91.05483	14.7
95.04951	0.6
95.08611	0.8
97.02898	1.4
105.07029	2.5
107.08569	1.8
109.02901	0.6
109.10162	0.6
118.04144	1.5
119.04948	25.4
119.08566	2.8
121.10152	1.4
123.04478	0.6
123.11695	1.7
129.03287	0.6
131.04883	0.7
131.08546	1.6
132.02071	1.0
135.08049	3.1
135.11646	0.8
143.08589	1.0
145.04918	1.1
145.10155	1.1
146.03622	0.7
147.04411	22.4
147.08032	1.3
147.11711	3.0
149.02333	1.0
149.09647	1.2
156.09315	2.0
157.03946	3.1
161.13185	1.0
164.04665	2.5
165.12578	0.9
171.11703	4.6
175.03908	47.3
176.04182	1.7
177.01846	1.2
179.07013	1.8
189.12738	3.9
192.04190	12.7
192.11089	0.6
207.06523	100.0
207.13818	13.8
208.06856	4.3
225.07579	34.1
226.07930	1.2
321.44678	0.7
357.05438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33378	0.5
52.72300	0.5
61.02912	0.9
65.03915	0.7
69.03423	1.6
69.88143	1.6
69.88491	0.6
73.53738	0.6
77.71074	0.5
81.03416	1.0
81.07042	1.2
84.28405	0.6
85.02904	10.3
86.09689	1.4
89.03873	0.6
91.05478	12.9
97.02878	1.7
98.22742	0.8
102.81873	0.5
103.05484	0.6
104.99272	0.6
105.07008	0.7
109.02882	0.8
118.04153	1.2
119.04941	23.2
119.08584	0.6
121.02895	0.6
123.11715	4.0
127.03905	1.5
132.02089	1.2
145.04944	1.3
147.04407	21.7
148.04652	0.7
149.02324	1.3
157.03987	3.4
164.04706	1.8
174.03242	0.6
175.03899	40.3
176.04199	1.5
179.06996	2.3
180.08682	1.6
189.12759	1.0
192.04152	12.1
207.06516	100.0
207.13824	2.6
208.06865	3.2
225.07574	42.2
225.14766	1.1
226.07861	1.3
275.87750	0.5
359.50290	0.6
386.28986	1.0
404.30008	1.5
405.17004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.1
69.03442	2.4
69.13341	8.3
70.06587	2.3
70.12861	1.2
72.08170	2.8
81.03399	1.6
85.02906	5.6
85.33087	1.3
86.09705	3.2
91.05486	10.5
97.02872	1.4
100.78809	1.6
100.79454	1.3
104.99310	1.8
113.52007	1.3
116.85001	1.3
119.04942	21.5
125.61993	1.3
125.62868	1.3
147.04416	22.0
148.04710	1.9
149.02304	1.9
157.03946	3.0
160.24342	1.3
175.03891	37.6
178.86816	1.3
179.07028	2.4
180.08656	2.6
192.04192	8.3
207.06520	100.0
208.06805	2.8
217.59599	1.3
225.07562	40.7
225.09659	2.6
230.63792	1.4
259.20700	1.5
262.98117	1.5
283.47571	1.5
386.29065	2.4
403.28482	3.2
404.21570	2.6
404.30331	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	404.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44736	0.5
56.96566	17.3
57.03410	0.5
66.68340	0.5
67.05502	1.2
68.56027	0.5
72.34074	0.4
73.31736	0.5
76.02792	0.5
79.05506	0.6
91.05465	0.7
94.04160	1.4
95.08617	0.5
98.97581	100.0
99.97932	1.0
104.99290	1.2
109.10147	0.5
116.98619	67.9
117.98978	0.6
122.03660	4.8
134.99658	25.4
137.05975	52.7
138.06270	1.0
140.00194	6.3
153.00699	1.8
158.01215	3.4
160.99031	0.8
164.92140	0.7
179.00163	2.3
193.01698	0.8
197.01266	2.3
198.02054	1.6
208.10120	0.9
211.02803	1.3
214.24684	0.6
220.00366	3.7
224.09518	1.7
226.11137	21.4
229.14462	0.9
235.02766	67.3
236.03093	2.6
238.01466	2.0
241.03842	0.9
242.10706	0.9
244.12196	8.8
249.12880	0.9
253.03839	89.5
254.04263	3.6
261.03088	0.6
262.98099	0.7
267.13721	1.5
268.12228	4.4
271.04843	3.9
276.05420	14.4
277.05875	1.0
280.12180	2.2
286.13434	0.9
329.12964	1.9
331.53305	0.6
344.15335	7.6
362.16339	1.8
404.17432	89.7
405.17798	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	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01867	3.6
55.05512	2.3
57.03434	4.1
60.04533	1.8
61.02917	5.7
64.88000	1.3
67.05502	4.4
69.03420	10.5
69.07059	3.5
69.79522	4.9
70.06600	1.8
71.04991	8.7
72.08153	3.5
73.02910	2.1
79.05502	6.2
81.03405	6.1
81.07050	15.6
82.47447	1.6
83.04976	3.3
85.02402	2.1
85.02905	33.1
86.09686	1.5
89.77518	1.3
91.03931	2.5
91.05483	16.7
93.07043	52.4
95.04968	6.3
95.08579	5.8
97.02906	12.4
97.06551	2.2
98.22740	1.6
99.04442	14.1
105.07034	18.2
107.04942	4.4
107.08594	9.6
109.02874	13.7
109.06516	12.2
109.10141	11.1
110.07059	1.3
111.04400	3.5
115.05015	2.3
117.07014	2.5
119.08581	81.6
120.08895	1.5
121.06515	5.5
121.10147	4.4
123.04407	2.8
123.08057	12.7
123.11694	2.5
125.05978	8.3
127.03905	14.1
128.06219	2.0
128.44270	1.2
129.06995	1.5
130.00269	1.3
131.08542	8.4
132.08109	3.2
133.06482	3.7
133.09167	2.7
133.10123	35.7
134.10472	1.7
135.08034	2.2
135.11697	2.6
135.14627	1.3
137.05952	2.6
137.09613	48.3
137.10666	2.8
138.10010	1.8
143.08568	5.4
145.04956	9.2
145.10130	2.5
146.07253	3.9
147.08051	13.3
147.11754	1.7
151.07520	4.8
151.11234	6.5
151.52116	1.4
159.09103	1.6
159.11731	1.6
161.09615	77.2
162.09972	2.4
163.11169	4.2
165.09111	5.2
165.12773	2.2
167.04883	1.3
171.11700	2.6
179.10681	20.9
180.08688	6.9
181.12206	4.3
187.08638	2.8
189.09129	5.7
189.12738	11.2
207.10170	40.4
207.13708	6.9
225.11220	100.0
225.14529	9.5
226.11574	5.0
239.08041	1.7
239.72377	1.4
242.13913	11.6
243.12279	55.9
245.12668	2.3
246.12305	4.6
263.95279	1.6
274.11908	2.9
279.05063	9.7
281.09125	1.6
299.10117	1.8
304.80438	1.7
309.08792	1.7
327.09540	3.7
344.22000	2.1
345.10672	4.9
366.93661	1.4
369.15576	1.8
373.10202	4.0
404.24515	2.7
404.33469	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	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.0
57.03438	3.1
61.02903	2.0
67.05513	9.6
69.03109	1.6
69.03442	8.2
69.48573	9.7
70.99987	1.9
71.04978	6.7
72.08166	4.0
74.93262	2.1
79.05496	10.8
80.79943	2.0
81.03416	3.0
81.06573	2.1
81.07059	37.3
83.04979	2.4
85.02906	17.3
85.06542	2.0
86.09712	2.1
91.05488	19.4
93.07046	9.7
93.41628	1.8
95.04965	4.9
95.08600	9.6
97.02891	6.6
99.04430	11.8
105.07034	26.8
107.04974	4.0
107.08615	6.4
109.06531	33.2
109.10158	7.4
110.09682	3.3
111.04444	6.6
117.06998	4.4
119.08582	74.8
120.08945	2.4
121.06516	3.3
121.10145	4.5
123.08070	97.7
124.08409	2.6
125.05991	2.5
133.06523	3.9
133.10139	30.9
135.04417	2.0
135.08087	2.9
135.09924	1.9
137.05986	6.3
137.09634	30.7
143.08603	5.4
145.04950	5.6
145.10133	4.0
147.08031	14.3
147.11842	2.6
151.07574	12.3
151.11165	9.3
153.57425	2.0
161.09621	41.5
163.07567	12.1
163.11200	4.2
165.09123	32.2
170.11783	4.3
179.10666	52.7
180.08707	2.5
181.12177	10.3
183.10172	3.4
189.09126	17.1
189.12776	5.3
207.10176	94.0
207.13492	9.4
208.10632	2.9
216.96713	2.0
225.11227	100.0
225.14555	11.7
226.11641	3.5
232.68829	1.7
242.13745	2.0
261.02826	1.9
312.09454	1.8
386.25400	3.2
403.32233	2.4
404.24643	3.9
404.32901	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77627	0.9
59.60229	0.8
60.09212	1.0
60.80855	0.8
67.05504	0.9
69.03430	2.1
69.50792	1.0
69.51129	4.1
70.06590	3.2
72.08115	1.2
79.05472	1.4
81.07054	1.8
84.08119	1.1
84.18243	1.1
85.02906	7.4
85.06547	1.3
86.09713	4.9
91.05475	3.6
93.07053	1.7
97.02841	1.3
105.07047	6.9
107.08590	2.6
109.06535	1.4
117.07009	2.4
119.08587	9.5
120.08027	1.2
121.10148	1.8
123.11721	5.9
129.06987	1.3
129.10246	1.0
130.07787	1.1
131.08583	3.2
133.06499	4.9
133.10127	2.0
143.08592	2.3
145.10114	12.7
147.08070	2.1
147.11676	17.4
149.09634	5.5
151.37331	1.0
156.09355	2.3
159.11685	2.9
167.10568	1.2
171.11731	5.9
173.12866	1.2
174.10437	1.5
176.80679	0.9
189.12749	100.0
190.13095	4.6
207.06538	2.2
207.13824	13.8
212.95605	1.1
215.69157	1.2
225.14809	2.5
256.48398	1.0
273.04163	1.2
316.63867	1.0
405.17346	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05503	2.1
57.03421	1.4
61.02924	1.7
67.05499	2.9
67.87313	0.7
69.03426	4.2
69.27028	4.2
70.06577	1.3
71.04989	2.3
76.82262	0.7
79.05495	3.0
81.03406	1.7
81.07063	5.0
83.04987	2.3
85.02899	10.4
91.05489	4.3
93.07059	8.4
95.04963	2.7
95.08604	3.7
97.02886	2.8
97.06547	2.2
99.04448	2.2
105.07022	4.7
107.04957	1.8
107.08567	2.2
108.15871	0.7
109.02879	2.1
109.06495	5.9
109.10164	2.4
111.04401	1.5
119.08572	14.0
120.35587	0.9
121.06467	2.0
121.10158	4.3
123.08069	100.0
124.08386	2.9
125.06008	2.7
127.03893	2.2
131.08600	1.1
133.10121	8.4
135.08110	1.2
135.11678	1.2
137.09613	10.4
143.08574	1.9
145.04965	2.4
145.10078	1.6
147.08052	2.8
147.11723	1.3
149.09636	1.4
151.07512	1.3
151.11183	4.0
161.09642	12.3
161.13260	1.0
163.11197	1.7
165.09079	1.6
167.10669	1.7
179.10637	5.5
180.08698	1.0
181.12230	8.0
189.09091	0.9
189.12772	2.2
207.10167	13.1
207.13791	3.9
225.11226	47.0
225.14728	17.0
226.11543	2.1
226.15228	1.0
239.08107	0.9
242.13828	1.3
243.12318	3.9
245.12831	1.1
267.07755	1.3
279.05112	4.1
299.10223	1.2
327.09784	2.5
337.54315	0.7
338.81323	0.9
345.10889	3.3
368.87527	0.9
373.10254	2.6
404.24619	1.0
404.33420	1.8
422.28479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36701	1.1
51.72092	1.5
52.35920	1.4
55.05502	1.8
57.07080	3.1
60.45885	1.2
61.02928	2.5
67.05510	3.2
69.03435	4.5
69.13901	7.4
69.22191	1.3
70.06593	2.7
79.05498	3.0
81.07060	13.8
85.02909	88.9
86.03259	1.6
86.09722	2.1
91.05479	11.3
93.07021	2.8
93.84285	1.2
95.08617	5.8
97.02916	3.9
105.07041	6.9
106.78883	1.3
107.08582	4.1
109.06544	1.9
109.10162	11.2
115.62856	1.4
117.07065	1.7
119.04954	17.4
119.08572	9.0
121.10140	7.8
123.11713	100.0
124.12059	3.9
125.06009	5.7
127.03940	1.6
131.08543	1.6
133.06529	1.4
145.04958	3.3
145.10149	3.7
147.04401	12.5
147.08090	2.2
147.11699	11.8
149.09645	6.4
151.07585	3.7
156.09326	1.9
157.04019	1.9
165.12779	2.3
171.11737	2.1
175.03928	28.9
176.04277	2.2
180.08646	1.5
189.12733	22.4
192.04205	7.7
207.06528	72.5
207.13815	66.0
207.15800	1.7
208.06906	3.8
208.14166	2.9
225.07582	29.4
225.14903	17.7
226.07811	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67579	1.0
55.05507	1.8
59.04999	2.1
61.08409	0.9
69.03419	1.5
69.53966	1.0
70.18289	2.2
71.04980	1.4
79.05504	1.3
83.04967	1.3
85.02905	7.9
85.06548	1.1
86.09734	1.7
91.05482	4.9
93.07037	3.3
95.04960	1.6
95.08597	2.9
105.07034	9.9
107.08585	11.4
109.06528	1.5
109.10136	1.6
111.04494	1.1
112.06316	1.1
117.07050	1.8
117.28299	0.9
119.08580	13.2
121.10146	10.6
123.08080	2.5
123.11703	4.6
125.09678	1.5
130.07855	1.2
131.08583	8.1
133.10161	4.7
135.08052	16.4
135.11707	2.9
137.09622	2.4
141.07019	1.5
142.07788	1.1
143.08553	7.4
145.10117	5.8
147.08040	12.8
147.11697	12.2
149.09605	7.5
156.09341	12.4
159.11641	2.0
161.13258	5.1
163.11116	1.9
171.11699	28.7
172.12056	1.9
174.10390	1.5
175.03929	2.3
189.12762	20.7
190.13123	1.3
199.99104	1.1
207.06506	5.3
207.13799	100.0
208.14201	3.7
225.07532	2.3
225.14809	1.2
269.58127	1.0
289.30615	1.2
330.42578	1.0
404.08557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17907	0.5
55.01862	1.1
55.05505	1.8
57.03448	1.2
57.07071	0.7
59.04998	1.0
61.02920	1.2
67.05516	3.2
69.03428	3.4
69.07078	2.0
69.54344	2.3
71.04985	2.2
79.05490	2.8
81.03416	1.2
81.07047	6.1
81.22414	0.5
83.04966	1.2
85.02908	9.2
85.06543	0.9
90.18716	0.5
91.05476	2.8
91.83525	0.5
93.07043	7.6
95.04965	2.3
95.08601	14.2
95.09200	0.7
97.02899	3.0
97.06517	0.9
98.22740	1.0
98.31015	0.6
99.04458	3.5
105.07033	12.6
107.04903	0.8
107.08598	4.6
109.06507	2.1
109.10144	2.3
111.08064	1.4
113.16782	0.6
117.06995	1.0
119.08580	11.1
121.06506	2.8
121.10155	3.4
123.08071	12.8
123.11691	1.1
125.75641	0.5
127.03888	1.1
128.06233	0.9
131.08530	1.1
133.06490	4.2
133.09169	1.0
133.10124	12.3
135.08029	0.6
135.11691	16.2
136.12024	0.8
137.05894	0.9
137.09586	1.3
137.13219	1.3
143.08551	2.3
145.04973	1.5
145.10117	1.8
147.08055	1.8
147.11694	5.5
148.12079	0.6
149.09612	5.8
149.13315	0.6
151.07565	4.5
151.11169	1.6
156.09348	1.9
159.11678	1.4
161.09636	9.1
161.13258	20.5
163.11179	1.7
165.12724	0.7
171.11674	2.9
174.10391	1.4
176.05206	0.7
177.12729	1.0
179.10715	2.8
179.14310	6.1
189.09183	2.9
189.12746	17.2
207.10165	6.8
207.13799	100.0
208.14110	5.1
211.16956	1.7
216.63318	0.6
225.11368	7.3
225.14833	25.1
226.15181	1.6
264.81161	0.8
279.13470	0.6
404.20200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2796
Annotation	Yuzurine
Peak:m/z	Relative Intensity
55.05508	6.4
55.05759	1.6
58.30933	2.1
67.05505	4.8
70.06579	6.2
81.07035	4.3
82.06607	2.4
84.08162	9.2
92.92052	1.6
95.08595	2.3
96.08124	3.9
98.09635	2.3
100.11252	4.8
100.87894	1.6
104.99277	3.9
110.09676	2.9
111.10302	1.5
112.11226	6.5
113.86377	1.8
123.04424	9.7
124.11217	2.2
147.04465	1.8
182.15410	3.5
210.14879	3.1
262.98294	2.2
268.21396	2.7
276.19733	3.8
316.22604	2.0
322.99084	2.6
344.25848	49.5
345.26062	2.7
387.49918	1.9
404.27972	100.0
405.28262	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	404.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02410	18.1
55.05497	24.4
56.96550	18.8
59.26035	20.1
63.48846	17.4
67.05501	85.6
71.08617	22.7
80.94855	37.7
81.07068	46.9
83.08614	43.0
89.62540	17.3
91.05508	24.4
93.07034	39.2
95.08633	27.9
98.97595	58.4
104.99283	75.2
107.08563	27.9
109.10143	53.9
113.09606	20.0
116.98618	37.0
119.08608	20.9
131.86578	19.0
137.05991	45.4
164.92000	39.9
168.59647	21.6
175.11211	21.4
188.27805	17.5
229.14391	55.6
235.02826	36.1
253.03877	68.0
262.98212	41.1
277.21667	58.4
295.22610	23.8
322.98840	27.8
351.25104	59.3
351.93259	26.5
369.26291	100.0
370.26633	29.9
404.21216	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	32.1
56.26207	8.2
57.03450	11.2
62.31015	8.1
63.89663	7.4
67.05519	62.9
69.07068	16.2
69.13100	10.3
71.08624	33.6
71.44901	10.5
77.54651	8.1
79.05476	44.1
81.07047	82.5
83.04996	15.8
83.08622	18.3
83.84880	7.9
85.06525	11.2
88.07599	12.7
91.05475	28.1
93.07034	51.0
95.08610	28.4
97.06514	10.6
97.10158	30.0
99.08095	37.7
100.66013	8.5
104.99291	31.4
105.07030	16.6
107.08583	36.3
109.10143	21.6
119.08594	19.6
121.10197	12.8
122.00985	8.2
125.09649	31.1
131.08536	9.6
133.10138	17.1
140.14345	16.6
147.11723	10.0
149.13246	26.2
151.11168	22.5
159.11736	16.7
164.92015	18.3
173.11694	29.4
173.13095	8.3
188.39072	8.5
189.11241	23.7
195.13826	10.6
200.20076	24.2
227.12787	31.0
229.14400	28.7
244.22673	11.3
245.13966	21.4
262.98056	17.7
269.17459	100.0
269.49915	10.8
277.21652	47.4
286.20169	18.6
315.13611	9.9
322.99026	13.6
351.25195	62.5
404.13974	19.0
404.31760	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	26.9
55.05501	29.4
57.07069	11.7
65.92830	6.5
67.05493	35.5
69.07058	9.2
70.18051	18.2
70.18410	6.0
71.08631	19.9
79.05492	24.9
80.94855	7.8
81.07069	47.1
83.04966	11.1
83.08614	21.1
85.06564	6.6
85.10174	14.7
87.72263	5.9
91.05488	35.4
93.07021	23.5
95.04934	8.3
95.08588	25.4
97.06528	10.7
99.08081	9.5
104.99270	29.7
105.07016	17.5
107.08602	11.7
109.10152	20.0
111.08083	37.6
113.09635	13.3
119.08585	16.9
121.10121	14.7
123.08067	8.5
133.10135	18.4
135.11681	14.2
147.11694	20.2
149.09622	7.8
151.11185	12.7
164.92038	18.5
165.12784	30.0
171.11780	6.7
203.10637	10.0
262.98157	20.5
263.12674	10.5
277.21600	100.0
278.22110	6.8
295.22650	27.8
314.95248	6.5
322.99136	9.1
334.48090	7.2
351.25232	89.9
369.26407	64.5
395.02670	6.6
404.20370	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	405.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67723	1.5
56.17453	1.6
60.05643	6.2
60.08694	2.1
62.06084	25.6
63.06421	3.5
63.88780	1.6
66.44041	1.6
70.06584	21.4
72.08136	3.5
72.80980	1.5
74.54830	1.6
86.09706	6.1
91.93673	2.0
94.93020	4.9
101.40089	1.7
102.05530	2.2
116.07092	8.0
122.09064	1.7
122.96581	2.0
144.73506	1.9
168.04665	1.9
170.05994	2.5
174.89520	3.6
175.11903	38.5
175.13315	3.2
189.05478	3.0
195.06456	4.0
196.04839	21.9
202.89085	22.6
207.06329	1.8
212.85274	8.7
213.07491	100.0
214.07951	3.0
219.03528	1.7
220.17824	2.1
231.07634	7.2
248.89519	2.3
268.94705	5.8
290.16971	1.8
306.90228	13.0
405.09241	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2248
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05513	0.8
56.96588	1.0
67.05511	1.1
70.05173	1.5
70.06617	1.1
71.08652	0.9
71.72473	0.8
72.08167	1.8
79.05519	0.8
81.07071	3.0
82.07410	1.0
84.08120	0.8
91.05484	3.1
93.07088	1.1
98.97583	5.5
104.99275	5.1
105.07072	1.0
116.98611	3.6
117.07011	2.1
118.07384	1.0
131.08577	1.2
134.99702	1.6
136.81789	0.8
137.06023	2.4
138.06334	1.5
144.76129	0.7
176.12901	1.1
235.02844	2.7
236.03194	2.3
243.55182	0.8
247.00526	0.8
253.03908	2.4
254.04326	3.2
262.98242	1.8
300.24191	1.0
322.99323	0.9
329.07901	1.1
330.08414	0.8
341.00470	1.1
345.29889	5.9
373.10294	2.8
405.22571	100.0
405.31830	5.3
406.22946	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	405.225
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05520	0.5
67.05493	0.6
69.63889	1.8
76.96360	0.4
81.07053	0.7
81.80695	0.4
82.07372	0.5
89.40452	0.4
91.05489	0.8
91.32712	0.5
93.07037	0.9
95.04976	1.1
95.08614	1.1
95.68185	0.5
99.53436	0.5
104.99273	1.9
105.07018	0.6
109.10133	0.5
117.07050	0.5
143.72197	0.4
179.14319	0.6
247.00098	0.5
262.98108	1.0
322.99045	0.7
331.26227	3.4
388.21332	0.4
405.22470	100.0
406.22772	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
67.05484	0.4
69.28840	2.0
95.14516	0.3
104.99280	1.2
109.10139	0.4
136.01173	0.4
179.28241	0.3
247.00481	0.4
262.98260	0.8
292.98831	0.4
340.99927	0.6
405.22458	100.0
406.22784	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	405.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44467	0.8
64.31421	0.8
67.05488	2.1
71.46757	1.0
72.08159	1.1
79.05499	1.2
81.07061	1.1
91.05502	2.2
93.07062	1.2
95.08609	1.3
97.32856	1.1
104.99297	6.4
105.07063	1.6
105.32705	0.9
120.94850	0.8
131.08636	1.1
151.07535	3.3
152.07907	1.4
157.93958	0.9
164.95560	0.8
262.98270	2.0
270.11566	0.9
296.94559	0.9
300.28897	2.1
313.21704	1.7
322.95172	1.0
322.98816	1.3
341.33569	1.1
405.22455	100.0
405.30750	2.5
406.22806	7.3
406.35263	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
61.44467	0.8
64.31421	0.8
67.05488	2.1
71.46757	1.0
72.08159	1.1
79.05499	1.2
81.07061	1.1
91.05502	2.2
93.07062	1.2
95.08609	1.3
97.32856	1.1
104.99297	6.4
105.07063	1.6
105.32705	0.9
120.94850	0.8
131.08636	1.1
151.07535	3.3
152.07907	1.4
157.93958	0.9
164.95560	0.8
262.98270	2.0
270.11566	0.9
296.94559	0.9
300.28897	2.1
313.21704	1.7
322.95172	1.0
322.98816	1.3
341.33569	1.1
405.22455	100.0
405.30750	2.5
406.22806	7.3
406.35263	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	405.225
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
67.05486	0.6
69.70308	1.7
70.06589	0.9
81.07058	1.0
84.48174	0.5
90.16937	0.4
90.61256	0.4
91.05440	0.7
91.74046	0.5
93.07037	0.7
95.08638	0.6
96.01877	0.5
101.98691	0.4
104.99262	2.4
107.08595	0.6
108.13470	0.4
117.07037	0.6
120.13750	0.5
120.21304	0.5
151.07559	1.3
153.13683	0.5
167.95674	0.5
262.98270	1.2
270.17972	1.2
280.84375	0.4
300.28833	0.9
405.22464	100.0
406.22806	7.9
406.35333	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.225
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.6
69.70308	1.7
70.06589	0.9
81.07058	1.0
84.48174	0.5
90.16937	0.4
90.61256	0.4
91.05440	0.7
91.74046	0.5
93.07037	0.7
95.08638	0.6
96.01877	0.5
101.98691	0.4
104.99262	2.4
107.08595	0.6
108.13470	0.4
117.07037	0.6
120.13750	0.5
120.21304	0.5
151.07559	1.3
153.13683	0.5
167.95674	0.5
262.98270	1.2
270.17972	1.2
280.84375	0.4
300.28833	0.9
405.22464	100.0
406.22806	7.9
406.35333	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
68.43244	0.7
81.07043	1.7
95.08602	1.2
95.87094	0.6
105.76773	0.7
113.00005	7.3
121.10160	0.9
121.40488	0.7
124.88028	0.6
169.02597	7.7
193.12029	0.8
223.13007	0.7
235.13129	1.0
253.14189	2.0
307.18665	1.2
308.30609	0.7
319.18707	3.5
405.26105	100.0
406.26395	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	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08160	0.7
51.86340	0.7
55.01869	3.7
55.05503	2.8
56.05033	8.3
57.03439	6.2
58.99585	13.6
61.01142	1.2
67.05533	1.0
68.05029	2.1
69.07068	6.2
70.02946	0.8
70.06581	1.9
72.08141	3.1
73.01129	2.3
74.00645	1.5
74.06058	0.8
76.02227	28.2
76.03983	2.3
79.05497	4.2
81.06573	1.3
81.07052	25.1
82.06592	1.0
83.06096	3.1
84.04502	32.6
84.08146	1.9
85.01126	4.3
86.00651	5.6
86.09705	25.1
86.99059	7.7
87.02689	8.2
87.10046	1.2
88.02204	2.6
93.04543	0.9
93.07015	1.2
95.04949	0.9
95.06058	0.8
95.08604	4.6
96.04505	0.9
96.08175	1.2
97.01112	1.7
97.06518	2.5
98.09694	15.6
99.08083	5.4
101.00572	1.2
102.05559	5.1
105.07018	2.3
107.08545	0.7
110.07160	11.2
110.09698	2.4
111.08105	1.1
112.03975	4.2
113.04229	7.6
114.03766	0.9
115.05798	2.1
115.98063	0.8
116.01675	27.4
120.08114	1.2
122.07151	3.8
122.09649	1.9
123.08097	1.5
127.05795	2.5
129.06564	4.8
129.07401	1.0
129.10254	1.2
130.04987	8.7
130.06888	5.8
130.08618	1.8
139.05760	1.6
142.03232	2.9
143.02750	1.0
144.01143	9.8
145.06013	1.7
149.09616	0.7
156.08426	23.6
156.10202	14.4
157.06824	9.4
162.02200	27.5
167.05319	0.8
167.06944	1.7
167.09271	1.6
170.02612	0.8
171.11290	1.3
173.13307	0.9
174.09491	12.0
178.06174	1.1
179.04819	9.5
189.03293	2.2
191.65216	0.7
195.08723	3.1
209.11812	0.8
210.11282	2.8
215.04846	0.9
216.06892	5.9
221.29060	0.8
226.15292	2.0
233.05917	2.8
245.05946	1.1
259.11118	100.0
260.11429	3.4
277.12115	0.9
285.12650	1.4
308.09311	1.0
313.12039	4.9
331.13187	4.6
388.15244	1.0
406.16547	4.3
406.90515	0.8
433.50864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49593	0.6
68.42174	0.5
69.07074	0.7
69.40083	2.7
70.06584	0.7
72.08173	0.7
79.05524	0.7
79.08682	0.5
81.07055	0.9
86.09103	0.6
91.05484	1.7
93.07043	0.7
98.09656	0.8
104.99256	1.5
107.04952	2.3
108.05755	2.1
109.06496	1.1
125.09636	0.7
135.04405	1.0
137.05995	1.0
144.30681	0.6
151.07547	100.0
152.07886	2.8
165.09126	0.8
177.09064	0.7
198.96191	0.6
215.10701	1.2
233.11687	1.7
262.98053	1.0
282.39478	0.6
315.88037	0.6
353.17728	0.9
359.01654	0.6
406.25150	0.7
406.29581	2.1
407.23901	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01886	0.8
55.05515	10.6
57.03434	1.4
59.04998	0.9
67.05497	3.1
69.03432	1.7
69.07053	1.9
69.48038	2.0
69.48432	1.4
70.06596	1.4
71.04987	3.9
72.08134	1.0
79.05488	2.5
81.07060	3.7
83.04979	7.6
83.08618	8.6
85.02905	6.4
85.06546	1.5
86.09711	2.0
91.05476	1.3
93.07044	3.2
95.04970	59.7
95.08599	2.4
96.05263	1.0
97.02897	1.8
97.06506	1.7
97.10165	3.0
98.09676	0.8
98.23465	1.5
99.04457	16.7
99.08064	0.9
105.07028	2.8
107.04964	0.8
107.08605	5.2
109.06516	2.4
109.10173	5.6
111.08073	2.6
113.09635	1.0
117.07070	0.9
119.08575	2.0
120.08131	0.9
121.02895	0.8
121.10124	2.8
123.08053	1.0
123.11705	1.7
125.09644	4.1
127.03912	1.6
128.10719	2.6
131.08568	2.2
133.10143	8.7
135.08044	0.9
135.11760	0.7
137.09546	0.9
145.05016	1.2
145.10106	1.0
147.11664	1.5
149.13226	2.1
151.10049	1.2
151.11180	15.1
153.09114	22.7
163.14771	1.1
167.14313	18.5
170.11748	1.2
173.13332	5.2
191.14304	5.5
209.15367	100.0
210.15747	4.7
211.56734	0.7
227.16399	6.2
242.14198	0.7
262.91788	0.8
263.40195	0.8
287.19711	1.8
346.23972	1.1
371.20499	1.2
388.24792	1.2
402.46396	0.8
406.25833	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.1
56.05037	4.2
57.03436	3.6
57.07092	2.8
58.66931	3.2
58.77118	2.7
61.02937	3.3
67.05502	10.7
69.03439	7.3
69.07074	17.0
69.82341	4.8
70.06599	49.3
71.05018	5.7
71.06920	3.5
72.08158	18.5
79.05494	18.2
81.03415	14.9
81.07059	45.2
83.04987	7.6
83.08622	7.0
84.04523	8.2
84.08147	61.5
85.02894	28.3
85.06558	5.7
86.09699	20.8
88.03986	3.2
88.33557	3.5
91.05476	16.3
93.07047	30.5
95.04962	13.1
95.08616	29.2
97.02898	5.9
97.06534	13.5
98.09710	4.4
98.22730	4.4
99.04463	4.5
99.08093	4.5
105.07030	46.3
107.04939	2.8
107.08606	56.0
109.06527	95.0
109.09517	3.7
109.10139	17.6
110.07153	9.8
111.08099	5.7
115.07686	3.3
117.07050	8.8
118.06860	11.2
119.08597	27.6
120.08134	14.1
121.06497	5.6
121.10143	52.7
121.10952	2.9
122.02773	7.6
123.08086	7.6
123.11700	7.2
125.06016	2.9
125.09619	5.6
127.03927	5.5
129.10233	41.7
130.06554	5.1
131.08562	23.9
133.10133	38.9
135.08087	9.4
135.11702	25.2
136.07553	3.6
137.09668	8.0
139.11255	5.5
143.08661	3.4
145.04965	3.5
145.10112	14.3
147.11681	63.4
149.09656	14.9
149.13287	33.2
151.11203	25.1
153.09148	5.0
158.10927	6.7
158.79887	3.4
161.13283	12.2
163.11182	6.5
163.14844	22.6
165.12750	5.2
166.08661	4.1
169.12228	59.2
169.13527	4.5
170.12599	3.8
171.11574	2.8
173.09660	3.6
173.13268	78.2
175.14870	12.4
179.14467	4.1
180.06934	4.7
191.10687	7.3
191.14314	100.0
193.12280	11.1
199.10721	6.6
201.57706	3.3
209.11835	17.3
209.15373	49.0
227.12959	5.8
227.16423	98.8
242.18652	4.7
259.11121	14.0
267.15997	7.2
285.16986	3.5
339.09558	4.4
379.08344	3.2
388.27426	3.1
389.13498	11.6
406.09628	10.9
406.27673	5.0
407.14371	7.4
407.26926	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
56.23516	1.9
67.05502	2.9
69.03419	3.7
69.07064	6.8
70.03086	4.3
70.03429	2.3
70.06601	5.8
72.08156	4.7
79.05477	6.7
81.07047	7.7
83.06097	12.4
84.04499	14.7
84.08144	3.4
85.02910	11.0
86.09710	24.8
91.05477	12.0
92.02508	1.8
93.07049	17.3
93.43814	1.7
95.04964	3.2
95.08593	5.6
97.02895	2.1
97.06578	2.8
98.09689	2.6
105.07018	19.8
107.08600	26.0
109.06494	3.2
109.10159	2.1
115.05448	2.4
117.07026	4.9
119.08575	18.9
120.08095	28.3
120.08911	3.2
121.10132	8.8
127.03971	1.9
129.06650	4.7
130.07777	2.0
131.08565	46.8
132.10197	5.3
133.10133	30.3
135.08044	5.3
137.09641	3.2
143.08589	5.1
145.04976	3.1
145.10117	15.7
147.11691	44.5
149.13269	7.3
153.09108	2.9
158.10849	9.1
160.19745	1.8
163.14833	2.6
166.08640	12.2
167.06960	2.5
173.13260	100.0
175.14841	8.8
180.15813	1.9
180.74170	2.0
182.48637	2.1
184.72281	1.7
186.09152	2.3
191.14310	82.2
192.14668	4.1
196.14435	9.9
197.12836	4.6
209.15390	9.3
214.15514	6.0
224.14015	3.5
227.16393	2.1
230.12811	3.7
231.11342	4.4
242.15010	3.2
248.13913	2.2
332.84760	2.0
389.21796	6.7
406.26474	2.7
407.16669	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.5
57.03439	3.5
64.30260	1.2
64.75789	1.5
67.05500	4.7
69.03436	6.3
69.07070	4.9
69.49934	1.9
69.50330	2.9
70.06603	3.0
71.04987	1.6
72.08155	2.0
79.05495	3.1
81.07058	5.4
83.04980	4.3
83.08629	2.0
84.08070	1.5
85.02908	7.6
85.06564	1.4
86.09708	2.5
91.05505	3.0
93.07044	5.0
95.04942	2.4
95.08607	6.1
97.02919	2.0
97.06528	2.7
98.09727	1.7
99.04450	1.3
99.56993	1.2
105.07024	3.3
107.05000	1.3
107.08598	16.6
109.06530	2.8
109.10163	10.5
110.09727	1.5
117.07090	1.6
119.08604	5.0
121.02827	1.3
121.06569	1.6
121.10154	12.2
123.08092	4.1
123.11728	4.7
124.08469	1.5
124.24746	1.2
125.09637	5.3
127.03965	1.3
131.04991	1.4
131.08562	4.2
133.10144	6.2
135.08046	2.7
135.11729	4.6
137.09625	7.7
138.09952	1.6
142.12241	1.3
145.10144	1.6
146.11784	1.7
147.11647	3.4
149.09634	4.2
149.13284	9.5
151.11191	15.2
153.12788	1.5
156.03455	1.4
163.14827	9.6
165.12711	1.4
169.12259	5.0
170.11787	3.0
173.13239	13.2
191.14308	37.4
191.15932	2.5
209.15378	18.6
225.11333	1.5
226.21695	1.8
227.16422	100.0
228.16823	5.4
269.10498	1.3
269.22806	1.5
388.25040	2.9
406.25763	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
54.84938	0.8
55.01873	1.6
55.05513	2.3
56.05039	1.2
57.03433	2.2
57.07071	2.0
58.99590	3.0
59.05019	1.1
61.02912	1.1
67.05510	2.9
69.03428	3.7
69.07068	4.4
70.06591	1.9
70.87216	1.1
71.04993	3.5
76.02229	4.3
79.05497	6.2
81.07056	11.4
83.04988	2.3
83.08629	1.0
84.04504	4.9
85.01109	0.9
85.02904	8.9
85.06536	2.0
86.00703	0.9
86.99056	1.0
87.47174	0.9
91.05470	10.2
93.07045	19.3
95.04971	1.3
95.08588	5.9
97.02902	2.4
97.06572	2.1
98.09700	2.1
99.08111	1.1
102.05576	1.0
105.07034	20.9
107.08596	27.7
109.06522	1.6
109.10195	1.5
111.08053	1.4
116.01695	3.1
117.07023	5.6
119.08591	20.1
121.06477	1.0
121.10165	10.7
123.08077	1.8
128.06419	0.8
129.07010	1.4
130.05025	1.5
130.07788	1.3
131.08572	51.1
133.10135	11.7
134.10497	1.0
135.08049	12.9
135.11682	2.9
143.08601	4.1
144.09349	2.6
145.04993	2.0
145.10135	14.3
147.11679	5.9
149.09689	1.3
149.13303	2.5
156.08452	3.6
156.10291	1.1
157.06848	1.9
158.10942	9.6
159.11456	0.9
161.13243	18.4
162.02216	3.1
163.14778	8.7
171.11673	1.7
173.13268	100.0
174.09532	2.4
174.13591	2.8
175.14853	3.2
179.04843	1.3
179.14343	1.8
191.14314	85.2
192.14644	3.4
209.15390	2.0
247.12045	0.8
253.97714	0.9
259.11139	17.9
279.74091	1.0
331.13440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05505	5.8
56.05034	2.0
57.03434	3.6
59.04980	2.2
61.02930	2.0
67.05495	5.0
69.03423	6.4
69.07067	7.8
70.06599	7.5
71.04983	5.9
71.44859	1.7
72.08144	6.6
79.05481	7.0
81.03416	2.9
81.07060	15.5
83.04974	4.4
83.08640	2.8
84.04507	3.5
84.08121	3.2
85.02907	15.4
85.06544	3.9
86.09713	13.3
90.34142	1.6
91.05482	8.4
93.07041	14.0
95.04967	12.7
95.08617	8.7
97.02872	3.3
97.06525	10.7
98.09679	2.9
99.04443	4.1
99.08075	4.5
100.28226	1.4
101.07148	1.7
104.05351	2.7
105.07021	15.7
107.08600	20.8
108.08936	1.8
109.06520	21.5
109.10161	10.8
110.07117	1.7
111.08083	2.0
115.07556	2.6
117.07012	4.4
119.08569	10.5
120.08104	13.1
121.06548	1.9
121.10147	41.4
123.08080	5.5
123.11694	4.2
125.09641	9.2
127.03855	1.8
127.07510	1.6
131.08565	12.7
133.09180	2.8
133.10136	42.0
135.08043	5.6
135.11684	4.9
136.07596	2.3
137.09608	5.0
139.11153	3.5
145.04985	3.0
145.10107	6.0
147.04451	1.5
147.11670	21.3
149.09569	2.8
149.13248	8.5
151.11186	13.5
153.09142	8.0
158.10912	3.0
163.07587	2.2
163.14807	6.8
164.07356	4.6
165.12737	2.8
169.12286	2.2
173.13260	31.7
174.16905	1.8
191.10605	2.1
191.14326	52.2
209.15372	62.5
210.15616	3.1
227.16423	100.0
228.16776	4.0
261.88818	1.5
269.09543	1.5
388.27139	12.2
406.26364	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	406.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01868	2.2
55.05513	7.6
56.05025	1.7
56.32452	1.1
57.03434	5.6
57.66979	1.2
58.06596	4.4
60.04517	3.8
61.02932	4.9
65.03964	1.3
67.05500	19.2
69.03423	15.1
69.07078	8.4
69.49944	4.9
70.06586	21.4
71.05000	5.6
72.08142	6.1
73.02924	2.2
75.89792	1.1
79.05490	7.8
81.03406	8.0
81.07057	24.4
83.08620	4.7
84.04495	3.5
84.08138	4.1
85.02901	43.0
85.06570	1.5
86.06083	1.2
86.09702	42.5
87.04472	3.9
90.05070	1.3
91.03958	2.9
91.05473	2.5
93.07038	14.4
95.04966	2.4
95.08599	22.8
97.02889	14.5
97.06554	3.7
98.09706	2.0
99.04464	4.8
101.02422	1.2
101.07156	3.0
105.07048	4.5
107.08585	9.0
109.02901	4.4
109.06519	5.4
109.10161	14.4
110.09707	1.5
112.11246	1.6
115.08727	2.0
116.71712	1.3
119.08598	3.5
120.08111	8.1
121.06580	1.2
121.10116	8.8
123.11699	2.3
126.12790	1.4
127.03918	7.4
129.10255	2.6
131.08589	3.1
133.10107	7.9
135.08055	1.3
135.11696	4.7
137.09625	1.2
145.05011	4.2
147.11685	3.4
149.13245	3.0
153.09096	2.1
165.12762	1.6
166.08710	1.7
173.13217	6.1
175.14867	2.9
180.98938	1.2
185.16443	2.9
189.07471	1.8
191.14349	5.6
196.20671	3.3
197.12990	1.7
208.20598	21.7
209.15364	10.5
210.15697	1.2
226.21638	84.1
227.16405	8.3
227.21956	2.8
229.14397	1.5
242.14935	1.8
244.22710	100.0
245.23178	5.2
268.22882	3.9
279.17126	3.8
286.23816	2.8
370.25943	5.1
388.27045	11.6
406.28027	96.1
407.28555	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	14.6
61.37896	8.7
75.77850	7.5
88.02138	10.0
96.92274	9.5
98.22694	18.0
120.10883	8.7
200.64447	11.0
251.20587	8.9
271.60010	11.2
277.78159	10.1
293.14658	9.7
302.08005	13.1
310.30841	8.7
315.16360	13.7
320.09128	28.0
333.17349	14.6
349.16595	11.0
367.17865	12.7
371.15384	46.1
389.16190	15.9
406.34952	14.2
407.12637	14.5
407.23929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2199
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
50.33041	5.2
54.80807	5.2
56.96555	8.8
64.13068	5.5
67.05518	5.6
69.64741	8.6
69.65125	12.4
74.44228	5.0
84.63578	5.4
91.05475	7.0
93.07058	5.7
95.04968	10.2
96.01874	4.9
98.22689	5.4
98.97586	15.0
116.98589	7.4
124.29704	5.6
131.08511	5.4
153.61450	5.1
170.58655	5.2
320.19513	12.9
333.17242	13.1
407.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2197
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
62.21285	6.0
70.87341	9.3
80.94846	7.4
98.22692	6.6
104.99303	7.1
222.05147	6.2
225.98016	5.7
389.10324	6.2
407.22073	100.0
408.22525	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17936	0.6
68.58018	0.5
69.56882	1.7
93.07040	0.5
98.23390	0.7
110.89777	0.5
164.94096	0.5
271.32391	0.5
284.44873	0.5
291.69055	0.6
295.15173	1.1
300.29175	0.6
301.29236	0.6
309.16785	0.9
389.32297	0.6
406.35431	0.8
407.24033	100.0
408.24356	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75787	0.7
69.76149	0.6
89.88251	0.3
94.35948	0.3
95.04913	0.3
110.18353	0.3
130.18459	0.3
158.46750	0.3
245.67429	0.3
247.01631	0.3
250.67938	0.3
301.68954	0.3
321.16788	3.2
407.24045	100.0
408.24380	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.6
69.25876	2.1
70.06595	1.6
71.06934	0.5
86.09718	0.6
89.77599	0.3
90.51674	0.4
132.10194	0.5
146.11774	0.8
178.66702	0.4
255.77287	0.4
300.28864	1.8
301.29294	2.5
309.16696	0.5
325.16318	0.6
344.31534	0.9
345.31970	1.7
351.73642	0.4
393.76370	0.4
406.35190	3.5
407.24036	100.0
407.35272	7.9
408.24374	7.7
429.63977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16174	0.6
70.06581	1.2
80.94871	0.6
104.99272	1.5
162.02490	0.7
175.95409	0.7
207.06683	0.9
261.87555	0.7
300.29025	1.0
331.15796	1.0
349.16974	1.0
371.15015	1.5
388.66776	0.7
389.16071	1.0
406.35141	2.2
407.24042	100.0
408.24130	6.8
423.03754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64348	0.8
56.55207	0.7
57.03423	4.4
57.07077	7.1
58.92461	0.8
67.05091	0.7
67.05495	3.6
69.07073	1.0
71.08620	4.0
71.39273	0.8
80.53974	0.9
81.07048	2.3
83.08588	1.4
84.78287	0.9
85.10168	3.0
85.86637	0.9
89.06030	3.4
95.08617	3.3
97.26113	0.8
109.10174	1.3
113.00017	100.0
121.49235	0.8
123.11744	1.1
133.08556	1.7
154.02652	1.0
169.02614	95.9
170.02995	1.1
181.19922	0.9
195.12323	4.1
239.23552	1.0
404.65652	0.9
426.72421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05501	0.6
56.05034	3.5
67.05490	0.8
69.07056	1.2
70.06587	2.0
70.72567	0.7
72.08151	1.1
79.11539	0.4
81.07033	0.9
82.06586	0.4
84.08145	100.0
85.02914	0.6
85.06550	0.9
85.08482	1.4
86.09709	28.2
91.05489	0.4
93.07050	0.7
95.04958	0.5
96.08122	1.3
98.09708	0.5
101.10779	4.6
102.09212	0.5
105.07012	0.5
107.08542	0.3
109.06470	0.5
110.07129	0.5
110.60269	0.3
111.09207	1.1
112.07576	0.5
119.08610	0.5
120.08111	6.5
120.08899	0.6
121.02802	0.4
121.10112	0.5
126.12833	0.4
127.08667	0.5
129.10245	60.7
130.10583	0.8
133.10126	0.9
134.10432	0.4
136.07587	0.8
147.07726	0.6
152.14340	2.1
163.75508	0.5
165.05444	0.6
166.08627	1.6
169.71474	0.4
174.00800	0.4
182.08096	0.7
192.14595	0.5
193.08623	0.4
193.12181	0.6
197.16504	5.5
199.18080	5.2
209.15413	0.6
210.15860	0.5
214.19139	0.6
224.17619	3.0
225.15982	2.3
227.17621	2.9
233.16518	1.1
242.18648	8.6
260.19730	1.2
279.17068	3.6
295.16470	0.9
329.11493	0.7
389.13568	1.2
389.24863	0.5
390.23685	0.9
407.07150	0.6
407.26569	26.4
408.26819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07246	0.6
53.03941	0.7
55.01870	2.3
55.05507	3.9
57.03423	3.0
61.02913	3.1
67.05209	0.8
67.05511	9.3
69.03428	4.5
69.07065	7.2
69.47481	2.4
71.04984	1.9
72.08142	1.2
79.05501	5.4
81.03422	1.6
81.07060	32.7
82.07384	1.1
83.04981	1.8
83.08631	3.6
85.02905	14.8
85.06540	2.5
87.04461	0.8
91.03947	1.6
91.05482	9.1
93.07039	5.4
95.04944	0.8
95.08609	7.0
97.02908	4.6
97.06506	3.0
98.09705	0.8
99.04459	0.9
99.08114	2.3
105.03403	1.0
105.07038	14.6
107.08596	5.4
109.02863	1.0
109.06505	2.6
109.10188	0.7
113.05998	1.2
119.08581	13.3
121.10152	14.4
122.42692	0.9
123.08057	2.5
123.11714	17.0
125.09594	0.7
127.03917	1.8
127.07554	3.2
131.08623	0.7
133.10150	1.9
137.09483	0.9
137.13257	1.6
141.09117	0.9
145.04973	2.6
147.11688	49.9
148.12024	2.4
150.12759	2.1
157.10168	1.1
160.01935	0.7
165.12758	36.5
166.13130	1.9
175.11197	1.6
179.02133	0.7
180.08630	4.6
183.13794	12.7
184.14165	0.7
193.12201	4.6
193.36627	0.7
201.91165	0.6
211.13286	8.6
212.13716	0.8
229.14349	100.0
230.14742	4.5
242.23129	0.7
337.35040	0.7
390.26376	3.5
408.23083	4.1
408.27615	4.6
409.18445	0.8
409.27856	0.7
417.52264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24341	0.3
55.19568	0.4
56.96549	0.5
58.51221	0.4
69.95530	0.6
69.95865	0.8
70.88474	0.4
72.08165	0.7
79.05471	1.0
81.55834	0.4
83.52310	0.4
90.04704	0.5
91.05466	2.7
91.09056	0.4
95.04976	0.7
98.31664	0.4
103.05477	1.0
105.07052	0.7
105.51840	0.4
107.04950	4.4
108.05758	2.2
117.07004	0.9
121.06503	1.6
129.06992	0.7
131.04893	1.1
133.06511	0.8
135.04405	1.8
135.08025	1.2
136.05206	4.9
137.06001	2.3
145.06476	1.2
146.07271	1.1
147.08032	4.0
149.05969	0.8
150.06772	1.5
151.07542	100.0
152.07872	3.1
157.06438	0.4
159.08073	0.7
160.08878	0.9
161.05995	0.8
161.09589	1.0
162.06787	0.7
163.07521	2.2
164.08379	0.6
165.09117	7.3
171.08090	0.8
173.06007	0.5
174.06801	0.5
175.07550	1.1
177.09108	8.3
177.86604	0.3
179.10635	0.7
186.10416	0.8
188.08374	1.2
189.09126	1.9
191.10651	2.3
202.09918	0.9
203.10680	2.8
217.12256	4.1
221.11769	0.7
235.13318	0.7
269.10541	1.0
323.16391	1.1
340.16690	12.7
341.16840	0.8
349.16827	0.5
355.19034	16.4
356.19318	1.7
367.17987	2.2
373.20081	1.1
385.05215	0.5
385.18915	1.4
385.46964	0.4
408.27078	1.3
409.21567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2381
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
56.05016	0.6
67.05493	0.7
67.40112	0.5
69.03433	4.4
70.06590	5.0
70.34201	0.5
71.04981	0.8
79.05493	1.1
80.04955	0.4
81.07052	4.8
82.04174	0.5
84.08141	1.7
84.33734	0.4
86.09689	1.4
91.05486	0.6
93.07049	1.3
94.06570	0.7
95.04948	0.6
95.08605	1.2
96.05688	0.6
96.08133	1.4
97.02895	1.3
97.06524	0.5
97.08890	0.6
105.07027	0.9
107.08586	3.4
108.08070	0.5
109.06521	3.9
110.09682	1.8
111.08077	1.7
113.46018	0.5
119.08613	0.6
120.08095	2.0
122.09653	1.5
123.08067	1.2
124.08853	2.7
124.11270	0.7
131.96616	0.4
135.08051	1.1
136.11252	1.1
137.05984	23.0
140.14156	0.4
145.10153	0.5
147.08038	0.7
151.07547	0.8
152.10693	0.5
156.63924	0.4
162.12759	1.3
164.14337	0.6
165.09132	0.6
166.15964	1.0
168.10217	0.8
170.11838	0.5
175.11121	0.6
182.11781	1.9
184.13312	2.6
190.15898	1.0
192.13669	0.5
196.13309	0.6
221.11717	7.1
236.16437	5.1
241.98761	0.5
247.05640	0.9
250.14467	0.5
264.19568	3.4
274.58017	0.5
278.17419	0.7
290.17584	0.8
292.19037	4.6
302.55084	0.5
310.20145	1.9
316.19052	8.5
372.21426	0.7
390.22751	27.5
391.23053	2.1
395.56662	0.4
408.23785	100.0
409.11066	8.7
409.18265	4.6
409.24121	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01859	1.2
55.05510	4.9
57.03437	1.6
59.04124	0.8
59.05007	1.4
61.02909	1.1
65.78133	0.9
65.95756	0.8
67.05518	5.7
69.03438	2.0
69.07072	12.6
70.06583	1.1
70.08826	1.1
70.57528	1.1
70.57867	1.5
71.05006	5.5
71.88052	1.0
72.08147	2.1
74.76116	1.1
78.03501	1.0
79.05496	4.2
81.07050	10.8
83.08610	5.6
85.02907	5.7
85.06535	2.7
86.09711	1.3
91.05481	2.7
93.07042	11.0
95.04968	3.1
95.08606	15.4
97.06528	10.5
98.09679	8.1
99.04476	2.7
99.08108	1.3
105.07025	7.2
105.18999	1.1
106.85030	0.9
107.08584	11.6
108.75674	0.9
109.06548	6.2
109.10151	22.0
110.09689	3.6
111.08079	2.9
111.11761	1.0
115.07555	5.7
119.08576	11.4
120.08104	2.0
121.02843	1.1
121.10150	8.4
123.08089	5.0
123.11710	11.4
125.09608	2.2
127.11200	3.1
133.10126	27.5
135.11691	25.9
137.02344	2.7
137.09602	4.5
137.13258	1.1
141.09117	1.3
142.12309	1.2
147.11699	5.2
149.13261	12.1
153.12749	3.5
155.10680	2.3
156.13853	4.5
165.12756	1.6
169.12218	1.5
170.11775	5.2
175.14827	43.2
176.15108	2.1
177.16425	3.9
183.59727	1.0
193.15891	47.1
194.16287	1.3
198.49841	1.0
211.13440	3.8
211.16931	100.0
212.17287	3.9
229.14346	11.8
230.80704	1.1
340.91977	0.9
372.25482	1.3
390.26483	6.4
408.27515	18.3
409.18604	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	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.9
56.05031	2.3
57.03432	1.9
58.06590	1.5
67.05518	5.8
69.03445	1.8
69.07068	9.0
70.06567	2.7
71.04998	17.6
72.08154	9.8
74.52943	1.1
79.05497	5.2
81.03427	1.5
81.07054	9.1
82.06583	2.3
83.05010	1.6
83.08625	4.5
84.08158	4.1
85.02905	3.6
85.06548	3.1
86.09730	1.8
91.05486	3.5
93.07030	7.6
95.04974	1.8
95.08601	13.3
96.08098	1.9
96.77267	1.0
97.02903	1.2
97.06542	3.8
98.09699	13.3
99.04465	37.1
99.08092	1.3
105.07036	3.8
107.04929	3.1
107.08595	7.9
108.08137	2.0
109.06523	2.3
109.10168	16.9
109.95145	1.1
110.09683	25.0
110.10425	1.6
111.04478	1.7
111.08059	2.3
111.11742	1.7
113.09648	6.1
115.07581	4.1
115.83908	1.2
117.07023	1.3
119.08611	6.5
120.08083	3.3
121.02892	4.9
121.10140	4.5
123.04444	1.9
123.08093	3.3
123.11745	6.0
125.09653	2.3
127.03939	1.6
133.10126	8.3
135.11707	15.7
135.12645	2.1
136.07608	1.3
141.12671	2.1
142.12363	1.5
147.11629	1.4
149.13361	2.1
151.07509	1.2
151.11220	1.5
151.14830	3.8
153.12823	2.3
156.13797	7.7
165.16418	1.6
167.14255	1.5
169.15845	1.2
170.11768	33.0
173.09619	1.3
175.11401	1.2
175.14832	16.4
177.16417	2.2
182.49658	1.2
193.15880	23.4
211.13690	2.8
211.16927	100.0
212.17320	4.4
235.48863	1.1
240.88199	1.1
247.09531	1.7
263.14343	1.2
321.07578	1.1
369.62888	1.4
372.25394	2.1
390.22028	1.7
390.26498	16.1
408.27466	46.6
409.18463	76.4
409.24008	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	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	1.8
55.05517	7.7
56.49285	1.7
57.03442	2.3
63.35197	1.7
67.05502	8.0
69.07069	14.9
70.06595	5.5
70.53043	2.5
70.53392	3.1
71.05007	7.1
72.08154	8.4
75.98389	2.0
79.05498	7.9
81.07058	18.0
83.08627	8.3
84.08135	4.5
85.02907	6.1
85.06550	4.4
86.09708	7.6
87.89837	2.2
91.05491	6.6
93.07053	13.1
95.04980	4.1
95.08608	26.5
97.06541	19.3
98.09699	15.8
98.23451	1.9
99.04453	6.5
99.08111	2.2
105.06994	9.4
107.04977	4.7
107.08601	17.6
109.06522	11.9
109.10162	21.6
110.09676	5.5
111.11744	2.7
113.09654	2.3
115.07567	6.7
119.08570	20.6
120.08112	6.6
121.02869	6.2
121.10110	8.9
123.08109	5.1
123.11698	11.0
124.20535	1.9
125.09572	2.0
131.53922	2.1
133.10130	33.0
135.11679	32.4
136.07590	2.1
137.09631	7.3
142.12299	2.0
149.13268	13.7
151.07556	2.0
153.12738	3.6
156.13811	10.1
170.11732	10.9
175.14830	57.6
177.16362	4.9
193.15883	67.1
194.16261	3.6
194.63025	1.8
211.16925	100.0
212.17242	4.3
247.09464	9.0
252.12120	2.3
345.42581	2.4
372.25327	2.2
390.26392	13.2
408.19156	14.3
408.27640	32.6
409.18463	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	1.9
71.37905	1.2
71.38277	1.4
86.09708	3.1
136.07588	2.4
155.43605	1.2
185.04204	6.9
220.54002	1.1
246.04961	1.7
247.05734	4.7
273.53558	1.7
284.53152	1.6
409.11041	100.0
409.24191	6.2
410.11359	5.7
431.78577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
60.05651	0.4
67.05499	0.6
70.06596	3.1
70.49762	0.4
71.93002	0.4
72.08154	2.5
79.05481	0.6
81.03369	0.4
83.04996	0.5
84.08157	2.1
85.02896	0.5
86.09715	4.0
87.09979	0.4
87.16521	0.3
91.05466	1.3
95.04999	0.4
95.08597	0.5
97.06486	0.5
98.22763	0.4
105.07030	0.5
107.04927	0.8
107.29067	0.4
119.04936	1.2
119.08574	0.5
120.08109	3.8
121.02866	4.7
129.10240	1.2
133.10190	0.4
136.07590	6.2
143.11806	0.4
145.02847	0.7
146.05984	0.5
172.11636	0.4
174.69293	0.4
175.03932	0.6
177.01883	0.5
179.03487	0.6
185.04221	9.3
186.12364	0.5
189.01872	0.9
189.12306	1.1
193.09740	2.1
195.02826	0.5
199.17989	0.6
203.03397	1.0
203.05180	0.6
207.02878	1.3
211.13152	0.8
217.04988	1.1
221.04301	0.5
239.07970	0.5
243.07866	0.6
247.05788	74.2
248.06119	2.5
251.10239	1.3
253.11769	0.6
267.07330	0.4
268.07281	0.5
271.07043	0.5
279.06686	0.8
279.09821	0.4
285.08615	1.1
289.08249	1.1
292.07175	0.7
293.07907	0.5
294.05173	1.8
295.06039	3.8
296.06644	1.3
297.07513	1.4
307.06192	3.0
307.09262	0.8
308.06601	0.7
309.07520	1.2
313.08005	1.4
319.05988	0.9
320.06763	1.3
321.07489	3.3
325.07089	10.0
326.07324	1.0
331.09406	2.5
333.07559	0.7
334.08289	1.3
335.09070	3.6
337.07248	2.0
339.08722	0.7
345.07495	1.1
349.06943	1.9
349.10593	1.3
350.07703	0.7
351.08789	0.8
359.08780	0.6
363.08560	4.3
373.06909	0.7
379.08350	0.8
391.08017	10.0
391.12454	0.8
392.08401	0.8
409.10645	42.6
409.18283	100.0
409.23892	10.7
410.11057	2.7
410.18628	3.8
410.24243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83735	0.8
60.40842	0.9
69.01083	0.7
70.06577	1.9
70.32299	1.5
82.38393	0.6
84.08131	1.0
95.90371	0.8
96.28574	0.8
118.93398	0.7
120.08131	0.9
126.16253	0.7
129.10277	1.2
136.07574	0.9
140.11151	0.6
145.87796	0.7
185.04193	2.1
200.21350	0.8
204.78146	0.8
236.69017	0.7
246.04918	2.4
247.05777	13.5
280.39929	0.8
408.26804	1.0
409.10962	100.0
409.18219	37.1
410.11334	6.2
410.18362	1.9
430.50269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15498	2.3
70.06673	3.4
72.08229	0.7
80.86031	0.5
81.85796	0.5
84.08184	0.6
86.09194	0.5
93.07162	0.7
95.08672	0.7
98.09773	0.9
98.22607	0.8
98.77905	0.5
119.04952	0.7
119.08591	0.6
120.08164	1.2
121.02954	0.8
170.11780	0.8
185.04230	0.8
189.01819	0.6
245.12788	0.7
247.09427	100.0
248.09752	4.2
268.07404	0.6
295.06094	3.2
321.07681	0.5
323.82169	0.5
325.07135	2.5
349.06863	0.6
391.07892	0.7
409.10165	3.6
409.14322	69.4
410.14600	3.8
410.18967	0.4
410.29071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28144	0.7
69.80351	2.0
69.80692	0.9
70.02937	0.7
70.06588	4.9
72.08163	5.5
82.02945	2.2
83.06109	1.6
83.83212	0.7
84.04513	3.1
84.08150	2.8
86.09708	3.6
87.05586	1.1
91.05464	1.5
102.05561	0.9
104.81880	0.9
114.05534	23.9
116.07107	0.8
119.04958	0.9
120.08102	7.5
124.05077	2.1
129.10242	2.6
130.05011	1.0
130.06502	1.2
133.06064	1.1
136.07603	8.2
137.02333	2.5
138.01923	1.1
138.09108	0.7
142.05046	4.4
148.06178	0.8
149.04588	10.8
155.03371	1.7
166.07257	100.0
167.05627	1.7
167.07550	1.5
169.04979	11.2
170.04543	1.2
174.07646	4.4
179.91867	0.7
180.02936	1.8
182.08098	3.5
192.05263	1.0
212.05460	1.1
216.08714	3.3
218.72021	0.8
228.08743	1.1
228.13313	1.1
234.12386	1.7
244.08212	11.0
247.05807	0.9
249.16016	2.8
262.12027	1.0
316.25995	0.7
373.12500	1.2
391.13611	1.4
409.10773	6.3
409.15451	13.3
409.20383	1.3
410.14917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13626	0.2
53.99957	0.2
55.05507	0.2
56.05029	0.3
57.97414	0.3
64.49364	0.2
69.24020	0.4
69.24423	0.7
70.06593	1.0
72.08158	0.7
79.05470	0.3
81.07060	0.5
82.06578	0.7
84.08143	0.5
85.08397	0.2
86.09714	0.3
89.01286	0.2
93.07040	0.4
95.07326	0.3
95.08618	0.5
98.09706	0.9
99.04468	0.3
105.07033	0.5
107.04977	0.3
107.08575	0.2
108.08138	0.3
109.10172	0.3
110.09680	2.5
111.10016	0.5
116.95255	0.3
120.08115	0.5
121.02877	0.4
123.08071	0.3
128.10698	0.4
131.08514	0.2
156.13824	0.3
157.14069	0.3
170.11768	3.9
171.12128	0.6
185.04259	0.8
203.05272	0.5
211.16968	0.5
212.17325	0.6
247.09419	2.5
247.13126	0.9
375.99503	0.2
390.26459	0.5
391.26816	0.8
408.27441	1.7
409.18390	100.0
410.13281	0.3
410.18622	5.7
410.23810	0.4
410.28906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14187	0.4
51.73262	0.4
56.83897	0.4
66.58841	0.4
69.20492	0.8
69.20894	2.2
70.06593	1.5
72.08140	0.5
84.08141	1.6
86.09692	2.5
87.10067	0.5
91.05495	0.5
95.35900	0.5
107.04980	0.5
109.25394	0.5
120.08102	2.2
129.10152	0.9
136.07578	2.8
136.42899	0.4
185.04207	2.6
247.05750	5.5
250.11829	0.9
308.06546	0.5
310.17288	0.5
325.07004	1.5
395.47076	0.5
409.11005	16.6
409.18253	100.0
410.11069	0.8
410.18710	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82288	0.7
66.05230	0.6
69.03413	0.7
75.27299	0.7
75.76347	0.6
76.17480	0.7
77.87849	0.6
100.46751	0.8
119.04985	1.1
121.02875	4.6
137.24677	0.7
145.02742	0.8
150.74390	0.8
189.01888	1.2
203.03471	1.4
207.02896	0.8
217.04965	1.6
221.04611	0.7
294.05365	0.9
295.06027	4.2
296.06689	0.9
297.07590	1.3
307.06067	2.1
309.07593	1.2
312.25156	0.7
320.06546	1.5
321.07553	3.3
325.07028	6.3
335.09039	2.5
337.07275	2.1
339.08731	1.0
345.07864	0.8
349.07034	2.2
363.08643	5.6
373.07147	0.9
391.08084	11.1
409.09836	16.5
409.18314	100.0
410.09601	2.0
410.18564	5.5
410.23596	0.8
410.25415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03384	0.2
69.40450	0.2
69.98048	0.5
72.08140	0.4
79.05504	0.3
85.03996	0.3
86.09729	0.4
91.05482	0.3
93.07069	0.3
95.04996	0.3
95.08591	0.3
98.09683	0.5
107.01079	0.2
110.09664	0.7
120.08089	0.6
121.02831	0.4
123.08086	0.3
132.08078	0.6
156.13907	0.4
157.10039	0.3
163.07509	0.3
170.11819	1.2
187.08543	0.3
191.07053	0.3
203.05269	0.6
211.16844	0.3
212.17177	0.4
216.11191	0.3
229.12230	0.2
232.35870	0.2
247.13020	2.9
390.26450	0.4
391.26913	0.5
404.70190	0.3
408.27527	0.9
409.18329	100.0
410.13358	0.5
410.18637	5.6
410.23718	0.3
410.29205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13107	0.3
55.05495	0.5
59.01077	0.3
61.37600	0.3
63.53410	0.3
67.05521	0.7
67.29895	0.3
69.07041	0.4
70.06596	0.8
72.08156	0.5
81.07050	1.0
83.04956	0.3
84.08124	0.6
86.09718	0.3
91.05476	0.5
93.07047	0.5
95.08564	0.6
98.09721	0.5
105.07060	0.5
119.08552	0.4
123.00564	1.0
156.13950	0.4
170.11807	0.8
185.04201	0.4
201.12367	0.5
203.05217	0.5
234.55948	0.3
247.13057	3.5
282.55170	0.3
285.05887	0.4
325.12604	0.5
390.26547	0.5
391.26419	0.7
392.24115	0.6
408.27350	0.9
409.18323	100.0
410.18750	6.9
410.29120	1.8
419.74185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2199
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
54.25096	0.2
69.03444	0.2
70.41541	0.6
72.08157	0.8
82.51365	0.3
83.04935	0.3
84.08188	0.3
91.05482	0.2
93.07122	0.3
102.09137	0.3
105.07006	0.3
275.49365	0.2
310.94595	0.3
335.18213	1.0
362.40717	0.2
365.44565	0.3
392.28134	0.7
409.21924	100.0
410.22318	7.5
410.27829	0.4
419.62442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13153	36.1
52.03127	29.5
56.96565	45.3
62.89308	27.9
70.57688	58.4
79.16963	31.0
80.94847	100.0
81.07104	29.2
104.95502	31.1
119.63264	29.8
132.96922	31.9
135.24290	28.9
182.93433	30.1
188.05518	32.5
211.78914	35.5
237.53316	39.6
298.47992	31.7
373.16672	53.3
409.14117	63.4
409.23691	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	409.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48097	6.2
53.80135	6.2
57.07079	90.5
67.14657	6.6
68.56355	5.3
70.29902	12.4
80.94849	10.4
87.59972	7.0
207.11246	13.7
224.13899	13.6
251.98994	6.4
308.19623	27.2
335.18781	7.8
373.16199	7.1
374.24524	33.9
392.25446	100.0
393.25180	10.0
409.25729	40.8
410.19772	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40277	1.1
80.94836	0.7
81.78539	0.6
133.68311	0.5
135.67068	0.6
164.91748	0.6
351.18536	1.2
409.14172	2.2
409.25610	100.0
410.25934	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11134	1.0
80.94841	1.2
97.75676	0.9
104.85228	0.9
105.66347	0.9
133.49854	0.8
135.33098	0.9
409.25595	100.0
410.25876	8.1
411.83417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
55.01854	3.9
55.05513	18.9
57.07069	8.7
59.05003	4.5
60.16481	2.3
62.50184	2.8
67.05509	21.2
69.03424	9.3
69.07066	8.2
69.36216	11.7
69.50301	2.4
77.03918	2.9
79.05500	16.7
81.07062	37.3
83.04964	6.0
83.08631	7.1
91.05486	43.2
93.07050	52.2
95.04971	55.8
95.05598	2.8
95.08609	37.7
97.06514	12.5
98.22704	4.9
103.05457	3.0
105.07030	100.0
107.08600	31.4
109.06525	15.8
109.10162	9.8
111.08038	2.7
115.05376	3.7
117.07039	15.1
119.04957	3.7
119.08589	61.0
119.30639	2.7
121.06499	19.3
121.10144	16.8
123.08068	22.6
128.06223	6.4
129.07021	8.1
130.07774	5.4
131.08572	28.4
133.06508	6.2
133.10124	19.5
135.08057	13.1
135.11754	3.3
137.09601	11.5
141.06950	3.2
142.06837	2.7
142.07784	14.0
143.08571	21.3
144.09358	4.6
145.10129	43.2
147.08067	19.7
147.11690	34.9
148.19800	3.0
149.09612	10.6
151.07536	26.9
155.08574	8.8
156.09303	11.1
157.10133	29.0
159.08089	7.8
159.11676	18.3
160.08786	2.5
161.09567	10.5
161.13242	4.6
163.11163	7.3
165.09129	34.5
168.09380	7.3
169.10091	18.5
170.10852	3.1
171.11711	12.3
173.09654	6.7
173.13257	11.7
175.11195	26.3
177.09224	3.5
181.10101	8.0
181.12151	3.3
183.11635	15.6
185.13254	5.3
187.11208	4.9
187.14804	4.0
189.12769	6.0
195.11714	3.6
197.13306	3.8
199.11113	5.5
201.12730	7.7
201.16435	5.3
203.14301	13.8
207.11974	3.6
207.13805	10.4
209.13286	5.6
209.15376	5.2
211.14806	5.8
213.12920	2.6
219.13757	3.2
221.13222	5.3
221.15370	80.2
222.15698	2.8
223.14792	4.1
229.15730	6.6
231.31157	2.5
233.15234	4.3
234.16104	11.1
243.05838	2.6
251.14365	3.2
287.20126	5.8
300.20792	6.1
329.21057	6.2
379.07553	2.8
391.26239	12.1
409.27362	69.0
410.27814	4.9
423.44876	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01878	2.4
55.05511	20.7
55.86156	1.2
56.54397	1.3
57.03430	2.2
57.07083	7.4
59.04989	3.6
60.57841	1.5
67.05502	18.5
69.03413	8.0
69.07060	5.4
69.30901	6.9
69.31306	2.4
77.03934	3.3
79.05489	22.3
81.03417	1.5
81.07060	33.6
83.04986	4.8
83.08617	2.1
85.06532	3.0
91.05478	36.6
93.07048	46.7
95.04969	52.1
95.08607	34.8
96.04668	1.4
97.06560	7.0
103.05485	4.1
105.04506	3.5
105.07031	100.0
106.07320	2.5
107.04996	2.2
107.08585	22.9
109.06512	11.4
109.10181	8.4
111.08082	2.3
115.05487	2.9
117.07014	11.7
119.04935	1.9
119.08587	67.5
121.06513	18.9
121.10134	15.4
123.08075	16.8
125.05960	1.8
126.77465	1.7
128.06258	4.4
129.07013	10.5
130.07796	5.7
131.08565	27.7
132.09329	2.4
133.06503	5.4
133.10132	19.0
135.08049	15.4
135.11710	3.6
137.09654	8.4
141.07001	5.7
142.07767	15.2
143.08580	17.9
144.09386	4.0
145.06436	3.0
145.10127	37.7
146.10934	1.8
147.08051	20.6
147.11679	41.6
148.12044	2.3
149.09584	11.5
151.07538	21.0
153.09174	3.2
155.08562	6.1
156.09384	4.6
157.10138	22.1
158.10866	1.5
159.08043	6.3
159.11696	13.4
161.09633	9.6
161.13272	4.3
163.11182	6.0
165.07027	2.2
165.09113	37.2
168.09355	3.1
169.10139	13.2
170.10878	3.1
171.11676	11.1
173.09659	5.5
173.13197	7.8
174.10535	1.7
175.11177	25.9
175.14854	2.7
176.11539	1.8
177.09094	4.7
178.09834	1.9
179.08556	2.2
180.09326	1.6
181.10188	4.4
181.12183	1.9
182.10799	1.9
183.11656	8.8
185.13268	5.1
187.11208	5.3
187.14690	3.1
189.12701	8.3
191.14368	2.6
195.11685	4.7
196.12535	2.5
197.13271	3.2
199.14836	1.6
201.12703	8.6
201.16437	2.1
203.14267	14.1
207.11905	1.5
207.13831	7.8
209.13336	3.3
209.15375	3.9
211.14822	5.4
213.12799	3.0
215.14363	4.1
219.13750	4.7
221.13359	3.4
221.15359	82.6
222.15811	3.4
223.14876	2.8
225.16348	2.4
227.14435	1.6
229.15919	6.2
231.13766	1.7
233.15425	4.0
234.16100	18.4
247.17007	1.6
253.15965	2.5
269.19092	1.9
286.19348	4.4
287.20074	7.7
299.20056	1.6
300.20810	4.2
311.20197	1.6
329.20984	7.9
335.20081	2.0
391.26205	8.1
409.27377	48.1
410.27634	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
55.05511	17.0
56.48000	3.5
57.07068	11.8
59.04996	3.7
59.09088	5.0
65.03937	4.1
67.05508	25.0
69.03424	8.0
69.07064	13.8
69.56418	13.0
71.08643	6.2
74.03571	3.9
79.05491	34.9
81.07053	37.6
83.04984	9.8
83.08614	9.3
89.06013	14.4
91.05479	45.1
92.15498	3.2
93.07046	62.7
95.04973	78.6
95.08596	28.0
97.06544	14.1
103.05441	4.2
105.07025	100.0
107.08602	43.2
109.06506	22.5
109.10164	8.9
111.08057	3.7
115.05455	5.3
117.07021	19.3
118.72066	3.5
119.04929	5.1
119.08582	64.8
120.08859	4.4
121.06509	22.3
121.10159	45.4
123.08071	9.5
123.11726	4.3
124.84737	4.5
128.06223	11.8
129.06995	12.7
130.07802	5.4
131.08591	36.3
133.06459	9.5
133.08569	4.5
133.10158	22.2
135.08047	10.3
135.11719	10.4
139.11249	5.6
141.07022	7.5
142.07809	19.4
143.08582	28.5
145.06493	8.6
145.10107	42.1
146.10486	4.9
147.08006	9.9
147.11697	26.2
149.09657	20.0
151.07574	6.8
153.06856	4.0
155.08562	14.2
156.09312	10.6
157.10127	28.1
159.08017	18.8
159.11693	29.0
160.08482	4.3
161.09633	6.9
165.09129	8.1
166.07895	4.6
167.08575	6.9
167.10678	57.7
168.09343	7.1
168.10934	4.0
169.10172	18.8
170.10890	8.8
171.11694	14.7
173.09610	10.0
173.13260	7.4
175.11180	18.7
179.08553	8.3
181.10138	11.0
182.10905	5.4
183.11734	9.3
185.13239	8.8
187.11168	15.0
191.14322	5.0
192.09258	4.5
193.10126	11.1
194.10921	5.5
195.11722	12.2
197.13239	9.1
199.11140	4.2
199.14767	6.0
201.12729	7.6
207.11751	11.0
209.13200	11.2
210.13997	6.1
211.14854	4.1
221.13286	5.0
221.15335	11.7
223.14856	7.8
231.11510	4.0
233.13228	7.8
233.15390	15.3
234.16074	7.4
247.14807	4.5
263.17596	3.9
280.16357	8.5
300.20779	5.3
363.25421	4.0
391.26212	7.6
409.27341	39.0
409.95557	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.02383	2.1
53.03941	2.4
55.01877	3.0
55.05512	21.7
57.07078	6.9
59.05011	2.7
65.03947	2.4
67.05509	24.1
69.03429	8.9
69.07077	8.6
71.05010	2.2
77.03928	2.7
79.05491	24.1
81.07059	38.6
83.04977	7.2
83.08628	3.1
85.06527	2.7
91.05483	38.9
93.07047	49.0
95.04973	52.7
95.08608	27.5
96.05272	1.7
97.06542	11.0
103.05482	3.9
105.04533	4.0
105.07036	100.0
106.07342	2.5
107.04963	1.6
107.08598	27.1
108.05789	1.6
109.06528	15.8
109.10146	10.9
111.08060	2.7
115.05465	5.7
117.07021	16.0
119.04935	2.8
119.08585	64.0
120.09423	1.6
121.06509	17.8
121.10145	17.4
122.66642	1.5
123.08069	17.4
123.08950	1.8
123.11724	2.1
125.09635	2.0
128.06223	7.2
129.06995	8.0
130.07823	6.5
131.08582	23.2
132.09250	1.2
133.06470	5.6
133.10146	19.2
135.08060	13.9
135.11664	3.1
137.05980	2.3
137.09633	10.3
141.06999	4.4
142.07805	12.2
143.08577	19.9
144.09337	5.2
145.06479	2.1
145.10133	42.0
146.07281	1.5
146.10654	2.8
147.08032	20.0
147.11685	36.0
149.09641	10.4
150.48053	1.4
151.07550	17.3
153.06921	1.8
153.09132	2.0
154.07796	2.2
155.08563	8.9
155.10680	1.5
156.09354	6.5
156.13463	1.3
157.10132	24.1
158.10698	1.5
159.08073	7.1
159.11681	18.2
161.09602	9.3
161.13269	4.9
163.11200	5.8
165.06996	2.7
165.09120	35.3
166.07814	1.6
166.09422	1.5
167.08554	4.6
168.09343	3.8
169.10104	12.9
170.10912	3.7
171.11670	10.9
172.08926	1.4
173.09668	7.3
173.13225	7.3
174.10396	2.4
175.11192	26.3
175.14836	1.8
177.09154	4.1
178.09837	1.3
179.08644	3.1
181.10097	7.1
181.12263	3.9
182.10875	3.1
183.11687	12.4
184.12062	1.4
185.13319	5.6
186.10420	1.5
187.11197	5.4
187.14803	4.1
189.12794	7.1
191.14322	2.8
193.10216	2.8
194.10829	1.3
195.11679	3.4
196.12376	3.5
197.13289	5.2
199.11182	3.7
199.14789	1.6
201.12720	10.3
201.16353	2.1
203.14363	10.9
206.10973	2.2
207.11873	2.6
207.13818	6.1
209.13220	4.9
209.15384	4.6
211.14821	5.4
213.12714	4.2
215.14279	2.6
216.15015	1.3
219.13791	4.1
221.13376	3.1
221.15367	78.7
222.13776	1.8
222.15723	4.5
223.14842	3.7
225.12851	1.3
225.16321	2.3
227.14215	1.6
229.15897	5.4
231.13905	2.6
233.13295	1.4
233.15347	3.1
234.13869	1.9
234.16118	14.1
239.14293	1.3
239.18106	1.5
241.15828	2.0
243.13739	1.5
247.17152	1.3
250.27342	1.2
253.15936	3.1
258.99219	1.5
263.16595	1.5
269.18903	2.3
271.16974	1.7
286.19226	3.2
287.20078	6.0
299.20160	2.3
300.20850	4.5
312.20990	1.8
329.21057	6.3
335.20099	2.2
373.25403	2.2
391.26300	7.3
409.27380	49.5
409.38165	1.8
410.27814	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	1.0
51.72833	1.2
53.03939	2.7
55.01871	1.6
55.05513	17.2
57.03428	1.3
57.07075	7.4
57.43121	0.9
57.43449	0.9
59.04988	4.5
65.03931	2.6
67.05505	18.0
69.03427	8.5
69.07068	6.0
71.04964	2.2
77.03925	1.9
78.15576	1.1
79.05489	21.1
81.03426	1.6
81.07059	29.9
83.04974	5.2
83.08609	3.8
85.06537	5.1
89.06015	1.3
91.05476	39.3
93.07042	47.7
95.04968	54.0
95.08609	28.8
97.06533	8.8
98.98498	1.7
103.05463	4.7
105.04527	2.8
105.07027	100.0
106.07363	3.2
107.04995	1.7
107.08588	25.2
108.05724	1.4
109.06521	13.5
109.10128	8.2
111.08060	2.7
115.05453	4.0
116.06241	1.1
117.07009	11.7
119.04958	1.8
119.08577	58.0
121.06500	17.1
121.10134	16.3
122.09661	3.1
123.08055	17.8
125.05980	1.6
127.05419	1.2
128.06250	3.8
129.07002	8.9
130.07774	4.5
131.08569	21.6
133.06488	4.7
133.10126	18.3
135.08047	13.4
135.11670	2.8
137.05980	1.8
137.09630	8.2
141.06966	3.4
142.07800	11.9
143.08554	16.2
144.09341	2.9
145.06496	2.9
145.10129	34.2
146.07280	1.4
146.10803	1.3
147.08057	16.1
147.11684	36.2
148.08789	1.8
149.09593	10.1
151.07544	16.9
153.07011	2.0
153.09109	2.9
155.08519	6.6
156.09311	5.5
157.10104	19.4
158.10756	1.4
159.08038	6.9
159.11687	12.2
160.08801	2.7
161.09648	6.9
161.13292	4.7
162.10149	1.3
163.11205	4.0
165.06982	2.1
165.09113	28.4
165.12831	2.7
167.08698	2.3
168.09370	4.5
169.10120	11.4
170.10867	1.5
171.11707	11.4
173.09621	4.5
173.13181	7.2
174.10326	2.1
175.11186	28.8
175.14900	1.7
177.09114	3.8
178.09734	1.6
179.08600	1.3
181.10150	5.0
181.12234	2.7
183.08066	1.5
183.11681	8.2
185.13269	4.8
187.11203	4.0
187.14787	2.8
189.12743	3.8
191.14357	2.1
193.09970	1.5
195.11780	4.4
196.12411	2.1
197.09633	1.5
197.13278	4.5
199.11110	3.0
199.14877	1.8
201.12767	7.0
201.16418	2.0
203.14316	12.5
206.10999	2.0
207.11774	3.1
207.13857	7.6
209.13274	3.4
209.15361	2.6
211.11058	1.4
211.14851	4.5
213.12857	2.6
215.14430	2.7
216.15164	1.5
219.13847	3.9
220.12332	1.7
221.13393	2.3
221.15359	63.9
222.15700	3.2
222.19092	1.9
225.16399	2.3
227.14380	1.4
229.15915	4.4
231.13728	3.7
233.15460	2.0
234.16177	12.6
253.15988	3.1
255.13857	1.4
266.58945	1.3
269.18982	1.7
281.18863	1.4
286.19315	2.5
286.22702	1.1
287.20038	5.3
288.20139	1.4
299.19928	1.5
300.20883	3.4
329.21106	5.6
391.26193	4.5
409.18872	1.6
409.27390	38.5
409.37885	1.3
410.27441	2.7
430.52838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
55.05506	16.7
57.07077	6.5
59.04983	5.7
65.03926	4.5
65.50928	3.9
67.05494	19.1
69.03427	5.4
69.07072	9.6
70.52245	8.6
72.16541	4.2
79.05499	29.2
80.34478	4.4
80.36415	4.4
81.07059	37.9
83.04974	8.0
83.08611	8.2
84.08137	6.3
84.09355	4.4
85.06540	4.3
91.05479	41.5
93.07041	42.5
95.04412	6.5
95.04970	68.3
95.08611	29.8
97.06525	7.9
105.04523	4.4
105.07034	100.0
107.08610	28.3
109.06509	17.6
109.10149	10.7
111.08087	5.5
116.88979	4.5
117.07008	19.6
119.08583	76.4
121.06514	17.4
121.10166	24.5
123.08035	14.1
128.06172	7.2
129.07051	7.2
131.08572	16.9
133.06519	7.1
133.10159	31.0
135.08040	18.3
135.11749	7.7
137.09615	7.9
141.06943	4.8
142.07761	13.6
143.08534	16.8
144.09355	4.1
145.10118	41.1
147.08043	17.0
147.11667	37.4
149.09583	11.8
151.07555	16.5
153.98006	4.3
155.08571	7.3
156.09337	6.5
157.10156	23.0
159.08076	4.5
159.11705	14.0
161.09712	7.1
161.13322	4.7
163.11113	6.3
165.06989	4.8
165.09131	24.2
169.10091	17.3
170.10907	5.3
171.11719	9.8
173.09518	5.9
173.13210	6.8
175.11198	34.7
181.10092	10.3
183.11713	13.0
185.13268	6.1
187.11131	5.3
191.91690	4.1
197.13194	9.2
199.11040	5.1
201.12674	7.7
203.14336	12.5
207.13811	6.2
209.13263	6.8
209.15404	5.5
211.11153	4.8
211.14766	5.0
219.13779	8.6
221.13411	8.8
221.15346	49.0
234.16121	19.3
253.15839	5.8
391.26218	13.9
409.27618	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01885	4.7
55.05293	0.6
55.05515	5.8
57.07069	1.5
60.04529	1.0
61.01151	17.2
67.05166	1.0
67.05505	17.9
69.07071	5.8
69.12657	4.2
71.05004	1.1
71.08600	0.7
72.04517	34.9
78.03792	35.6
79.05051	1.0
79.05496	20.4
80.21321	0.6
81.07058	17.3
82.06586	0.7
83.04990	1.0
83.08624	3.7
84.08099	0.7
86.06048	1.4
91.05482	10.3
93.06438	1.1
93.07043	23.7
95.04955	2.4
95.08611	15.7
97.06519	1.0
97.10136	0.9
98.06012	1.1
98.23521	1.4
102.03767	48.5
103.02168	3.0
103.04088	0.8
105.07040	8.3
107.08586	13.3
109.10159	6.3
111.08064	1.6
114.03758	13.5
115.02169	1.7
116.10718	0.7
117.07010	2.8
119.08588	8.0
120.04800	7.7
121.06467	0.7
121.10155	12.1
123.08031	0.8
123.11751	1.4
128.10640	0.6
129.06940	1.1
131.06392	22.1
131.08537	5.0
132.04790	27.9
133.10100	5.0
135.08066	0.7
135.11710	6.2
137.09622	1.5
137.13281	0.7
141.10237	1.0
143.08583	1.0
145.10117	4.1
147.11665	4.4
149.07442	100.0
149.13266	3.9
150.07840	1.6
151.11208	0.9
157.10165	1.1
159.11737	3.1
161.13225	2.9
163.14818	1.2
171.11673	0.8
173.13188	3.1
175.11160	0.7
175.14836	1.9
177.12744	1.6
179.14378	0.7
185.13293	0.8
187.14822	2.2
189.12640	1.0
189.16348	0.6
191.14372	0.8
199.14821	1.5
203.14284	0.8
211.14557	1.0
217.15898	1.2
220.13721	0.6
231.17580	0.8
234.18538	0.8
241.19298	0.7
243.21121	0.7
259.20621	1.3
261.22147	2.8
279.20987	0.8
287.23694	1.0
290.24719	3.3
297.22128	3.2
314.24719	7.1
315.23172	10.6
316.23633	1.2
320.24042	1.0
332.25830	35.8
333.26221	1.6
391.27643	1.8
393.71585	0.7
409.28827	64.1
409.37576	1.7
410.29202	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
54.93869	0.8
55.01873	9.8
55.05510	13.5
56.05841	0.7
57.03434	4.2
57.07074	14.6
58.71101	0.6
67.05504	2.4
69.07071	27.0
69.13637	4.9
71.08640	10.0
79.05509	1.5
81.03413	11.3
81.07063	5.0
83.08618	18.1
85.10178	5.8
93.07066	1.5
95.04992	1.3
95.08614	5.1
97.02879	1.5
97.10176	12.2
99.04443	1.4
99.11746	0.9
105.07013	1.1
107.08575	1.5
109.02880	29.7
109.10159	5.4
111.11705	6.7
113.00084	1.2
115.03934	10.3
121.10152	0.8
123.04475	1.8
123.11715	2.4
125.13254	2.5
127.03917	100.0
128.04227	2.3
137.09654	0.9
139.14861	1.8
141.05461	5.3
144.21184	0.8
145.05017	1.1
149.09676	0.8
151.07571	0.9
151.11197	1.6
155.07091	2.5
168.06685	0.8
169.02654	0.9
169.08617	4.9
175.30339	0.9
183.10181	14.1
195.10190	4.8
197.11725	6.1
198.05765	0.8
209.11708	3.9
211.13286	5.2
223.13234	1.9
225.14816	5.0
237.14896	3.3
239.16393	5.8
249.87154	0.9
251.16457	3.9
253.17950	7.8
265.18045	5.5
267.19507	5.7
279.19608	3.3
281.21201	3.4
293.21152	2.9
295.22617	2.8
307.22775	1.1
309.24265	3.7
321.24207	2.6
335.25797	2.7
391.32080	39.9
392.32523	3.3
397.36273	0.8
409.28204	1.6
409.33163	16.6
410.33310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57428	2.3
61.97929	3.0
65.03944	4.4
65.04508	2.6
70.06596	3.3
73.32263	2.4
82.95184	2.1
99.02656	6.5
111.04456	3.4
111.72061	2.2
127.02135	27.7
132.25763	2.8
132.67557	2.9
139.03894	100.0
140.04254	2.8
151.03937	3.5
155.01601	65.7
163.02519	4.1
163.03886	27.1
165.05539	3.2
167.01674	3.1
178.63010	2.7
179.01591	7.9
183.01108	90.5
184.01405	3.7
191.01563	3.7
195.01059	3.1
196.04276	5.7
207.01157	3.2
214.84589	2.7
225.02199	3.9
242.04742	19.4
255.03188	23.4
265.15234	18.5
266.15631	5.7
269.04498	2.9
270.05161	6.4
272.05853	72.3
275.03857	3.8
303.03214	51.0
329.04880	8.4
347.05908	3.5
375.05328	8.7
392.07504	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	410.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.8
56.96568	26.3
56.99298	1.3
66.38165	1.3
66.43513	1.3
71.95251	1.3
72.08157	5.7
72.89698	1.4
72.96041	1.5
83.08654	3.1
91.05501	1.6
128.98639	2.5
155.03835	1.7
159.03302	1.4
163.85910	1.5
185.04816	1.4
188.12802	3.0
189.07982	1.4
195.06920	1.6
195.27596	1.3
199.06419	4.3
213.07982	13.9
217.07526	3.1
225.08006	4.6
229.07481	4.8
231.09013	9.9
236.09792	1.8
237.08002	3.5
239.09598	3.8
241.11163	11.1
243.09030	3.3
247.08472	2.2
251.09575	8.2
253.10927	1.4
255.09056	3.1
257.10593	3.7
259.12296	6.7
269.10590	44.4
287.11618	13.2
292.12067	3.7
310.96179	1.4
315.16479	1.4
326.44684	1.5
333.17307	19.8
351.18427	27.4
352.18677	2.0
369.19485	100.0
370.19995	6.4
375.20865	3.1
379.45264	1.3
387.20517	73.4
388.20868	4.8
392.27969	3.0
409.31393	1.8
410.22208	12.9
410.27328	2.1
410.32425	1.8
411.21313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.5
55.05433	2.0
56.04978	1.1
57.03366	2.4
58.06523	3.4
59.04947	0.6
61.02857	1.5
67.05420	5.4
69.03344	6.5
69.03751	1.4
69.07009	1.0
69.20753	2.0
69.21164	1.0
70.06508	5.6
71.04919	1.5
72.08064	3.5
73.02868	0.8
74.05988	2.5
79.05439	1.4
81.03330	3.0
81.06965	4.1
81.30490	0.5
82.06536	1.0
83.04942	0.7
83.08561	1.2
84.04422	3.8
84.08049	2.5
85.02814	11.9
85.03357	1.0
85.06454	1.2
86.06007	1.0
86.09608	2.6
87.04394	1.2
88.07576	1.3
91.05390	1.5
93.06950	3.2
95.04912	0.6
95.08591	2.9
96.08079	1.0
97.02887	5.2
97.06496	0.7
97.10058	0.7
98.22684	1.1
99.04375	1.5
107.08527	1.9
109.02778	1.7
109.06438	0.9
109.10161	6.2
110.07088	1.1
111.07983	0.6
119.08495	0.5
120.08112	7.2
121.06456	0.7
121.08447	3.5
121.10047	1.6
125.09595	0.9
127.03825	2.0
129.10156	1.0
133.10165	0.5
134.93489	0.5
135.08005	0.7
135.11627	1.6
136.07542	4.1
145.04871	1.5
149.09476	0.7
149.13254	3.0
155.10561	0.9
159.07487	0.8
167.14268	0.7
172.09641	0.7
173.11739	2.9
176.14246	1.2
177.12656	1.1
190.10741	1.2
194.15379	7.0
195.10158	0.9
195.13739	0.7
208.11726	1.9
212.16460	13.3
213.11127	1.5
223.10741	0.9
224.11118	1.1
230.17477	7.2
231.44037	0.6
248.18573	100.0
249.16019	1.1
249.18935	3.3
290.19656	1.5
374.21573	0.7
392.23087	1.9
401.00079	0.5
410.11920	3.2
410.24100	28.1
411.16312	0.7
411.24075	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44146	12.9
65.20718	11.8
65.44604	11.6
65.47318	10.9
82.80028	10.9
108.22194	10.4
113.09659	22.9
130.54158	11.7
140.62120	12.0
153.12755	36.1
166.93608	11.6
171.13702	14.4
174.96440	12.0
195.13734	19.7
213.14841	100.0
410.28906	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	410.2903
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
55.05490	1.1
56.04356	0.7
56.05032	2.3
57.03422	1.0
58.06601	18.4
59.91236	0.8
67.05503	2.9
68.05051	0.8
68.58031	0.7
69.03398	0.9
69.07088	1.6
69.11376	5.7
70.06596	3.6
72.08156	60.4
73.64880	0.7
79.05501	2.8
81.07059	3.2
84.08142	4.9
85.02892	1.1
85.08921	1.2
86.06052	1.2
86.09703	3.0
87.04470	1.1
87.06856	5.0
88.07625	1.1
91.05487	13.7
93.07047	1.4
94.06592	0.8
95.04955	1.2
95.08587	2.1
96.08134	2.7
98.23527	1.6
100.07622	13.9
101.08408	2.4
101.63780	0.8
102.09191	10.9
105.07043	2.7
107.04985	0.8
107.08599	0.8
109.10196	1.2
112.07610	2.2
114.09176	3.0
115.06315	2.0
117.07045	4.9
120.08083	1.3
125.05980	1.0
129.07021	1.2
130.08623	9.8
131.08574	5.1
132.10229	2.5
136.07597	3.2
143.08589	1.3
145.10146	1.1
148.07594	1.8
149.08391	1.0
154.08685	1.6
163.11150	0.9
170.11835	1.5
201.99617	0.8
238.03130	0.9
252.07106	0.8
253.98477	0.8
264.18945	0.8
271.44641	0.8
300.19562	5.4
356.25964	0.9
374.27118	7.0
392.28110	100.0
393.24197	0.9
393.28452	6.4
410.29025	43.9
411.17761	39.2
411.29269	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	410.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05513	100.0
57.07062	7.4
61.47808	2.1
67.05502	22.3
69.03432	2.3
69.07071	20.0
71.08640	3.4
77.80804	2.3
79.05487	17.3
81.03413	3.3
81.07061	27.8
83.04956	3.0
83.08621	68.6
89.06010	2.9
91.05493	12.0
93.07047	17.2
95.04973	6.1
95.08609	17.4
97.06516	8.0
98.98450	6.6
101.86344	2.6
105.07014	14.9
107.08595	11.5
109.10184	5.8
117.07046	6.3
119.08572	10.6
121.10156	8.6
123.08032	2.7
131.08531	7.0
133.10159	13.5
135.11700	12.6
137.09645	2.5
145.10149	8.6
147.11688	5.6
149.09633	4.1
149.13290	5.4
155.01047	12.5
155.46359	2.3
157.10204	3.0
159.11693	6.9
161.13278	4.8
163.11284	2.6
171.11588	2.5
173.13196	3.3
177.12810	2.7
181.12231	12.4
195.13850	9.9
197.13054	2.6
199.13353	5.1
221.49733	2.6
229.19414	2.6
239.17937	2.7
239.23703	3.0
242.43497	2.7
257.18945	3.7
275.20047	37.2
293.21115	3.7
357.27768	3.5
410.29532	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	31.1
60.49413	3.7
60.59267	3.2
69.04707	4.0
69.07056	4.2
69.22220	17.6
69.22620	6.0
69.68559	3.4
71.08628	25.0
73.06563	4.5
82.81030	3.7
83.08623	4.1
85.10188	20.4
89.06033	100.0
96.08842	3.6
97.10158	5.3
98.22609	5.9
104.99260	5.5
105.07073	7.1
119.56673	3.3
130.08633	4.5
133.08615	41.2
151.09703	5.0
177.11212	14.8
239.14874	37.2
243.23169	5.9
247.00488	4.2
292.45050	3.9
323.03275	3.8
393.32010	33.3
411.25085	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	411.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07645	0.8
56.96577	5.2
64.15831	1.0
66.89812	0.9
69.68012	3.1
69.68346	0.9
70.06599	2.7
72.08176	0.8
75.09317	0.8
79.05502	2.0
98.22726	1.1
98.97585	100.0
105.07035	24.6
113.23279	0.9
115.05470	1.3
116.98629	52.6
133.06494	66.6
134.06860	2.0
134.99660	18.5
140.00279	1.1
153.00757	1.2
158.99655	39.2
169.33275	1.1
177.00716	51.4
195.01810	3.7
200.02219	1.9
203.05328	1.4
219.01797	28.2
231.03276	13.7
237.02820	11.5
249.04378	22.7
250.04686	1.4
260.04419	1.6
267.05600	1.8
279.03864	16.6
291.05374	9.0
297.04892	2.2
411.12201	2.4
411.19965	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53485	0.3
50.53828	0.4
59.44571	0.4
64.33016	0.5
70.35275	0.9
72.08179	0.5
75.21436	0.4
85.58031	0.4
95.08566	0.6
97.38919	0.4
118.28901	0.4
121.79558	0.4
133.70068	0.4
137.67644	0.4
171.25134	0.4
225.73680	0.4
393.40326	0.4
411.17767	100.0
412.18179	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	411.1992
Annotation	Flumethasone
Peak:m/z	Relative Intensity
67.05498	0.5
69.07088	0.6
69.49197	1.5
70.06584	1.0
72.08163	0.9
77.02250	0.4
79.05497	0.5
81.03378	0.4
81.07044	0.8
83.05004	0.4
84.08131	0.5
85.02918	0.9
86.09708	0.5
93.07069	0.6
93.72150	0.3
95.08584	0.7
97.02845	0.7
98.09700	0.9
107.08571	0.5
109.10139	0.6
120.08109	0.6
128.10696	0.6
136.07607	0.3
141.63402	0.3
150.47562	0.4
153.83002	0.4
180.08676	0.5
186.56474	0.4
203.05156	0.6
231.13731	0.6
233.15144	0.5
235.70465	0.4
249.14662	0.5
249.83899	0.3
285.09439	1.0
339.58237	0.4
353.15720	4.6
404.38739	0.3
411.19861	100.0
412.20105	6.6
412.25766	0.8
412.30774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1995
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
52.03149	0.2
55.11408	0.2
70.06583	0.8
70.80961	0.2
71.21060	0.2
72.08148	0.2
83.08619	0.2
84.08137	0.2
86.09698	0.8
89.42197	0.2
91.05469	0.4
92.14397	0.2
93.07039	0.2
105.07014	0.2
120.08122	0.3
124.99983	0.3
182.45586	0.2
184.07341	1.1
203.05292	0.5
206.07852	0.2
230.21375	0.2
319.87280	0.2
353.15637	0.2
394.25586	0.3
411.19876	100.0
412.20258	7.4
412.26794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84328	0.2
69.61501	1.2
104.99271	0.3
112.95252	0.3
126.24104	0.3
204.39099	0.3
281.17249	0.5
359.58578	0.3
380.36710	0.3
411.27158	100.0
412.27521	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	411.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46523	1.9
74.37646	0.4
79.05505	0.5
83.53658	0.5
95.05007	0.5
98.38113	0.5
102.46729	0.4
114.71457	0.5
281.17352	0.8
343.57034	0.5
386.21692	0.5
411.27155	100.0
412.27676	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	412.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00779	0.7
55.05516	2.8
57.07076	3.4
58.41217	0.6
58.99586	3.2
66.75385	0.7
67.05495	4.2
69.07061	1.6
69.29336	1.4
69.29737	2.8
70.02930	0.7
79.05486	3.0
80.04998	0.7
81.07053	3.2
82.06558	1.5
83.08616	1.1
85.10172	3.9
86.00645	1.7
86.99066	1.5
91.05482	1.9
93.07025	1.7
94.06571	1.2
95.08606	3.9
97.10157	1.0
105.00062	0.7
105.07039	2.0
106.06580	1.2
107.08618	2.1
109.10159	1.1
111.02683	1.6
112.02197	3.1
113.00538	0.7
113.09628	3.1
114.03764	1.3
114.08672	0.6
115.73811	0.8
119.08547	1.0
120.08107	1.0
121.10133	0.9
125.09652	0.7
126.03735	7.3
133.10075	1.0
134.09615	1.1
138.03716	2.7
146.02528	0.7
150.03740	1.1
150.12805	1.2
152.01648	0.9
152.05312	1.1
160.79344	0.8
161.09662	0.8
162.03745	1.4
164.05255	1.1
172.04265	2.4
176.05363	0.7
180.13869	1.5
192.08447	1.0
193.06860	0.9
196.11720	0.9
196.13374	2.5
197.09969	2.2
198.02180	1.6
204.13763	0.8
208.11601	1.8
218.09956	1.8
224.11023	0.8
228.10503	0.7
236.11020	7.0
254.12096	7.6
255.12273	0.8
262.21552	1.3
264.10623	0.8
278.12128	1.2
282.11523	5.4
290.21164	0.7
292.20758	0.9
300.12653	7.9
320.20422	6.2
322.18582	0.8
330.19040	1.9
338.21533	2.9
348.19894	8.6
350.21457	1.4
366.20911	8.5
384.22055	2.0
394.20514	11.6
395.28210	0.8
412.21509	100.0
413.21738	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	412.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05260	2.0
55.05510	30.0
55.94882	1.0
58.99586	3.1
59.05021	1.0
67.05492	5.8
69.03409	2.7
69.07072	6.5
69.08587	6.0
79.05493	8.1
79.15304	0.9
80.75393	1.0
80.94860	1.7
81.07047	8.5
82.06571	1.5
83.04982	2.0
83.08621	15.6
86.00645	2.5
86.99049	2.1
91.05467	3.6
93.07035	3.9
94.06548	3.5
95.08607	3.7
96.92258	1.3
97.10165	25.9
98.22700	2.3
100.02187	2.0
104.99274	1.1
105.06999	1.9
107.08604	6.6
108.08109	1.0
109.10145	1.8
111.02674	1.4
112.02200	4.7
114.03753	2.8
119.08576	2.3
120.08061	2.0
121.10143	1.8
122.06049	1.5
122.09674	1.2
123.19070	1.2
124.02151	1.5
125.04214	1.2
125.09628	15.5
126.03734	23.2
135.08015	1.8
136.11148	1.7
137.04193	1.2
138.03722	2.7
138.12790	2.5
144.04773	1.0
150.03745	1.4
153.07312	3.4
154.06863	3.2
158.02672	1.3
159.03526	2.8
162.12762	1.2
166.59592	1.2
168.08417	2.2
170.09998	8.2
171.10359	1.0
172.04234	9.3
180.08408	3.7
180.13757	1.8
182.09970	1.5
189.11194	7.1
194.10078	2.7
196.11546	26.1
221.80600	1.1
222.09544	1.3
226.08946	1.9
233.11797	1.7
236.11052	1.1
240.10579	4.2
242.12096	54.7
243.12477	1.5
310.38074	1.1
320.20477	4.6
338.21310	1.8
346.92542	1.1
348.19803	11.4
350.21628	1.1
354.93488	1.1
366.21036	13.3
376.19458	3.5
377.97089	1.0
383.25909	1.0
394.20447	25.4
395.21051	1.4
398.01688	1.4
409.34329	1.0
412.21518	100.0
412.33243	6.4
413.22031	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01120	1.3
55.01879	3.0
55.05511	4.5
57.03438	26.9
59.04996	3.2
60.04537	1.5
61.02926	6.6
67.05499	2.1
69.03430	73.6
69.07068	2.7
69.39001	5.5
70.06595	17.5
71.04990	5.6
72.08149	2.7
73.02921	14.8
75.04466	1.8
79.05506	1.5
81.03412	3.8
81.07066	4.9
83.08630	5.1
85.02905	94.5
86.09691	8.8
87.04469	48.1
88.04770	1.5
91.03943	3.4
91.05504	2.7
93.07051	2.3
94.79219	1.2
95.04969	2.4
96.08131	2.1
97.02893	72.5
97.06533	2.2
98.09702	2.6
99.04476	5.2
103.03959	1.6
104.10739	3.1
105.07025	1.5
107.04984	1.7
107.08621	1.6
109.02908	4.9
111.08092	4.1
113.09679	1.5
115.03931	86.9
116.04276	2.0
125.09626	1.7
127.03908	16.4
129.09138	1.5
133.04970	100.0
134.05504	1.6
135.08067	1.8
139.07544	2.5
141.10196	2.0
145.04965	28.5
147.04413	1.5
150.07626	11.8
153.57988	1.5
155.10649	1.8
163.06023	13.7
167.10675	2.8
169.09737	2.3
179.10684	2.3
184.07344	3.3
185.11688	1.7
193.08557	2.8
197.11758	2.8
204.35451	1.4
215.12701	2.1
222.91000	1.3
223.05968	1.8
227.12762	2.5
229.07027	2.2
241.07117	2.2
245.13785	2.9
259.08209	6.1
263.14890	3.4
277.09146	2.3
295.10254	3.0
394.25760	2.5
412.19965	11.1
412.26175	7.5
412.31488	1.8
413.17276	3.0
413.21924	3.3
413.27100	3.2
433.40555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45979	0.7
55.05508	2.0
56.05040	1.0
58.06599	1.7
67.05505	2.8
69.07094	0.8
69.65683	2.0
70.06591	13.7
70.06979	0.8
78.77450	0.6
79.05483	4.8
81.07071	3.5
82.06575	1.9
84.04503	12.0
84.08132	1.3
86.06061	0.8
86.09697	1.2
91.05456	3.4
93.07043	4.1
94.06563	0.9
95.04952	1.2
95.08014	0.7
95.08607	2.6
96.08132	3.6
97.08907	1.2
98.09682	1.7
101.07166	2.6
105.07030	2.1
107.08587	3.3
109.10167	0.8
110.09677	1.7
110.45477	0.6
111.88775	0.7
119.08602	1.6
121.10161	0.9
129.06619	1.3
130.05006	13.8
130.05898	1.3
131.08551	1.1
133.10118	0.9
147.07635	3.3
147.11641	0.9
151.34158	0.7
164.14325	1.0
184.07346	2.0
247.21675	11.3
248.20082	23.5
249.20522	1.3
265.22751	8.1
266.21118	27.9
267.21481	1.4
284.22147	7.2
349.24973	1.2
366.27612	0.9
367.25729	1.5
377.24390	1.6
394.26944	5.0
395.25311	4.5
412.28040	100.0
413.28442	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.93509	0.4
56.05035	1.2
63.51895	0.4
69.38079	1.1
69.38481	0.8
70.06596	14.8
71.06941	0.4
72.08160	3.0
74.06081	2.8
75.52372	0.4
84.04517	0.4
84.08133	1.6
85.02922	0.4
86.09705	1.6
102.05536	1.6
110.07172	1.4
116.07058	2.0
119.03552	2.6
120.06585	9.0
120.08052	0.5
121.01183	0.4
129.10248	0.6
136.06187	100.0
137.04642	1.8
137.06595	1.0
148.07545	0.5
156.07701	0.5
162.04117	63.8
163.04393	1.1
169.13326	0.7
171.11288	1.0
186.14902	1.7
197.12904	0.8
199.10800	1.4
213.12341	0.9
217.11906	0.4
281.09943	55.6
282.10172	2.2
294.08456	0.6
296.11279	0.7
298.17587	1.7
413.13434	0.7
413.18564	0.9
413.24112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69544	2.5
63.00856	2.6
66.69579	2.2
70.06571	4.5
89.21939	2.6
100.02428	3.0
101.00872	10.5
103.05472	7.3
118.03529	13.7
119.01918	56.6
120.08101	100.0
121.08417	3.4
128.45798	2.4
131.04958	3.9
137.02972	14.8
147.00117	4.0
160.06070	2.5
178.07126	3.4
202.07147	9.0
203.05602	4.4
206.06609	21.3
216.07486	4.1
221.06689	15.9
224.07668	7.8
226.02368	3.1
230.06474	3.7
239.07626	3.6
239.70857	2.6
242.08792	17.0
248.07675	63.5
249.05945	5.8
266.08765	54.8
267.06915	3.5
325.13928	4.0
335.12338	10.6
353.13443	20.4
354.13370	2.9
371.14511	66.4
372.14719	7.8
413.14224	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	413.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60094	1.2
62.41478	1.0
66.53751	1.0
66.90688	1.1
70.41737	2.4
80.94846	1.5
84.41341	1.3
96.92243	1.8
143.15631	1.1
201.05191	4.1
216.07562	31.8
216.09526	2.1
217.08345	1.8
225.59518	1.2
236.12627	1.2
293.21051	1.4
302.01694	1.4
402.60959	1.3
413.15698	100.0
414.16019	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	413.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09927	1.1
67.21982	1.4
70.33942	1.1
70.70032	2.0
79.69133	1.0
122.59631	1.2
181.20354	1.1
203.06795	1.3
210.88506	1.2
217.04773	2.4
232.07062	32.0
232.09285	2.2
233.07826	3.9
242.18430	1.2
413.15707	100.0
414.16104	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1576
Annotation	Viscosol
Peak:m/z	Relative Intensity
55.05524	1.7
57.03425	2.0
67.05503	6.5
68.05822	1.4
69.03413	4.0
69.07076	3.6
69.23473	5.8
70.06593	6.3
71.05006	3.0
72.08152	6.8
73.08474	1.9
79.05505	5.1
81.07072	7.4
83.04983	2.8
84.08158	1.7
85.02901	2.5
85.06523	1.6
86.09700	5.2
91.05482	6.3
93.07046	7.4
95.04971	3.1
95.08610	5.1
97.06525	2.6
98.09692	4.0
98.23448	3.6
105.07036	4.9
107.08617	3.3
109.06525	3.8
109.10162	1.5
110.09676	3.2
117.07063	1.8
119.08586	3.4
120.08103	5.3
121.06522	2.0
121.08454	2.3
121.10233	1.8
125.06010	1.6
127.03951	1.3
127.07568	2.0
129.50035	1.6
131.08589	2.8
133.06456	2.6
142.12329	2.5
145.10150	4.9
147.11693	1.8
149.09627	2.1
151.07570	2.8
159.11743	3.0
163.11208	3.2
169.10182	1.6
170.11810	1.9
173.09662	2.2
177.12952	1.6
187.11209	3.1
191.10651	3.3
205.12318	3.2
210.04692	1.6
219.14964	1.9
233.11758	3.7
233.15416	1.5
238.03804	1.9
251.12791	6.9
251.16295	4.1
269.13815	1.9
272.25418	1.4
351.25104	3.2
352.28445	4.3
412.30951	11.5
413.15747	100.0
413.21426	42.7
413.25479	7.8
413.30789	5.7
414.15726	7.1
414.23621	3.5
414.32645	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1614
Annotation	Viscosol
Peak:m/z	Relative Intensity
56.96562	1.2
69.31332	5.5
75.53575	0.9
80.94848	1.8
85.46342	0.9
94.66101	0.9
96.92219	1.7
99.41930	1.0
106.13240	0.9
112.18489	1.0
118.01078	1.0
227.57576	1.1
235.69910	1.2
267.05176	1.1
331.15970	2.6
333.19122	4.2
349.16824	11.4
371.15247	1.1
394.46146	1.0
412.33936	2.0
413.16098	100.0
414.16449	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	413.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21643	0.4
55.01888	0.4
55.05527	0.4
61.61183	0.3
67.05533	0.8
69.03442	0.7
69.07082	0.8
70.06599	1.0
72.08160	1.1
79.05512	0.8
81.07058	1.2
85.02853	0.4
85.06551	0.5
91.05500	0.6
93.07052	0.9
95.04973	0.5
95.08616	0.7
97.06519	0.5
98.09726	0.9
105.07054	0.8
107.08578	0.8
116.24371	0.4
119.08585	0.8
120.08107	0.4
121.10148	0.4
131.08577	0.4
133.10139	0.6
135.11774	0.4
145.10115	0.4
159.11804	0.6
185.04213	7.2
251.12553	100.0
252.12805	4.2
269.12347	0.7
287.13440	0.6
369.18613	0.4
381.17654	0.4
412.30524	0.8
413.17700	88.7
414.18124	5.9
414.23169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1935
Annotation	Bisindolylmaleimide I
Peak:m/z	Relative Intensity
54.37741	0.4
58.96640	0.5
65.06470	0.4
68.18780	0.5
69.10834	0.9
69.11243	2.4
70.51865	0.5
75.66090	0.4
91.05462	0.6
95.23864	0.4
398.17102	0.6
413.19330	100.0
414.19620	8.5
416.48880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2151
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.33073	0.3
55.01879	0.3
55.05501	0.4
57.03428	0.7
59.70690	0.3
66.34653	0.3
67.05497	0.4
69.03423	0.8
69.07065	0.5
69.64757	0.3
69.75089	1.0
70.06589	1.2
71.05003	0.3
72.08150	0.7
79.05502	1.1
81.03419	0.5
81.07050	1.2
83.04983	0.8
84.08140	0.6
85.02899	1.1
86.09714	0.9
91.05500	0.6
93.07070	1.5
94.84512	0.3
95.04980	0.7
95.08618	0.6
97.02909	0.8
97.06541	0.5
99.04435	0.3
105.07040	1.3
107.04959	1.1
107.08578	0.9
109.02903	0.4
109.06529	0.7
117.07012	0.5
119.08566	0.9
120.08106	1.5
121.06493	1.0
122.27567	0.3
125.06041	0.4
127.03919	0.6
131.08545	0.5
133.10129	0.3
135.08028	0.6
137.05981	0.5
138.63513	0.3
145.05083	0.3
145.10124	1.6
159.11713	0.9
161.09482	0.4
163.11153	1.9
169.10110	0.3
173.09619	1.2
182.10922	0.3
187.11194	1.2
191.10692	1.0
203.05278	1.3
205.12314	0.5
215.10684	1.3
221.12852	0.8
227.12720	0.3
233.11789	1.8
233.15193	1.0
251.12724	1.2
251.16267	0.7
311.05746	0.3
351.24847	0.5
365.06360	0.3
383.20380	1.2
395.20541	2.4
413.21432	100.0
414.21817	6.5
414.27960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2024
Annotation	isariotin F
Peak:m/z	Relative Intensity
56.05032	9.7
57.03431	0.9
58.06595	5.2
58.93132	0.3
64.30463	0.3
67.05507	0.4
69.07059	0.5
70.02959	0.7
70.06585	0.5
70.11459	0.7
72.08160	0.9
73.04040	1.2
74.06075	16.2
79.05476	0.5
81.07062	0.4
84.04014	0.5
84.04503	7.0
85.02905	0.6
86.09695	0.9
91.05471	3.6
93.07048	1.5
95.04964	0.3
95.08595	0.4
97.02876	0.3
98.09708	0.6
101.07135	18.1
102.05526	0.6
102.07458	0.5
103.05450	2.7
103.06945	0.3
104.06252	0.2
105.07041	2.3
115.05470	0.7
117.07036	1.4
118.06592	0.6
119.07330	3.0
119.08583	0.3
120.08098	81.8
121.08453	1.8
123.15971	0.3
124.53844	0.3
129.07021	0.6
130.06514	2.0
131.08548	0.5
132.08084	3.3
134.09604	0.4
142.12213	0.5
143.07251	1.0
143.08398	0.5
144.08070	0.3
149.06053	0.3
158.09645	12.1
159.10069	0.5
160.07628	1.5
160.11185	2.9
166.08630	5.8
176.10698	12.3
177.10184	5.3
178.08627	0.3
186.09068	0.5
203.11778	1.4
205.09683	0.3
215.86049	0.3
221.12837	100.0
222.13156	4.8
249.12337	25.1
250.12685	1.1
283.05792	0.3
310.34152	0.3
313.15448	3.9
314.15891	0.3
337.07083	0.4
378.26193	0.3
396.27176	0.8
408.40176	0.3
414.20712	0.5
414.28210	2.2
414.33121	0.5
415.19040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58675	1.3
53.41963	1.3
55.05511	8.7
66.37005	1.3
67.05503	6.5
70.12957	1.2
70.90314	2.4
79.05491	5.4
80.94838	2.0
81.03422	3.1
81.07045	7.5
83.04996	1.7
83.08607	3.6
85.02927	1.9
91.05467	3.9
93.07039	4.8
95.04966	32.5
95.08595	4.1
97.10174	3.4
98.97591	4.0
105.07035	3.2
107.04947	2.4
107.08567	3.8
109.10139	3.2
111.08073	2.3
116.98618	3.5
117.06987	2.1
119.08569	3.7
120.44131	1.5
121.06460	1.8
121.10152	2.9
123.08060	2.0
125.09609	2.3
133.10146	1.3
134.99670	1.6
135.11621	1.5
140.31480	1.4
144.56366	1.3
145.10143	2.7
147.08075	2.0
149.09625	5.9
159.11694	2.5
160.03398	1.3
163.11191	10.3
171.71655	1.3
196.11606	1.7
205.12206	3.1
223.13284	12.4
229.19550	1.4
240.20985	1.2
242.12169	2.5
271.90695	1.6
274.97534	4.4
275.20096	7.7
275.22598	1.2
292.98523	2.4
293.21091	100.0
294.21359	5.8
302.53595	1.4
318.94739	1.7
414.23065	6.7
414.37131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05754	1.5
51.28142	1.8
55.01870	3.5
56.05046	2.2
57.03435	26.4
58.06591	1.8
58.53561	1.4
59.45774	1.3
60.04555	1.9
61.02666	1.4
61.02924	8.1
67.05502	2.5
69.03426	47.0
69.07080	1.6
69.61492	5.8
70.06600	6.3
71.01358	2.8
71.05009	2.1
72.08159	4.1
73.02914	30.8
74.06076	7.1
79.05480	4.0
81.03413	5.2
81.07080	2.2
83.04980	2.7
84.04508	3.9
85.02904	100.0
86.03243	1.6
86.09716	3.8
87.04468	23.8
91.03960	5.1
91.05465	2.9
93.07019	1.7
95.04963	3.2
95.74200	1.5
97.02892	54.4
98.09672	3.5
99.04453	3.9
101.07131	9.6
105.07018	3.2
107.04906	1.9
109.02878	8.6
109.06520	2.1
115.03926	54.9
115.04699	3.1
120.08099	26.8
121.02862	1.9
127.03912	24.1
133.04964	49.6
135.11818	1.7
145.04955	49.2
146.10464	1.9
150.07616	8.8
158.09685	5.6
163.06012	22.5
166.08609	2.0
176.10693	3.1
221.12846	32.7
221.14940	2.3
223.06030	2.4
234.15619	1.6
238.04039	2.4
241.07150	2.5
249.12303	5.7
259.07953	2.9
265.16476	3.5
277.09055	1.7
283.05975	2.5
289.14694	1.8
295.05984	6.6
295.10043	1.9
297.07889	2.3
302.15286	1.8
309.07434	1.8
321.07739	1.9
325.07074	3.3
332.68579	1.8
333.07712	2.2
349.07120	2.7
379.08124	5.7
396.27176	2.7
397.09012	4.2
414.21942	12.0
414.28326	5.7
414.32733	3.3
415.10004	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	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05490	1.4
57.03439	22.5
58.06595	1.8
59.04993	2.0
61.02939	9.1
67.05509	2.2
67.58481	1.2
68.65684	1.2
69.03432	48.4
69.07054	1.4
69.22000	1.3
69.75050	2.3
69.75427	4.1
70.06599	10.0
71.01325	1.6
71.04974	2.6
72.08156	5.0
73.02921	31.5
74.06073	5.7
79.05496	4.2
81.03413	5.4
81.07065	2.9
83.04987	2.3
84.04503	3.1
84.08163	1.7
85.02905	100.0
86.03249	1.7
86.09710	4.9
87.03933	0.9
87.04465	26.5
91.03957	3.2
91.05463	3.2
93.07043	3.9
95.04969	2.0
95.08574	1.7
97.02897	58.7
97.06535	1.5
98.03195	1.5
98.09703	4.3
98.22739	1.7
99.04465	5.3
101.07143	6.3
103.05454	1.4
105.07013	3.2
107.08531	1.3
109.02898	6.5
109.03539	1.5
111.04514	1.4
115.03933	64.0
119.04957	1.6
119.08604	1.7
120.08105	28.3
121.02882	2.3
127.03915	23.6
131.08595	1.8
133.04965	60.4
134.05305	1.8
142.12231	1.4
145.04959	58.0
145.10152	1.7
150.07628	7.9
158.09666	4.9
163.06012	24.5
166.08676	2.2
169.50789	1.2
176.10686	4.9
177.01729	1.5
190.93724	1.3
195.02875	2.2
215.03271	1.3
221.12860	28.9
221.14925	2.5
223.05972	2.9
241.07085	3.5
249.12387	10.0
259.08115	4.7
265.16513	4.4
283.05899	2.7
295.06042	11.1
295.09949	2.5
302.14874	2.3
307.05923	2.0
313.07001	1.7
325.06995	3.5
333.07889	1.9
349.07156	3.6
376.03625	1.4
376.08734	1.5
379.08218	11.1
391.12180	1.6
396.27280	3.1
397.09106	2.5
414.17084	1.5
414.22125	9.1
414.28259	9.8
414.32394	7.3
415.10040	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	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
53.05598	0.5
55.05511	19.6
57.07077	12.0
58.06597	1.9
67.05511	1.5
67.22334	0.6
69.07068	28.4
69.75925	1.6
71.08633	7.1
79.05493	1.4
81.07065	3.5
83.04958	0.7
83.08123	1.0
83.08620	20.6
85.10190	3.6
86.56560	0.5
91.05476	1.2
93.07037	1.7
95.08611	3.1
96.66991	0.5
97.10169	16.4
102.05540	11.9
104.07103	100.0
105.07443	1.0
107.08590	1.3
109.10139	0.9
111.11720	7.9
119.08585	11.5
121.10123	1.1
123.11699	0.7
125.13261	3.0
135.11688	1.4
137.13176	0.5
139.14912	0.6
151.35400	0.6
151.36954	0.5
155.14273	0.7
157.55438	0.5
163.14873	1.4
169.29601	0.5
209.19043	0.9
248.20209	0.5
275.27362	2.0
293.28366	10.6
311.29028	0.6
318.50708	0.5
336.79532	0.5
364.32138	1.1
396.34711	19.8
397.34921	0.9
414.35675	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40700	21.8
72.08148	10.6
86.09706	27.0
98.23472	11.9
98.97578	32.7
116.98627	27.6
118.39368	5.3
123.10877	6.4
134.99635	10.9
137.32162	5.1
152.78526	6.5
180.64519	6.5
219.47270	5.6
256.96515	10.5
274.97528	63.1
292.98602	25.4
297.99149	8.0
397.16727	8.0
415.13358	100.0
415.19281	20.1
416.20404	13.8
423.06241	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	415.177
Annotation	FO 608B
Peak:m/z	Relative Intensity
51.21122	0.5
55.17976	0.4
69.63376	1.8
79.05481	1.0
80.94831	0.8
82.94561	0.7
90.02401	0.5
91.05473	7.4
93.07089	0.9
98.22728	0.7
98.97582	1.3
103.05511	0.8
107.08578	1.1
113.17714	0.5
116.98579	0.6
117.07021	2.0
119.08583	100.0
120.08936	2.1
133.06525	1.2
135.08075	1.2
274.97345	0.8
318.07562	3.1
333.17636	0.9
355.15579	6.4
369.54193	0.6
373.16647	5.2
396.18240	1.3
397.16626	11.4
398.17090	0.7
415.17572	4.0
416.20688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56524	0.5
58.95535	0.5
69.25714	2.4
76.71397	0.5
81.07040	0.9
91.05464	3.0
93.07052	1.0
95.08598	0.8
107.08578	1.0
117.07016	0.8
119.08579	38.9
120.08908	1.3
133.06479	1.2
135.08034	1.1
141.46254	0.5
241.51042	0.6
289.16620	0.6
296.85544	0.6
329.20801	3.0
369.04565	0.5
415.28171	100.0
416.20682	1.7
416.28287	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	415.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49915	0.6
60.21259	0.5
63.53254	0.5
63.84068	0.5
64.22840	0.5
66.06450	0.5
66.50418	0.5
70.62814	0.9
81.28549	0.5
91.05485	2.9
92.98537	0.5
94.79317	0.4
107.08586	0.9
117.07035	0.8
119.08578	34.0
119.21828	0.6
120.08930	1.2
124.29214	0.5
151.48337	0.6
256.98068	0.6
304.50327	0.6
352.01050	0.6
415.28165	100.0
416.20306	1.6
416.28503	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	416.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01862	2.5
55.05504	2.1
56.05028	3.0
57.03438	4.8
57.05818	0.8
58.06598	0.9
60.04551	0.9
60.05651	0.7
61.02929	8.5
69.03432	14.2
69.07071	1.1
70.06591	25.7
70.15504	1.5
70.15839	1.1
71.04996	1.9
71.06924	2.5
72.08156	24.7
73.02908	4.8
73.08483	0.9
74.06078	10.3
74.09718	1.9
75.05611	1.2
81.03413	5.2
81.48295	0.7
82.06556	0.9
84.04517	5.3
84.08143	20.4
85.02906	100.0
86.03209	1.1
86.09187	1.5
86.09708	26.1
87.04479	2.8
87.05594	1.2
87.10056	1.8
91.03940	6.9
96.08092	0.8
97.02892	22.5
99.04445	3.0
101.07138	1.5
101.10777	1.2
102.05547	1.2
108.26103	0.8
109.02890	7.9
109.10712	0.8
110.07200	2.5
110.09711	2.4
112.08720	2.1
113.07123	0.9
115.03902	0.7
115.08694	1.1
116.07098	3.0
120.08088	1.2
127.03912	27.5
128.10721	9.7
129.10240	17.0
130.05020	3.0
133.06125	2.4
143.11780	4.8
145.04959	57.5
146.05319	1.5
147.07643	4.7
156.07634	1.6
157.09665	1.0
163.03896	2.4
163.06021	27.5
171.11362	4.6
171.15021	0.9
173.09245	2.1
175.11954	1.3
181.04997	1.3
185.09309	1.0
185.12915	1.3
197.12827	1.0
199.14258	1.0
200.13977	0.9
201.08830	1.1
203.10271	1.8
204.10535	1.2
217.11841	1.1
219.13371	1.4
225.17168	1.0
229.11789	1.0
232.12920	1.6
237.13399	3.3
239.17575	0.8
246.14476	5.9
254.15007	0.9
254.17525	3.0
260.16159	0.8
284.16245	0.7
284.19632	1.1
287.81815	0.8
302.39160	0.8
306.24579	0.8
310.04849	0.8
325.11264	1.9
388.63757	0.8
415.74634	0.9
416.21283	1.9
416.26492	9.6
417.24588	2.8
424.90836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.5
60.05647	0.7
69.07050	0.9
69.99591	0.4
69.99914	0.7
70.06592	3.0
72.08157	0.4
77.00913	1.3
79.93700	0.4
84.04529	0.5
86.09707	27.2
89.76205	0.4
97.06530	0.6
108.81892	0.4
124.94346	0.4
126.07663	0.6
130.03461	1.0
131.01906	0.6
132.10205	1.2
132.47012	0.5
142.07156	3.8
144.08701	3.9
144.71873	0.4
147.06505	0.4
154.07120	2.3
160.08189	5.5
162.09766	3.4
162.68486	0.5
172.08192	22.7
173.06555	1.3
173.08160	0.5
174.09741	1.3
175.11893	2.0
189.10835	0.9
190.09286	3.1
191.07730	2.1
191.09239	0.6
202.09068	0.5
207.11935	1.3
208.10335	2.7
215.06966	0.8
221.15074	0.5
226.09299	0.4
227.16078	0.9
238.14922	0.5
239.15967	2.2
240.14349	2.0
242.15945	0.8
255.15511	1.5
257.17072	6.1
258.15472	1.6
267.15543	2.5
268.13940	1.0
273.16586	1.8
275.18176	6.2
276.18289	0.5
285.16574	25.7
286.14883	1.6
286.17172	1.1
303.17642	100.0
304.17874	7.0
305.17972	0.5
321.18716	8.6
322.18832	0.5
326.19290	1.5
384.51318	0.4
385.61679	0.5
416.15359	0.5
416.20596	1.8
416.26089	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.9
57.03436	24.4
67.05508	27.3
69.07068	12.3
69.80334	20.3
70.06583	9.2
75.44304	8.6
79.05487	44.7
81.07056	35.8
85.02907	9.0
87.07078	8.6
91.05463	46.0
93.07044	40.1
95.05011	8.6
95.08617	35.1
99.08128	10.7
105.07025	52.1
107.08597	19.4
109.06512	10.6
109.10162	11.0
117.07024	29.7
119.08590	54.2
121.10146	18.1
129.07037	18.2
131.08586	30.2
133.10123	33.7
135.08035	8.3
143.08580	20.6
145.10164	37.7
147.11691	22.5
149.09576	9.9
157.10100	20.6
159.11723	44.9
161.09700	7.8
161.13266	15.2
163.11226	11.9
171.10295	8.4
173.13322	22.3
174.12794	12.5
185.13243	37.8
201.16330	8.2
203.14334	23.2
219.17410	17.6
229.19444	9.5
239.17960	23.0
257.18903	38.8
275.20096	59.6
288.16095	9.4
349.23785	79.4
398.19662	10.6
402.06665	7.6
416.20639	100.0
416.27243	27.3
417.20551	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	416.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87752	11.4
55.05515	14.3
59.93452	8.7
63.95002	8.9
67.05504	28.8
67.86534	10.3
69.07058	21.1
69.87466	24.1
70.06622	10.5
76.90998	9.1
79.05498	18.5
81.07045	50.6
91.05480	22.4
95.05000	13.3
95.08636	18.3
105.07029	16.6
107.08594	16.4
109.06532	19.8
119.08550	17.3
121.10149	11.7
131.08620	9.9
133.10121	21.7
135.11691	11.0
138.37781	10.2
147.11642	14.7
151.61897	10.1
164.64339	10.2
254.69022	11.1
275.20038	66.5
289.16562	12.5
293.21228	11.7
349.23578	63.9
357.74857	10.4
363.21591	12.3
367.24704	53.9
374.18439	13.5
398.19556	15.5
416.20831	100.0
416.26270	19.1
417.21628	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	416.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	2.7
62.48277	2.3
67.05498	6.2
69.07072	4.1
79.05491	5.5
81.07067	12.8
83.08619	2.3
88.07638	2.5
91.05469	12.2
93.07047	5.7
95.08641	3.8
97.06552	2.6
103.52219	2.2
105.07014	5.0
107.08624	4.1
107.67129	2.6
109.06526	3.1
109.10180	2.5
111.29086	2.3
117.07018	2.8
119.08581	100.0
120.08922	51.5
121.06472	2.3
121.10165	4.6
133.10129	2.7
135.08022	3.0
147.11685	2.9
160.96707	2.5
174.12807	2.9
229.30812	2.6
275.20093	18.0
349.23709	14.7
359.37155	2.2
367.24838	23.4
372.15372	5.3
381.22556	2.5
398.36322	3.7
416.20627	28.5
416.26382	5.6
416.31775	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
65.03947	0.5
66.04724	0.3
67.05498	0.2
71.05022	0.1
71.44883	0.2
77.03910	0.2
78.04712	0.3
79.05498	0.8
80.06276	0.7
81.07082	0.2
90.04691	0.5
91.05476	3.5
92.06256	0.2
93.07056	0.3
95.04987	0.8
103.05514	0.2
105.03391	0.4
105.04507	0.2
105.07032	0.5
106.04163	0.7
107.04948	6.6
108.05750	3.0
109.06521	0.3
110.76495	0.1
115.05486	0.3
117.07007	0.3
118.04174	0.4
119.04923	0.2
119.06036	0.3
120.05703	0.2
121.02872	0.2
121.06534	1.0
123.08121	0.3
131.04910	0.2
132.05695	0.3
133.06482	1.1
135.04419	2.0
136.05194	3.2
137.05989	0.7
137.45448	0.1
139.07542	0.3
145.06430	0.8
146.07289	0.3
147.08035	0.4
148.05170	0.9
149.05954	0.3
150.06728	0.4
151.07535	100.0
152.07863	2.6
158.07271	0.2
160.05176	0.4
161.04694	0.3
161.05980	3.7
162.06682	0.5
163.07535	2.8
165.09084	0.8
166.06247	1.9
171.08156	0.2
172.08746	0.2
173.05943	0.2
174.06769	0.2
175.07547	3.8
176.08322	12.1
177.05467	0.8
177.09059	1.7
179.07025	6.7
179.10628	0.2
180.07327	0.2
181.08594	8.5
182.08945	0.4
188.08340	0.7
189.09091	0.8
191.05273	0.2
191.07018	4.5
192.07780	1.3
192.56142	0.1
193.08578	0.3
195.06496	0.6
195.10133	0.4
201.09134	0.6
202.09862	0.2
203.06850	0.2
203.08853	0.2
203.10675	0.7
204.07883	0.2
205.08673	0.3
207.10153	19.4
208.10478	0.5
209.08023	0.2
215.10654	0.3
217.08504	0.2
219.10182	0.5
228.24420	0.2
231.10126	0.5
247.09622	0.3
260.08414	0.2
261.09033	0.2
265.10614	0.2
275.10541	0.3
276.54749	0.2
277.12271	0.2
279.12244	1.1
282.17389	0.5
283.17587	0.3
288.11401	0.4
291.10135	0.5
292.10739	0.3
293.11841	0.7
303.10059	0.4
304.11035	0.3
305.11478	0.2
307.13126	0.4
308.14059	1.6
309.10983	0.2
309.14453	0.2
318.12436	1.2
319.09787	0.3
319.13181	1.0
320.10217	0.2
321.11044	0.3
323.12808	0.2
324.13519	0.3
334.11874	0.5
335.12766	1.1
336.13528	0.4
339.12146	0.3
339.15906	3.8
340.16418	0.2
349.14328	5.3
350.14999	1.7
351.11966	0.2
355.15216	0.4
357.24792	0.5
366.14835	0.2
367.15396	5.9
368.15628	0.6
375.25946	0.2
381.16913	2.8
393.21686	0.1
399.17981	5.5
400.18384	0.3
416.26782	0.2
417.19025	2.0
417.27008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1925
Annotation	Gomisin O
Peak:m/z	Relative Intensity
56.96566	1.1
61.08647	1.1
69.07070	1.8
69.53320	4.5
70.06603	2.0
70.11190	1.1
79.05538	1.6
81.07083	1.4
83.04946	1.5
86.09730	2.9
88.07639	4.7
98.91974	1.7
119.08577	2.3
120.08964	1.8
122.70264	1.3
131.97754	1.1
135.11739	1.2
256.26242	2.3
287.53809	1.5
317.17813	3.6
335.19000	8.6
353.20004	3.3
357.17575	2.1
375.18121	11.5
375.43494	1.2
399.18176	100.0
400.18546	7.8
416.28204	2.0
416.37097	8.0
417.19287	22.6
417.28427	2.8
417.37256	3.7
418.19995	1.4
418.39087	1.8
440.20853	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	417.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.1
55.19141	0.5
56.05036	0.9
57.05819	1.3
58.06599	1.5
60.04536	1.2
69.03436	0.8
69.07069	4.7
69.88213	0.9
69.88535	1.0
70.06592	10.4
72.08155	100.0
73.08492	1.9
74.06080	2.4
75.05608	1.1
77.08747	0.5
80.46657	0.5
82.06557	0.8
84.04503	7.9
84.08165	2.7
85.02887	1.1
86.09705	77.6
87.10044	1.8
88.03997	1.1
102.05552	5.6
108.08130	1.0
110.07178	1.4
112.08743	1.0
115.08690	0.6
116.07095	2.6
127.08685	1.0
128.10757	1.0
129.10236	13.0
130.05006	4.5
140.28325	0.5
141.10182	0.6
143.11792	10.7
147.07617	0.6
148.06044	16.1
157.09753	3.5
157.13324	0.8
161.09253	1.1
169.09563	0.7
171.11278	16.5
173.12831	1.8
183.11273	1.8
185.12799	1.2
185.16452	2.3
187.10764	3.2
189.08524	0.8
189.12315	4.0
199.10817	0.8
201.12311	4.9
203.13857	2.6
205.11798	2.5
213.15881	2.5
215.10196	2.1
217.11809	1.0
220.16930	1.2
225.15971	5.2
229.11725	2.9
229.15422	1.4
233.11250	1.2
238.17955	2.5
243.13315	0.8
247.12883	24.5
256.19070	4.6
261.14288	0.8
270.18118	12.3
271.18289	1.1
282.68771	0.6
284.19516	1.9
302.17044	1.3
304.15054	5.0
315.14435	0.7
399.22192	1.7
417.23566	8.8
418.24335	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	417.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18746	0.3
55.05503	0.5
56.05043	0.4
57.03439	0.5
60.04534	0.3
67.05499	0.5
69.07072	1.5
69.47915	1.1
70.02935	0.6
70.06599	3.5
72.08156	6.6
73.02917	1.9
74.06080	0.9
79.05491	0.3
81.03426	0.4
81.07065	0.6
84.04487	0.7
84.08147	1.0
85.02891	0.3
85.04037	0.6
86.02425	0.4
86.09707	100.0
87.05576	0.3
87.10027	1.6
88.03992	4.5
91.05491	0.3
93.07041	0.3
95.08600	0.7
96.04535	0.5
96.08131	1.0
97.48262	0.3
97.80737	0.3
98.02415	2.0
98.09679	0.7
98.23510	0.3
99.08024	0.4
100.03987	2.1
102.05575	0.3
104.05358	0.3
110.07182	0.6
112.08747	0.4
113.07109	0.4
113.10753	1.5
114.09155	0.4
116.07090	0.7
120.08061	0.7
124.03962	0.4
127.04990	0.4
127.08666	0.4
129.10211	0.3
138.09135	2.6
141.10214	5.6
142.08601	0.7
142.12254	0.3
143.11794	0.8
145.09766	0.5
146.11768	0.6
155.08160	0.5
155.11766	0.7
156.10205	6.2
157.13322	0.3
159.11310	1.4
166.08617	0.9
173.09221	0.7
173.12865	0.3
183.11319	3.4
184.09723	1.6
187.10785	1.0
189.12337	23.9
190.12599	0.9
199.17960	0.4
201.12344	41.5
202.12651	1.3
212.09225	0.4
217.15475	0.8
227.17487	0.4
229.11832	29.3
230.12122	0.8
231.16946	0.8
233.15045	0.4
245.18643	0.8
247.12956	0.8
279.88959	0.3
286.17401	0.4
296.19730	1.1
297.18073	0.6
312.19159	0.4
342.20224	3.1
399.29474	1.7
414.80786	0.3
417.15567	0.5
417.20566	0.7
417.25433	0.6
417.30331	3.7
418.31360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03947	1.4
55.01868	1.0
55.05510	10.7
55.93487	0.4
57.03435	5.5
57.07072	5.1
65.03936	1.1
67.05503	51.6
68.05870	0.5
69.07064	11.6
69.86199	0.5
69.86517	1.0
70.06573	0.4
71.04987	1.0
71.08614	2.3
77.03882	0.4
79.05489	14.8
81.03413	0.9
81.07053	60.9
82.07386	1.2
83.04987	1.2
83.08619	8.4
85.06541	1.5
85.10181	1.1
91.05481	9.5
93.07043	15.2
94.07408	0.5
94.56269	0.4
95.04953	2.5
95.08603	51.0
96.08917	0.9
97.06508	3.7
97.10184	3.4
98.98464	78.3
99.08073	3.1
105.07024	6.5
107.08590	10.0
109.06501	0.8
109.10154	26.7
111.08085	2.1
111.11708	1.1
113.09632	1.3
114.99098	0.4
116.99518	1.4
117.07047	0.5
119.08575	6.7
120.08989	0.4
121.10147	12.2
123.08070	1.8
123.11704	11.3
124.99951	0.6
125.09639	1.5
125.13259	0.7
127.11189	0.9
133.10123	8.0
135.11685	6.6
137.09601	1.8
137.13249	7.4
140.01144	0.4
141.12743	1.1
147.11690	5.7
149.13243	6.4
151.11188	0.8
151.14809	6.5
155.01033	100.0
156.01355	1.1
161.13252	6.0
163.14819	5.3
165.12733	0.7
165.16397	3.9
167.14284	0.5
173.02008	0.8
175.14819	5.1
177.16356	1.0
179.17921	1.8
181.15825	0.8
189.16351	2.7
191.17976	0.7
193.15881	0.7
201.50909	0.4
203.18031	0.5
207.17456	0.5
217.19592	0.4
217.53242	0.4
225.11235	0.4
245.22633	21.6
246.22951	1.0
254.44214	0.4
263.23700	45.7
264.24078	2.5
346.23517	0.4
346.27802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05035	1.6
56.08881	0.5
56.96564	1.1
58.06614	0.7
60.04523	1.0
60.05644	0.9
65.37078	0.3
67.05493	0.4
70.02972	0.5
70.06596	6.4
71.06930	1.0
72.08160	9.3
73.06545	0.7
74.06085	2.6
82.06592	0.4
83.06114	0.7
84.04515	3.2
84.07667	0.7
84.08147	9.9
85.02924	0.7
86.09707	13.5
87.04486	0.5
87.05595	0.9
88.03994	0.6
89.07194	0.4
91.05469	1.1
93.07053	1.3
93.43146	0.4
96.08122	0.6
98.97578	0.7
101.07130	0.8
101.10879	0.5
102.05566	0.7
103.05450	5.3
107.04965	1.6
110.07162	3.7
110.09682	0.5
112.08704	1.0
114.09127	0.4
115.08672	1.3
120.08109	100.0
121.08463	2.7
128.10709	1.8
129.06734	0.5
129.10254	6.8
130.05006	2.3
130.08630	0.6
131.04901	3.0
133.06096	1.0
136.07661	0.5
141.10258	0.5
142.12297	0.9
143.08160	0.6
143.11824	0.6
144.10202	0.5
147.07666	2.6
149.05992	1.7
156.96861	0.4
157.13329	1.2
158.09320	0.5
159.11292	0.9
161.09268	0.5
166.08641	51.3
167.08983	1.8
172.10770	0.7
173.12805	0.7
175.11938	0.8
177.08746	0.6
185.12926	0.9
186.12437	0.4
187.10852	0.9
187.14386	0.8
197.12759	0.5
200.14003	0.7
201.12321	0.9
204.09875	0.5
215.13965	0.6
216.09766	0.8
217.08159	0.6
234.10800	1.4
238.18108	0.9
242.15030	0.6
248.12480	0.5
256.15439	2.2
256.19131	1.5
260.16095	0.6
289.10703	0.7
289.20764	0.6
313.18604	0.6
400.21832	0.7
418.16257	0.5
418.25278	5.6
419.14417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2226
Annotation	Protostemonine
Peak:m/z	Relative Intensity
52.96307	0.3
55.01863	1.0
55.05513	0.4
55.50422	0.5
56.05034	0.4
58.06597	0.4
67.05498	1.4
68.05002	0.5
69.03429	1.9
70.06592	3.8
70.09507	0.8
71.04987	0.6
73.71015	0.3
75.76590	0.3
79.05501	0.9
80.05013	1.8
81.07066	0.9
82.06584	0.5
83.01311	0.7
84.08140	1.4
89.89203	0.4
91.05482	1.2
93.07037	0.9
94.06568	1.4
95.08599	1.1
96.08118	1.4
98.23426	0.3
105.07039	1.0
107.08611	0.7
108.08127	0.6
109.06494	0.4
109.08934	0.4
110.09684	1.3
117.06956	0.4
119.08601	1.1
120.08104	1.1
121.06538	0.6
122.09679	3.4
124.11221	0.5
125.05995	0.6
132.03099	0.3
134.09677	1.2
135.08017	0.5
136.11194	2.2
137.06006	0.3
138.09166	0.7
141.05530	0.4
145.10095	0.6
148.11183	0.5
149.05960	0.5
150.09160	2.4
151.07571	0.5
152.10727	0.7
152.83434	0.4
154.12267	0.5
155.03365	0.8
161.09607	0.5
162.09062	0.4
162.12790	1.5
164.14331	1.6
165.05374	0.4
168.10188	1.7
173.09688	0.4
174.12883	0.3
175.11185	0.8
182.11752	4.3
183.06487	0.7
183.11893	0.4
184.13364	1.4
190.15984	0.8
191.10677	0.5
218.15295	0.4
234.14844	0.5
236.16437	3.9
246.14900	5.8
247.09747	1.2
248.16196	0.3
249.11253	1.2
251.69131	0.4
264.19470	0.9
276.15826	0.4
292.19138	0.5
318.17038	0.6
320.18570	9.6
324.80710	0.4
344.18579	6.2
345.18811	0.5
360.18066	1.4
418.22232	100.0
419.22620	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	418.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.05497	16.7
56.96557	5.0
57.03431	8.4
58.53613	4.1
61.02913	9.1
67.05505	44.0
69.03428	39.1
69.07059	11.6
70.06584	10.5
71.05000	8.3
72.64220	4.0
73.02911	6.1
74.82111	4.7
78.91835	4.9
79.05483	19.9
81.03416	10.5
81.06715	3.6
81.07066	37.9
83.04956	8.6
83.08616	12.8
84.08170	4.2
85.02905	100.0
87.04466	23.3
91.05466	21.0
93.07043	19.6
95.04965	8.1
95.08606	44.2
97.02894	27.8
97.52347	4.2
97.82462	4.5
99.04443	5.8
101.06010	8.4
105.07018	18.2
106.60805	4.5
107.04934	9.4
107.08585	14.2
109.02838	9.2
109.06497	6.6
109.10172	26.2
115.03951	24.6
116.98679	4.9
119.08604	26.0
121.10139	11.6
127.03913	17.4
127.80289	5.2
130.91313	4.7
131.08597	9.1
133.10167	13.3
135.08110	5.1
135.11656	8.8
137.09647	7.8
141.05470	12.3
145.04999	21.5
147.11670	6.6
149.09644	6.6
149.13274	8.4
161.09546	6.1
163.54237	4.9
165.09079	4.2
175.11195	7.0
175.14851	27.9
221.15413	5.3
229.14334	6.3
239.16370	21.7
264.90036	4.4
273.18536	10.0
315.11127	6.2
377.05844	4.5
383.24106	7.3
395.06824	14.0
413.07822	7.6
418.21762	10.3
424.31958	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	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.1
55.05511	47.2
57.03445	33.4
67.05502	76.7
69.03423	9.5
69.07069	58.0
70.06606	12.1
70.75886	7.8
70.76212	9.2
71.04981	20.8
79.05496	81.4
81.03423	31.1
81.07055	100.0
83.04993	20.2
83.08636	32.7
85.02915	8.3
85.06564	6.7
86.81419	6.1
90.05554	6.1
91.05473	49.9
92.93191	7.9
93.07043	87.6
95.04991	32.5
95.08597	45.7
97.06535	57.4
97.10185	36.5
99.08092	6.3
103.25706	5.9
103.65520	6.1
105.07017	43.8
107.04984	16.6
107.08607	38.3
109.06535	22.0
109.10145	23.3
111.08105	14.1
113.06020	8.2
115.07593	16.6
117.07021	23.9
119.08624	32.5
121.06474	9.8
121.10138	39.0
123.08058	30.0
125.09650	24.9
127.07538	8.8
129.06999	11.5
131.08575	20.7
133.10149	26.8
135.08043	13.7
135.11696	10.1
143.08531	8.1
145.10127	21.0
147.08081	15.3
147.11713	12.6
149.09615	8.0
149.13243	13.5
149.17963	6.4
157.10162	15.8
159.11719	24.7
159.82852	6.7
161.09679	12.1
163.11255	13.2
173.11809	6.7
175.11270	8.9
189.11206	17.7
189.12694	7.6
193.12279	22.2
201.86574	6.3
211.13127	8.8
211.37282	6.3
214.15849	8.1
220.23027	7.6
221.15373	15.2
227.12854	30.0
229.14587	7.5
245.13863	14.6
267.15683	7.0
269.17465	22.6
273.18582	26.8
285.16977	22.2
291.19431	39.4
297.16949	26.3
311.64523	6.6
344.25696	15.2
365.23270	32.9
383.24240	22.9
405.41464	6.7
418.22382	13.2
418.29382	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32948	4.2
53.03939	8.3
55.01865	5.6
55.05514	14.7
57.03441	23.7
67.05499	59.1
69.03449	5.5
69.07069	73.8
70.06586	10.5
71.04998	35.8
71.44927	5.0
79.05489	66.0
81.03409	13.7
81.07063	53.9
83.04987	11.4
83.08614	7.2
84.04497	5.2
91.05482	47.2
93.07042	61.9
95.04976	22.6
95.08603	37.1
97.06528	100.0
99.08113	6.4
105.07014	36.5
107.04961	18.1
107.08601	26.2
109.04951	4.7
109.06506	24.4
109.10182	9.7
113.06010	7.5
113.76986	4.3
115.07542	31.0
117.07024	18.2
119.08605	25.6
121.06533	5.0
121.10141	16.7
123.08036	5.3
125.09595	5.2
129.06999	9.9
131.08589	24.3
133.10130	18.5
135.08015	11.6
135.11697	5.4
143.08588	8.1
145.10135	18.0
147.08089	8.1
147.11687	10.3
149.09630	7.5
149.13260	16.1
157.10133	12.2
159.11647	27.1
161.09555	7.1
161.13316	5.1
165.08984	6.6
171.11848	6.2
173.13176	5.8
175.11169	5.2
177.12752	10.6
195.13763	7.0
201.12817	4.9
227.12773	6.2
233.15324	7.4
245.18997	6.1
269.17453	23.1
270.79062	4.7
273.18488	27.5
291.19528	16.7
297.16937	15.2
326.03278	5.4
365.22968	10.4
366.23355	6.1
418.22079	16.7
418.29822	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	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	25.3
55.05520	1.2
57.26923	1.2
65.03930	5.7
67.05501	4.5
69.07065	2.8
70.06582	2.6
77.03927	1.5
78.04709	1.4
79.05478	6.9
81.07066	3.1
82.04202	2.9
85.02909	4.4
89.20934	1.3
91.05483	4.3
91.08743	1.2
93.07035	2.1
95.04957	6.0
95.08614	2.8
97.06534	4.2
100.92105	1.5
103.05463	21.4
104.81881	1.2
105.04519	1.7
105.07035	10.4
107.04941	8.8
107.08601	3.1
108.02107	2.3
109.10130	1.3
110.03654	3.7
111.04409	3.0
115.05442	4.6
116.06236	1.3
117.03358	1.2
117.07010	2.5
118.04176	7.4
119.04937	1.7
119.08610	2.6
121.06498	3.6
123.04425	4.7
124.05186	1.6
125.06003	1.9
129.06982	3.5
130.04124	1.8
131.04933	20.0
131.08569	2.3
133.02899	2.7
133.06479	10.0
133.10109	2.4
135.08080	1.9
135.11708	2.5
137.05997	2.9
138.03117	1.7
140.04718	1.9
144.05698	3.0
145.06499	2.4
146.03622	1.5
147.04353	1.5
148.05188	12.6
149.05977	9.3
153.05472	4.1
155.05984	1.2
157.06477	1.7
159.08055	6.7
160.05098	1.3
161.05945	7.8
163.07542	22.7
165.05635	1.2
165.09160	1.4
167.07048	33.2
168.04155	1.4
170.11835	2.5
171.06577	7.4
171.07903	1.1
173.05978	3.8
176.04733	3.4
177.05460	19.8
177.06958	1.8
178.05896	1.2
181.04956	71.9
182.05341	2.2
183.06490	6.6
187.07480	6.1
190.06175	1.4
191.07034	100.0
192.07451	2.1
193.08636	4.2
204.07790	1.4
205.06793	1.3
205.08586	6.6
209.08081	34.8
210.08418	1.8
211.07515	1.7
217.08585	2.0
218.07315	1.8
218.09340	1.9
219.07990	3.6
219.10222	4.6
221.06201	1.3
221.08022	2.4
231.08159	1.8
231.10229	2.8
235.07394	1.8
235.09601	1.5
247.07455	2.3
247.09691	4.2
248.08275	1.6
249.08997	1.4
249.11259	17.4
263.07077	2.9
263.10571	1.7
264.07846	1.8
265.08350	2.4
265.10864	2.1
267.10254	1.5
276.07675	1.7
279.10114	1.4
291.10037	1.7
293.08066	1.5
299.08926	1.5
307.09726	3.5
308.10513	2.1
315.08444	2.1
359.14899	2.0
369.13306	4.5
383.14877	2.0
389.15848	1.4
401.15970	11.2
419.16864	6.6
419.21786	5.1
420.17059	1.4
420.27219	2.8
439.16693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91987	1.1
57.03178	1.6
57.03438	20.7
59.04981	2.0
60.43744	1.1
61.02928	5.6
65.03959	1.6
69.03062	2.2
69.03428	32.9
70.06586	4.1
71.01329	1.2
73.02915	30.7
75.39665	1.2
79.05488	1.6
80.66010	1.1
81.03425	2.7
81.07041	2.5
85.02904	37.6
86.09737	1.6
87.04465	18.0
91.05477	100.0
92.05790	2.0
93.07030	1.4
93.52660	1.1
95.04940	1.2
95.08610	1.1
97.02888	51.8
98.03245	1.1
99.04470	2.1
105.07034	4.6
107.04902	2.3
109.02874	2.7
115.03924	43.1
117.07012	2.1
120.08057	1.9
127.03899	9.4
129.06995	1.4
133.03947	1.6
133.04964	33.1
133.06465	2.8
145.04948	11.0
145.06387	1.4
149.09633	1.3
150.07568	6.0
161.04454	2.1
162.07689	1.3
163.06039	3.1
163.11205	1.4
172.08778	1.2
190.06932	1.0
193.04877	1.3
205.12190	2.5
217.08607	3.3
222.18565	2.7
223.06041	2.1
223.09636	4.4
223.13264	4.1
235.09592	2.0
240.19576	5.1
241.07129	3.3
253.10742	4.6
258.20657	10.8
259.08115	3.2
295.10242	3.8
308.47546	1.2
319.84274	1.5
420.25928	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01859	2.8
57.03450	2.1
59.05000	1.4
61.02913	4.1
67.05502	2.8
69.03432	8.1
69.07065	2.6
69.65740	1.2
70.03731	4.2
70.92664	1.2
75.51411	1.5
79.05492	3.4
81.03424	4.5
81.07053	4.2
83.04977	7.5
85.02904	26.8
86.09707	3.6
87.04459	2.8
88.86664	1.2
90.32844	1.3
91.03940	3.0
91.05477	5.4
91.92424	1.4
93.03394	1.6
93.07047	18.7
95.04955	4.1
95.08591	3.6
97.02887	6.4
97.06512	1.5
99.04407	2.3
101.06030	1.9
103.05437	1.6
105.07039	12.3
107.04957	3.7
107.08582	9.3
109.02871	2.1
109.06525	3.1
109.10205	1.8
112.68149	1.5
117.07016	3.8
119.08578	10.6
120.82970	1.3
121.06502	24.3
121.10145	19.1
123.08077	3.0
127.03921	5.7
127.07536	2.2
129.06940	1.8
131.04933	1.5
131.08574	6.1
133.06532	1.3
133.10152	12.3
135.08055	5.5
135.11673	3.1
137.05952	1.6
137.09648	8.1
139.07527	4.5
144.09377	2.6
145.04947	3.7
145.10141	7.4
147.08070	3.3
147.11681	4.2
149.05983	14.6
149.09616	4.1
149.13277	3.2
157.10153	5.5
159.08018	2.6
159.11697	24.7
161.09645	2.5
161.13260	3.7
163.11195	9.1
165.09047	2.1
169.10126	2.0
172.08792	3.9
175.11169	11.3
177.12738	59.9
178.13127	2.7
187.11177	18.5
193.12273	15.2
205.12236	65.8
206.12608	3.1
211.13319	6.3
223.08681	2.7
223.13286	92.9
224.13634	5.3
241.14339	100.0
242.14720	4.8
251.08150	6.7
259.15411	33.3
273.12653	2.6
279.07562	7.0
281.09662	1.4
297.08731	4.4
307.07153	8.8
325.08185	13.3
327.09717	3.8
338.96777	4.4
343.09186	9.0
353.07596	3.9
371.08704	4.5
403.11749	1.9
403.19574	4.9
410.72791	1.4
420.22159	3.8
420.27173	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	1.1
55.05512	4.0
56.05060	1.2
57.03432	1.4
57.07061	1.5
58.06601	2.8
61.02922	1.9
67.05507	5.1
67.06231	0.9
68.55356	1.0
69.03437	8.6
69.07075	2.8
69.20709	4.9
70.06596	14.2
71.05012	1.9
71.83182	0.8
72.08152	1.8
73.02925	1.9
75.27738	0.8
79.05494	2.9
81.03427	3.0
81.07056	10.4
82.06589	1.2
82.26270	0.9
83.04988	10.3
83.08630	4.7
84.04482	1.1
84.08147	1.7
85.02910	14.2
86.09717	3.9
87.04469	1.5
91.04002	0.8
91.05488	4.9
93.07048	10.3
94.07352	0.9
95.04971	10.9
95.08607	8.0
96.08153	1.7
97.02900	5.5
97.06541	3.0
98.09702	1.4
98.22732	1.8
99.04449	1.1
105.07038	7.3
107.04972	1.2
107.08586	5.2
109.02910	1.0
109.06519	9.2
109.10169	2.4
111.08099	2.5
117.07022	2.0
119.08593	3.3
120.08148	0.9
120.14256	0.8
121.06527	10.0
121.10158	4.6
123.08080	6.9
123.11731	1.0
125.05951	1.1
127.03905	2.3
131.08574	1.6
133.10138	3.0
135.08064	5.4
135.11690	1.8
137.05962	1.0
139.07552	16.1
140.10704	1.0
145.05019	2.3
145.10156	2.4
147.08096	2.1
147.11722	3.7
149.05992	1.4
149.09641	5.9
149.13315	1.5
151.11194	2.4
157.08653	3.2
157.10078	1.5
159.11726	5.4
163.07474	1.1
163.11200	3.9
165.09164	1.3
167.07077	1.4
172.20996	0.9
175.11172	17.7
177.08960	1.1
177.12775	3.9
179.10762	0.8
185.08156	1.2
187.11237	3.1
193.12247	51.7
194.12579	1.7
195.13876	1.4
205.08641	1.5
205.12233	10.8
222.18535	18.5
223.13292	44.2
227.72406	0.8
240.19597	49.0
241.14368	20.1
241.19806	2.2
242.14711	1.2
258.20663	100.0
259.15411	11.9
259.20978	2.1
354.66040	1.7
384.23938	2.1
402.24744	1.2
403.19476	1.9
417.58517	1.0
420.25934	66.9
421.25848	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	420.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99927	1.2
53.03952	1.4
55.01873	2.8
55.05511	4.2
57.03426	2.3
61.02933	3.2
62.10860	1.2
67.05515	3.4
69.03437	6.8
69.07076	4.4
69.43903	6.0
70.06590	3.5
71.05002	1.9
72.08152	6.9
74.10107	1.4
74.58479	1.3
79.05498	4.7
81.03442	2.6
81.07069	6.5
83.04988	9.1
85.02901	26.7
86.09709	1.8
91.05462	11.9
92.90007	1.4
93.07053	16.6
95.04976	7.6
95.08627	5.1
97.02901	6.5
97.06556	2.1
98.22698	2.5
99.04446	3.0
99.21432	1.5
101.06009	1.7
105.07039	13.5
106.07351	1.4
106.16879	1.3
107.04940	2.3
107.08596	12.2
109.02901	2.1
109.06533	5.0
109.10178	2.7
111.04459	2.6
111.08108	3.3
117.07013	4.6
119.08591	35.0
120.08125	3.0
121.06518	24.7
121.10160	16.4
123.04399	1.7
123.08064	4.5
123.11647	1.3
125.09578	1.5
127.03958	4.4
131.08588	5.1
133.10136	16.1
135.08052	10.6
135.11717	5.1
137.09601	11.6
139.07585	2.3
145.04968	3.9
145.10085	8.5
147.08067	5.0
147.09189	2.9
147.11687	10.1
149.05992	8.6
149.09621	100.0
149.13292	4.6
150.09966	3.4
153.05585	1.6
157.10115	4.6
159.08115	1.8
159.11690	14.7
160.08842	1.4
161.09627	3.1
163.07556	3.8
163.11168	11.6
165.12679	3.3
167.07047	2.6
172.08873	2.7
175.11192	20.9
177.09120	53.9
177.12727	24.6
179.10614	1.6
181.12386	2.1
185.46727	1.6
187.11223	13.4
193.12210	7.9
195.13806	2.9
205.12248	87.7
206.12605	3.2
211.13234	1.8
223.13292	80.9
224.13745	2.7
227.16449	4.1
241.14351	71.2
242.14706	3.0
258.20544	2.1
349.06305	1.4
421.08948	2.6
443.86658	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.1
53.03937	1.9
55.01868	6.5
55.05508	8.2
55.27165	1.7
56.05033	2.3
57.03407	2.6
57.07093	1.6
61.02937	4.5
67.05499	5.6
67.42530	1.6
69.03431	12.3
69.07067	5.4
69.36935	1.9
69.48435	3.6
69.48814	3.5
70.06589	21.5
71.04990	4.4
71.06897	2.0
72.08147	6.8
79.05488	4.6
81.03415	5.5
81.07051	7.7
82.57004	2.2
83.04980	31.1
83.08624	4.9
84.08126	4.0
85.02909	32.6
85.06513	3.6
86.09697	6.2
91.05486	15.8
93.07043	60.0
94.07410	2.3
95.04986	9.7
95.08613	21.7
97.02892	9.9
97.06542	6.9
98.09677	2.1
99.04412	3.4
100.52151	1.9
103.05524	1.6
105.07034	50.0
107.04961	2.1
107.08595	17.4
109.02905	2.1
109.06537	5.6
111.08087	14.9
113.05982	6.7
117.07008	4.7
119.08569	7.5
120.08124	6.2
121.02865	5.1
121.06519	21.1
121.10141	6.1
122.73697	2.0
123.04378	2.1
123.08035	2.5
127.03899	9.2
127.08671	3.9
129.06989	2.7
130.07745	1.8
131.08582	5.7
133.10143	5.6
135.08029	6.5
135.11685	6.4
137.09584	2.5
139.07538	6.2
145.04964	5.1
145.10146	3.9
147.11687	45.0
149.05962	2.4
149.09634	4.5
149.13246	5.1
153.09091	4.6
155.08199	4.6
157.10164	2.4
159.11710	30.4
161.09596	3.8
161.13200	2.0
163.11224	4.8
167.07025	5.1
169.13347	2.7
169.75308	1.8
175.11171	12.4
177.12772	32.6
179.10594	2.4
183.98921	2.4
187.11169	6.3
193.12306	4.3
195.13818	8.2
205.12221	45.4
205.14073	3.3
222.15694	2.1
223.13286	100.0
224.13713	5.0
229.04936	2.3
240.19545	3.0
241.14345	7.5
246.12981	2.4
257.27866	2.1
258.20721	5.5
307.05899	9.1
308.06601	2.9
309.07721	2.1
322.08322	2.4
325.07190	5.8
337.06937	3.6
347.09152	3.5
365.10138	5.2
375.08438	6.0
385.07190	2.0
403.08087	16.4
420.11588	4.4
420.19989	27.4
420.25079	6.2
421.09180	35.0
421.24783	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	420.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05487	1.3
56.05025	0.5
57.03399	1.1
57.14025	0.5
58.06609	2.2
60.41689	0.4
61.02901	0.8
62.40666	0.4
67.05486	2.3
69.03424	3.4
69.07034	1.3
69.35985	2.3
70.06589	10.2
71.04984	0.7
72.08131	0.5
73.02905	0.7
79.05468	1.1
81.03371	1.3
81.05979	0.4
81.07056	5.5
83.08588	0.8
84.04463	0.8
85.02900	4.8
86.09677	0.6
87.04456	0.8
91.03913	0.6
91.05456	0.5
93.07010	1.2
95.08591	5.1
96.08090	0.6
97.02893	2.6
98.09681	1.1
98.22681	0.7
98.97552	0.9
99.04382	0.5
104.99242	1.3
107.08566	0.7
109.02791	0.6
109.10102	1.3
110.09665	0.7
119.08548	0.7
121.10127	0.8
123.07986	0.5
123.11667	0.6
127.03895	1.3
139.58035	0.4
145.10118	0.5
149.09650	0.4
193.17224	0.5
194.19017	0.4
222.18506	18.4
223.18871	1.0
240.19566	54.1
241.20007	2.3
258.20633	100.0
259.21002	4.2
274.97629	0.7
278.36993	0.4
282.20529	0.4
292.98544	0.5
300.21512	0.4
338.96741	1.8
351.97357	0.5
376.14490	0.4
384.23843	1.9
402.25003	3.4
408.32214	0.4
420.25903	66.7
421.26199	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	420.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05515	2.1
55.96663	0.5
56.05029	0.6
57.03422	0.9
58.06603	3.7
67.05502	2.6
69.03428	2.3
69.07061	1.5
69.27519	3.0
70.06590	11.9
79.05499	1.5
81.07059	6.1
82.06606	1.3
84.04527	0.7
84.08154	0.6
85.02902	1.6
88.19664	0.5
91.05491	0.8
93.07030	2.0
95.08598	4.5
96.08131	1.9
97.08938	1.3
98.09695	1.0
98.23493	1.0
98.97582	0.7
104.99265	3.6
107.08567	1.1
109.06486	0.5
109.10140	0.8
110.09686	2.2
119.08582	1.1
121.10160	1.4
127.03873	0.9
133.10182	0.5
137.09671	0.6
140.10779	0.8
157.77422	0.6
159.11743	1.1
195.20052	0.7
205.12184	1.7
209.20006	0.6
222.18521	34.0
223.13103	0.7
223.18819	1.1
240.19577	23.4
241.19917	1.3
258.20624	6.8
262.98093	1.2
272.92795	0.7
274.97522	1.7
282.20621	8.8
292.98511	0.9
300.21835	1.7
306.20761	0.6
338.96707	5.0
353.98508	0.6
366.22739	1.9
384.23816	15.4
385.24091	1.3
402.24869	17.0
403.25098	1.1
420.25903	100.0
421.26343	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	420.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.0
55.05508	15.8
57.03437	6.8
67.05506	64.7
69.03416	6.4
69.07067	18.7
69.14465	26.7
70.06617	4.4
74.21602	4.4
79.05488	30.7
79.71553	4.5
81.03413	20.6
81.07058	79.4
83.04987	11.6
83.08614	15.6
87.04513	5.8
91.05465	27.3
93.07055	39.8
95.04969	7.3
95.08614	34.0
97.06502	11.5
97.10184	9.3
99.08104	7.9
104.99313	5.8
105.07040	17.7
107.04977	13.7
107.08594	27.8
109.06474	6.9
109.10155	21.6
111.08099	7.1
117.07007	12.1
119.08574	13.3
121.10145	19.0
123.04491	4.6
125.09621	4.8
131.08568	15.0
133.10146	15.1
135.11693	12.2
145.10132	8.8
147.11739	8.2
149.09540	8.4
149.13264	20.7
159.11688	24.5
163.11223	6.2
173.11760	6.9
173.13417	5.0
177.12762	18.7
187.11208	9.4
195.13800	8.8
212.61041	4.6
223.13326	28.9
229.14343	32.1
241.14336	47.7
247.61710	5.1
253.32306	4.9
257.19012	6.5
269.17459	100.0
275.20099	33.7
293.21310	5.4
338.96692	10.9
349.23730	33.1
360.25186	13.9
367.24786	32.2
420.27390	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	420.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	15.4
57.03434	5.4
60.99278	2.6
65.03943	3.4
67.05505	52.5
69.07057	12.0
70.06593	4.1
71.04987	3.8
71.35610	3.1
79.05502	13.4
81.07060	23.6
83.04988	5.2
83.08604	10.9
85.06531	2.9
86.09699	6.1
91.05476	15.4
93.07058	18.8
95.04916	2.6
95.08601	13.5
97.06525	3.0
97.10162	7.8
104.99271	3.0
105.07028	12.6
107.04959	4.6
107.08579	17.6
109.06521	4.3
109.10155	47.5
111.08078	4.6
117.07049	3.2
119.08578	10.2
121.00821	2.5
121.10141	4.5
124.01892	2.4
125.09593	4.2
131.08507	6.2
133.10129	9.5
135.11671	4.1
145.10101	8.1
147.11673	3.2
149.09631	5.2
149.13228	4.2
153.05409	3.0
155.10699	10.7
159.11621	8.5
163.11160	3.5
173.11728	23.0
177.12721	6.9
195.13675	4.0
227.12730	8.2
229.14352	100.0
257.18900	4.2
269.17450	24.1
275.19995	18.0
309.20654	3.5
349.23834	16.8
360.25293	9.5
367.24814	8.0
420.27374	9.6
421.27457	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	421.1243
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
55.01851	1.5
69.03418	1.4
69.10428	1.0
69.45301	2.1
69.45689	1.7
74.38976	0.9
78.31812	0.8
79.05491	0.9
81.03434	1.3
85.02903	4.9
91.05513	1.5
93.07038	2.1
95.73093	0.8
104.99284	2.9
105.07004	1.1
107.08578	1.1
116.98650	1.0
119.08543	1.2
121.06517	2.3
121.10170	1.5
122.06818	1.9
122.10513	1.2
133.10150	1.2
145.10120	1.1
159.11697	1.7
160.12094	2.1
175.11290	1.5
177.12720	4.1
178.13071	5.1
188.11546	1.2
193.12224	1.1
194.12506	2.2
195.09181	2.0
196.07581	2.7
197.07088	1.3
205.07567	2.0
205.12271	4.3
206.12621	5.2
208.06168	1.2
209.07101	2.1
211.08522	1.1
213.06583	3.5
223.08632	14.2
223.13234	7.5
224.07033	3.2
224.13591	9.0
225.10205	1.8
227.08232	2.3
233.07068	2.3
235.08789	2.1
237.06619	3.6
237.71021	1.1
239.08205	2.9
241.09846	1.8
241.14394	5.8
242.14705	9.8
243.11218	1.5
251.08156	43.4
252.08675	2.0
253.06212	2.0
253.09743	2.8
254.08055	1.8
255.07620	3.9
257.09247	3.0
259.07010	1.2
259.15472	2.7
260.15747	3.9
263.08185	1.7
265.05972	5.4
267.07593	3.1
269.09171	8.6
274.97595	1.7
279.07632	44.7
280.07983	3.0
281.09119	5.9
283.07144	4.1
287.05988	1.7
287.10129	1.0
291.07553	1.6
292.98737	1.0
293.05667	1.5
295.07123	8.6
297.08682	33.3
298.09036	1.3
299.07321	1.0
299.10291	3.5
307.07108	49.2
308.07516	2.8
309.08719	7.7
311.06714	1.7
313.08142	1.6
315.09802	3.1
325.08179	100.0
326.08469	5.2
327.09766	22.3
329.07623	1.8
329.11533	1.3
333.10779	1.2
335.06680	7.4
338.96716	3.9
343.09253	61.2
344.09549	2.8
353.07629	23.7
357.10913	2.3
361.10452	5.7
371.08725	37.0
372.09021	3.0
375.11963	4.0
385.10321	3.0
389.09821	5.1
403.11429	12.3
404.20068	1.2
420.27026	1.6
421.12061	5.6
421.27277	2.5
421.32611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31651	0.4
52.90739	0.4
53.03951	0.6
53.81305	0.4
53.95901	0.4
55.05514	9.1
55.85980	0.4
56.05035	5.5
57.05821	0.5
57.07076	0.7
60.04509	0.6
60.54104	0.4
61.01148	6.7
67.05523	0.5
68.05030	8.0
69.07120	0.5
70.06590	2.0
70.35502	0.9
72.08157	100.0
72.66666	0.5
73.08498	1.2
74.06070	1.0
81.03423	1.0
83.05005	0.6
84.08150	1.2
85.02918	0.5
85.07668	0.6
86.09722	0.6
91.05470	0.9
93.07048	0.5
94.77197	0.4
95.04982	1.5
96.04518	2.7
104.05321	2.9
104.99245	0.5
105.07029	0.9
107.08601	1.0
113.07133	63.4
114.07445	0.9
119.08560	0.7
124.84106	0.5
130.08656	0.6
131.08540	1.2
132.10210	0.7
133.10112	0.7
134.04495	1.2
141.06552	0.9
145.10162	0.5
147.11693	1.5
158.10007	1.6
158.38808	0.4
159.11673	0.5
161.07439	16.8
165.12619	0.4
189.06931	29.7
189.12712	1.2
190.07169	0.5
203.10367	0.7
203.12082	1.2
207.13870	2.4
225.14857	1.6
231.11583	0.9
233.11324	34.4
234.11650	1.0
243.11633	5.2
243.15579	0.5
268.47577	0.5
288.13751	8.1
338.97119	0.5
386.13834	0.5
421.16608	5.5
421.22955	0.7
421.24362	0.9
446.57535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
56.05048	1.1
57.03429	0.7
60.04523	10.7
60.05655	2.2
66.29664	0.6
67.05528	0.7
68.05032	1.6
69.07050	0.7
70.06594	67.0
70.59068	1.2
71.04993	7.8
72.08156	8.8
84.04543	0.7
84.08154	2.2
85.02916	1.0
86.09715	2.6
91.05485	1.0
93.07043	1.3
95.05479	1.0
95.06094	21.0
96.08195	1.0
97.06550	1.2
97.07664	3.9
98.06076	1.3
99.04429	0.7
103.05487	2.3
104.05310	0.7
105.07047	1.0
107.08603	1.6
108.08911	0.8
110.07159	0.7
111.09252	0.7
112.07584	4.4
112.08729	21.2
113.07145	2.8
114.10283	3.0
115.08692	24.5
116.07087	1.3
120.08105	98.1
121.08456	2.6
121.10135	1.1
127.08670	0.9
129.10254	0.7
130.06514	0.7
130.08801	0.7
130.09740	3.6
136.07594	0.7
136.08696	0.7
138.10193	1.4
139.08629	3.7
140.07118	1.4
140.08179	3.2
149.09703	1.0
154.09753	1.8
157.09726	8.5
157.10858	1.1
160.12088	1.2
177.12613	0.7
182.09338	3.9
196.14331	0.6
199.11925	16.1
203.10138	1.4
206.12598	1.5
207.13818	0.9
211.15497	2.6
217.11687	2.0
217.13246	0.8
223.10796	15.7
223.12993	1.1
224.13606	1.3
242.14888	0.7
243.15927	2.1
257.16135	1.3
258.20560	1.6
259.15479	1.9
259.20911	2.7
274.18900	1.0
298.98605	0.7
301.16531	0.9
318.19098	1.2
322.19162	0.6
329.15924	2.1
362.17575	1.4
404.23065	0.8
421.21683	100.0
421.68900	5.4
422.22241	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70127	0.6
55.05502	2.0
56.05031	0.9
60.04531	4.9
60.05648	8.7
68.04996	0.6
69.03437	0.9
69.07053	1.1
69.42749	2.0
70.06592	100.0
71.05000	8.8
71.06937	1.4
72.08155	14.4
80.05817	0.6
81.07084	0.6
83.05007	0.8
84.04523	1.1
84.08154	2.7
85.02918	2.0
85.07681	1.2
86.09708	4.5
88.07656	2.3
91.05495	1.2
91.77681	0.7
93.07071	1.6
95.04967	0.8
95.06085	7.3
96.08163	0.9
97.07648	3.1
98.06060	3.9
98.97626	0.6
99.42535	0.6
103.05479	1.5
104.05344	1.5
105.07031	1.1
107.08631	1.2
109.06567	0.7
110.09711	0.7
112.07583	1.8
112.08728	24.9
113.07143	1.2
114.10314	1.9
115.08686	12.0
116.07132	0.7
119.08636	1.0
120.08104	35.9
120.82227	0.6
121.06506	1.5
121.08496	1.4
121.10236	0.8
123.08122	0.6
124.11266	2.0
127.08715	1.2
128.07077	0.6
129.10277	0.9
130.08708	1.0
130.09822	0.9
135.08101	0.7
137.05966	0.9
138.06509	0.6
139.08719	1.6
140.08144	5.8
146.06053	0.7
149.09703	0.7
151.12338	1.1
152.10719	1.4
154.09810	1.0
157.09784	2.1
157.10951	5.7
158.09271	0.8
159.11758	1.3
166.08679	1.4
168.15039	2.0
169.13356	6.7
175.11937	3.5
182.09343	1.1
194.13045	1.3
196.14644	2.4
197.12886	1.2
199.11888	6.5
205.12387	0.7
206.12766	0.8
207.13986	1.1
211.15535	16.4
214.15628	0.6
215.13997	0.9
223.10854	5.4
223.12981	0.9
224.13815	1.6
225.14977	1.1
228.18146	4.7
239.15251	1.2
240.19763	0.8
241.20044	1.1
242.14981	0.8
243.16084	0.8
256.17624	4.8
257.16040	4.4
258.20953	1.0
259.15860	0.9
259.21283	2.6
274.18756	7.4
346.19153	0.7
362.21259	0.7
364.20120	0.6
404.22925	5.2
421.26254	75.8
422.08810	1.1
422.17413	1.0
422.26633	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	421.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20352	1.3
55.05499	2.6
57.03430	2.8
57.07087	7.6
67.05479	4.5
69.07052	3.8
70.52065	1.9
79.05489	3.1
81.07045	5.6
85.06541	4.6
91.05474	3.1
93.07043	3.2
95.04903	1.5
95.08605	4.9
97.06516	2.3
98.97576	3.9
104.99267	9.4
105.07000	2.2
107.08581	3.9
109.06499	4.7
109.10114	1.4
116.98588	3.0
120.37552	1.6
121.10134	1.8
133.10114	1.8
135.08018	5.3
135.11649	1.5
137.05940	4.1
151.07523	1.7
165.12744	2.2
177.12793	1.7
198.98924	1.5
207.13620	2.0
239.30431	1.8
262.98105	4.4
263.20032	1.9
274.97430	5.3
292.98465	4.1
319.25989	2.4
337.16251	3.0
338.96738	15.7
347.25851	22.5
356.97708	3.5
365.26788	5.3
393.29877	2.7
421.25409	100.0
422.25702	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	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05510	8.0
57.03439	10.2
57.07078	36.4
58.31071	0.8
59.09465	0.9
59.20156	0.9
67.05505	10.6
69.07065	11.1
69.96421	2.8
71.04989	2.4
75.44483	0.9
79.05489	9.6
79.89536	0.9
81.06621	1.9
81.07058	23.2
83.04990	3.6
83.08626	3.9
85.06544	16.5
87.04384	1.0
87.51965	0.9
91.05485	8.2
93.07043	12.9
93.48639	1.0
95.04972	2.6
95.08601	14.1
95.81555	1.0
97.06530	4.7
98.97572	2.4
100.47761	1.0
104.99271	8.9
105.07048	8.4
107.08595	15.6
109.06512	16.3
109.10144	7.6
111.04457	2.5
111.08111	3.5
117.07053	1.1
119.08562	8.2
121.06538	1.8
121.10131	8.0
123.08070	10.4
123.11722	2.8
125.06010	3.8
125.09662	1.1
131.08591	3.2
133.10155	5.3
133.55707	1.0
135.08047	23.1
135.11705	5.2
136.08771	1.1
137.05963	24.2
137.09685	2.1
137.13268	1.7
138.06711	1.1
139.07600	3.1
143.08559	1.4
145.10112	3.0
147.11670	5.1
149.09630	3.6
149.13312	2.9
151.07512	6.1
151.11140	3.2
153.12762	2.3
156.19785	1.1
157.10086	1.6
159.11732	4.2
161.09595	2.2
161.13251	3.5
163.11205	1.7
163.14885	1.9
165.09131	1.6
165.12762	7.8
171.11740	1.4
173.13358	1.4
175.11160	2.3
175.14876	2.2
177.12726	7.9
179.14322	3.8
181.12328	1.3
189.12781	1.1
189.16275	1.2
191.14304	2.4
193.12325	2.1
195.13940	1.1
205.15891	1.3
207.13794	7.6
221.19135	1.1
231.17451	1.5
233.19095	3.6
245.31308	1.2
262.98141	3.1
263.20071	6.1
274.97528	3.3
277.17990	2.2
291.19672	1.3
301.25217	2.2
305.24799	1.3
319.22684	1.7
319.26270	12.7
329.24826	4.6
337.27362	4.1
338.96832	12.0
339.19208	3.4
347.25803	100.0
348.26254	4.0
356.97961	3.1
365.26846	20.3
366.26996	1.3
379.99643	1.5
393.29932	12.2
403.28601	3.1
408.82642	1.3
421.29550	89.8
422.29675	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01860	6.8
55.05511	16.9
57.03435	14.0
57.07081	11.7
62.68354	1.4
67.05502	29.0
69.03431	3.1
69.07071	35.0
71.04984	6.0
71.08621	3.6
79.05487	17.9
81.07052	37.1
82.13743	1.7
83.04977	4.0
83.08630	9.2
85.06541	7.9
91.05476	12.2
93.06519	2.6
93.07047	29.4
95.04972	4.2
95.08605	30.1
97.06532	14.1
97.10175	1.9
98.97607	2.0
104.99265	6.6
105.07001	10.0
107.07930	2.4
107.08598	32.6
109.06508	20.5
109.10163	12.0
111.04442	5.8
111.08076	6.1
111.11723	1.5
117.07053	2.8
119.08560	10.1
119.26152	1.7
121.06489	3.8
121.10139	12.9
123.08076	16.3
123.11719	3.3
125.05984	8.9
127.11172	2.0
131.08574	3.5
133.10156	9.2
135.08047	51.1
135.11696	15.8
137.05998	21.1
137.13229	2.6
141.11218	1.6
143.08542	2.4
145.10112	7.8
147.11707	7.5
149.09576	8.2
149.13274	4.5
151.07523	9.6
151.11258	2.6
153.12738	6.8
157.10181	3.3
159.11707	3.8
161.09590	9.0
161.13359	3.7
163.11177	4.1
165.12752	6.6
167.14211	2.3
175.11119	2.1
177.12753	19.7
179.14307	5.9
181.12190	8.4
187.14841	2.2
191.14337	3.0
193.12256	3.0
200.26389	2.0
217.14342	2.1
221.19017	6.0
235.20528	5.0
242.87225	1.5
262.98187	2.3
263.20047	3.3
263.64746	1.8
287.23749	2.4
303.26984	2.2
305.24722	94.2
306.25125	3.7
319.26328	29.6
329.24643	10.6
335.97318	1.5
337.27078	1.9
338.96759	7.0
347.25800	100.0
348.26141	5.9
363.19324	5.8
365.26950	10.7
393.30081	8.3
403.28543	5.7
421.23846	16.8
421.29480	96.3
421.34094	2.5
422.29749	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	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05501	3.1
57.03448	1.9
62.09808	1.7
66.92993	1.6
67.05496	6.6
69.03432	4.2
79.05502	11.0
81.07050	10.8
83.04983	3.4
85.02915	9.1
91.05486	5.5
92.19204	1.6
93.07028	2.8
95.04962	5.9
95.08588	3.7
97.02921	2.1
97.06552	3.7
98.23421	5.0
99.04470	7.5
105.07032	4.8
107.04964	18.9
107.08598	2.8
109.06525	3.4
109.10143	25.6
111.04452	2.1
119.08610	9.0
125.05966	3.5
128.06209	3.2
129.06960	2.0
131.08536	2.4
133.10121	11.5
137.09613	45.6
143.08569	9.1
145.10124	2.0
147.08046	18.6
161.09616	92.5
162.09966	3.0
163.11151	4.1
165.09116	90.3
166.09447	2.0
171.08003	2.6
179.10681	6.1
189.09102	14.1
197.11743	3.4
207.10164	100.0
208.10478	3.3
211.06848	13.1
225.11197	58.8
243.12210	3.0
324.15408	8.8
357.98685	2.2
423.22015	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	422.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.7
65.63647	0.2
65.84448	0.2
69.07057	0.2
70.16632	0.4
70.17015	0.4
74.06081	9.0
79.23511	0.2
85.07684	0.2
86.09707	100.0
87.10012	1.0
98.06050	1.0
98.22692	0.2
99.05589	0.4
103.05486	0.6
107.04971	0.2
112.11288	0.2
116.07104	1.1
118.30620	0.2
120.08105	12.9
121.08427	0.3
123.15265	0.2
126.05515	6.3
126.06458	0.3
131.04913	0.2
139.12302	0.5
141.13860	0.3
144.06578	0.8
166.08650	5.8
166.10043	0.4
167.11798	0.2
187.14412	0.3
195.11282	2.8
211.14395	1.3
233.16573	0.3
239.13904	11.3
240.14133	0.2
257.15054	0.8
279.17032	8.6
280.17416	0.4
360.19131	1.3
404.21909	0.3
422.25290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
53.39338	2.0
55.05510	2.0
57.03435	2.3
57.12169	1.7
67.05501	3.4
69.03430	6.7
69.07056	2.3
69.70931	4.7
69.71323	3.4
70.06594	5.7
71.04991	3.0
72.08153	5.9
79.05505	5.2
81.03436	10.4
81.07055	7.6
83.04993	4.1
84.04533	2.9
84.08143	14.5
85.02904	12.7
85.06570	1.8
86.09718	3.5
87.04483	2.3
91.05466	9.0
93.07056	8.4
95.04971	100.0
95.08611	8.7
96.05307	2.4
97.02892	5.2
99.04473	3.0
102.05573	1.9
105.07024	20.4
107.08572	9.4
109.06521	7.0
109.10165	4.2
112.08699	2.1
115.03931	10.1
117.07005	5.9
119.08614	9.1
120.08134	7.5
121.10164	8.5
123.08055	2.7
127.03920	3.3
129.10266	6.8
131.08589	4.7
133.06467	2.6
133.10135	15.1
135.08089	3.4
135.11662	2.4
135.98608	1.7
137.09660	4.0
145.04945	3.9
145.10109	4.2
147.08011	1.8
147.11716	10.5
149.09631	7.4
151.07585	7.0
153.09119	2.5
156.09357	2.2
159.11710	9.2
161.13271	6.8
165.12790	9.3
169.08598	29.1
171.11668	8.5
177.12698	13.2
189.12747	13.0
194.88577	1.9
207.13820	31.5
209.15436	8.3
225.14844	49.8
226.11765	2.4
243.15915	5.9
243.42343	1.9
250.67940	1.6
346.15698	1.8
422.24017	6.9
423.21790	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04026	2.6
55.01882	5.1
55.05512	4.9
57.03436	3.6
61.02905	3.7
64.07042	2.4
67.05504	12.3
67.05826	2.4
69.03428	10.2
69.07070	7.4
69.98596	2.8
69.98923	6.0
70.06609	9.4
71.05007	4.4
72.08170	9.1
76.38316	2.8
79.05501	7.8
81.03439	6.1
81.07078	13.7
83.04987	7.8
83.08657	3.4
84.08148	10.6
85.02917	32.1
85.06551	16.9
86.09711	23.0
87.04477	4.6
91.05489	13.6
93.07050	17.7
95.04976	23.9
95.08605	11.8
96.08136	2.7
97.02897	7.2
97.06554	4.6
98.09668	5.6
105.07039	23.5
107.04990	5.4
107.08603	27.4
109.02880	3.7
109.06527	6.7
109.10182	18.2
110.09692	4.9
111.04458	4.5
111.08103	8.3
113.05932	3.0
115.03938	6.5
117.06982	3.2
119.08588	25.7
120.08129	30.9
121.06491	6.0
121.10151	30.4
123.04468	4.7
123.08077	27.7
123.11696	14.5
125.09622	5.3
127.03858	4.2
128.06158	2.8
129.10281	7.1
131.08588	11.7
133.06474	3.2
133.10106	15.0
135.11655	5.0
137.06003	6.6
137.09644	13.1
143.06995	5.4
143.08528	4.3
145.05005	2.9
145.10138	9.3
147.07997	6.0
147.11711	27.1
149.09639	22.3
149.13313	2.8
151.07552	3.1
151.11226	4.1
153.12737	3.5
156.09337	4.7
159.11734	8.1
161.09636	18.7
161.13278	28.8
162.07660	2.7
163.11165	19.7
165.09109	6.4
165.12785	9.5
169.08630	3.8
170.11720	5.3
171.11687	16.5
179.10681	7.6
179.14351	12.0
189.09201	4.4
189.12744	29.9
207.10309	19.1
207.13814	100.0
208.14244	5.5
211.06914	30.1
225.11429	22.7
225.14853	75.2
226.15198	6.4
243.15965	42.8
278.14819	3.8
324.15417	26.1
404.24466	4.7
422.09540	6.2
422.24750	17.1
423.22040	58.4
441.95728	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	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
57.03440	1.6
57.07056	0.8
57.85248	0.9
67.05506	3.0
69.03440	4.0
69.07077	2.6
70.06599	6.8
70.12218	1.9
70.12558	1.4
71.04997	1.9
72.08161	3.8
79.05502	2.8
80.07299	0.9
81.03419	2.2
81.07083	5.8
83.04985	3.5
84.04520	0.8
84.08141	4.3
85.02899	8.3
85.06519	1.5
86.09704	5.7
87.04458	1.0
91.05446	4.4
93.07041	6.0
95.04979	6.0
95.08604	5.3
97.02911	1.9
97.06535	8.8
98.09637	1.1
99.04463	2.4
99.08077	1.0
105.07038	10.8
105.96584	1.0
107.05042	1.0
107.08588	8.3
108.08856	0.9
109.02930	1.0
109.06498	4.2
109.10177	3.7
109.85078	0.9
110.07169	1.3
112.08694	0.9
113.06004	4.1
119.08584	11.6
120.08102	5.3
121.06504	2.5
121.08490	1.0
121.10128	5.6
123.08071	4.0
123.11691	1.3
125.09634	3.0
127.03934	1.1
129.10249	2.7
131.08574	4.7
133.06473	1.6
133.10149	5.8
135.08052	27.6
135.11722	2.7
136.07544	1.6
136.08450	1.3
137.09633	5.1
141.09138	1.2
143.08479	0.9
145.05009	1.4
145.10170	2.6
147.08047	2.5
147.11693	13.8
149.09641	10.8
149.13277	0.9
151.07635	1.2
151.11194	1.8
153.09103	1.1
156.09372	1.4
159.11717	4.2
161.09595	1.7
161.13271	6.7
162.13789	0.9
163.11244	1.7
165.09123	2.2
165.12804	1.5
167.10724	2.2
171.11725	3.2
177.12747	11.8
179.14346	1.8
189.12720	11.8
195.13824	1.6
207.13817	32.1
208.14113	1.3
225.14857	58.9
226.15207	3.3
243.15919	13.3
301.11789	1.3
421.68527	1.0
422.26132	3.5
423.16284	100.0
439.72305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05506	3.2
57.03452	3.2
57.07070	1.5
58.40455	1.1
61.02931	11.6
67.05493	5.6
69.03424	8.1
69.07071	7.1
69.22169	2.6
69.22552	4.6
71.04985	3.5
73.02921	3.7
77.99171	1.2
79.05482	3.5
81.03406	3.9
81.07057	17.1
83.04970	2.5
83.08618	3.3
85.02905	39.8
86.09686	1.7
87.04450	2.1
89.06017	3.5
91.03924	2.4
91.05473	3.2
93.07037	4.8
95.04973	26.1
95.08604	18.4
97.02886	13.3
97.06543	3.8
99.04459	3.1
105.07034	6.0
107.04957	1.6
107.08589	10.3
109.02876	2.3
109.06524	13.3
109.10164	31.9
111.08131	1.9
113.84908	1.4
119.08581	5.9
121.06490	2.7
121.10136	5.4
123.11707	51.2
125.05977	3.4
127.03926	7.1
131.08543	1.4
133.08624	1.8
133.10133	3.0
135.08141	1.7
135.11665	5.5
137.05939	9.2
145.04971	14.0
145.10130	3.1
147.11699	7.1
149.13225	3.6
151.07512	8.1
153.12747	100.0
154.13034	2.4
155.07011	2.8
156.09425	1.2
161.13229	4.3
163.06012	4.7
163.11148	3.1
165.12749	65.1
166.13129	3.1
171.00150	1.2
189.12720	7.2
204.76260	1.8
207.13802	36.2
208.14076	1.8
225.14861	74.6
226.15239	3.1
387.20181	1.7
422.24951	2.7
423.25443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01868	3.0
55.05514	11.5
56.05032	7.0
57.07067	2.7
61.01150	8.9
61.02933	3.2
67.05502	4.3
68.05042	6.3
69.03432	7.5
69.07057	7.8
69.78352	9.5
70.06586	7.6
70.28122	2.4
72.08160	100.0
72.10741	2.4
73.07874	2.7
73.08486	21.6
76.23489	2.8
79.05504	6.8
81.03424	37.0
81.07060	16.2
82.72239	2.2
83.04970	6.5
84.04510	6.9
84.08144	21.1
85.02917	18.9
86.09722	6.3
91.05486	11.2
93.07050	17.0
95.04971	50.6
95.05540	5.0
95.08631	13.9
95.09199	2.1
96.04488	2.8
97.02895	6.2
97.06526	8.5
99.04468	7.5
104.05325	4.3
105.07024	28.9
107.04968	3.1
107.08614	15.7
109.06534	10.1
109.10149	2.7
111.08100	10.1
113.06016	3.7
113.06253	3.4
113.07130	49.6
113.07877	3.7
114.07484	21.2
115.03900	3.0
117.07006	5.3
119.08576	17.4
120.08117	8.1
121.06477	2.5
121.10146	18.4
123.08065	9.4
124.30048	2.7
125.05997	4.8
127.03897	5.3
129.07071	3.1
129.10260	8.8
130.08598	3.2
131.08574	42.6
133.06462	3.3
133.10130	11.1
135.08052	3.0
135.11795	3.2
139.11201	6.9
145.10179	6.2
147.07962	2.9
147.11693	30.5
149.09608	12.8
151.07568	11.2
156.09300	4.4
159.11671	12.0
160.27411	2.3
161.07426	12.7
161.13316	9.2
162.07806	4.6
165.12784	10.1
169.08629	14.1
171.11728	7.9
172.96432	2.5
177.12749	6.9
177.77008	2.7
189.06950	17.5
189.12770	31.0
190.07242	13.1
191.06577	3.6
195.13870	3.8
197.43013	2.4
207.13812	71.0
208.14159	3.6
225.14841	32.5
233.11383	16.4
234.11714	21.9
242.17474	2.7
243.08786	3.8
243.15947	10.8
244.11966	4.0
288.13611	2.9
289.13962	4.0
404.22928	6.7
422.24298	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	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
56.69756	1.1
67.05468	2.9
69.03429	3.4
69.07062	2.3
70.06599	7.7
70.72553	1.6
71.04973	1.3
72.08152	4.8
73.17519	1.1
79.05489	2.4
79.66367	1.0
81.03422	2.5
81.07053	5.1
83.04974	2.3
84.08131	5.6
85.02917	8.5
85.06544	1.5
86.09698	6.3
91.05488	5.5
93.07056	5.6
95.04980	7.9
95.08612	5.0
97.02882	1.2
97.06525	9.7
98.23380	1.3
99.04429	1.7
99.08066	1.5
102.05630	1.2
105.07029	12.4
107.08590	11.7
109.06489	5.9
109.10155	3.5
111.08093	1.8
113.06017	4.6
117.06998	1.6
119.08588	11.5
120.08110	5.5
120.11614	1.2
121.06518	2.0
121.10133	8.2
123.08096	4.2
123.11723	1.7
125.09631	4.8
127.03919	1.3
129.10231	2.7
131.08568	4.7
133.10080	6.0
135.08051	34.4
135.11647	2.3
137.09615	5.8
139.11169	1.5
141.09085	1.5
143.08585	2.3
145.05028	1.7
145.10136	2.8
147.08061	3.1
147.11639	13.8
149.09633	10.2
149.13251	1.4
151.07562	2.2
151.11153	3.0
156.09438	1.3
159.11713	4.4
161.09599	2.8
161.13255	9.1
163.11163	1.8
165.09158	2.4
165.12750	3.0
167.10655	2.7
171.11667	3.7
177.12737	9.7
179.14319	2.6
185.11732	1.2
189.12750	13.5
195.13759	3.3
207.13811	37.2
208.14151	2.4
225.14862	66.7
226.15242	3.6
243.15924	16.2
271.17133	1.1
387.31207	1.2
421.68909	1.9
422.26361	3.7
423.16245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01885	6.9
55.05515	9.7
57.03425	4.8
57.07085	6.2
58.06606	5.1
59.95732	3.0
67.05492	16.3
69.03439	16.4
69.07071	13.0
69.29595	19.3
70.06592	26.7
71.05000	12.4
72.08155	8.6
73.02919	4.6
79.05492	11.7
81.03421	6.4
81.07065	27.5
83.04956	8.1
84.04493	9.9
84.08152	21.1
85.02914	33.6
85.06548	10.8
86.09705	21.2
91.05488	13.2
93.07052	17.8
95.04983	7.8
95.08610	35.8
97.02900	8.4
97.06535	16.9
98.05997	3.3
98.22738	7.2
99.04472	17.7
99.08110	7.5
99.82008	3.1
105.07037	28.3
107.08578	29.5
109.02828	3.4
109.06506	21.3
109.10162	48.6
111.08104	7.2
113.06017	7.8
119.08593	26.8
120.08104	15.2
121.10170	46.4
121.85139	4.0
123.08070	44.1
123.11752	7.8
125.09655	6.6
127.07617	5.5
129.05463	10.2
129.10271	12.1
131.08644	5.8
132.10220	3.8
133.06535	3.7
133.10149	12.2
135.08063	14.2
135.11729	9.1
136.07594	12.6
137.09621	43.7
141.09099	5.0
145.04979	5.3
145.10124	9.0
147.08052	8.9
147.11705	34.9
149.09650	34.7
151.07558	9.9
151.11189	14.9
161.13286	34.5
163.11212	15.5
165.12781	19.0
169.08562	3.8
171.11737	9.1
177.12744	6.7
179.14339	21.4
189.12740	32.2
207.13831	74.5
208.14310	3.5
225.14873	100.0
227.11824	3.8
235.90236	3.3
240.19661	5.0
241.19839	3.7
242.20297	7.7
243.15924	16.2
246.12334	4.5
255.11307	15.0
258.20663	11.9
259.21036	9.6
260.21335	13.9
293.11725	4.0
301.11813	17.0
421.69043	4.7
422.26923	26.5
423.16296	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	422.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
57.03436	5.2
66.93650	1.2
67.05507	17.6
68.87758	1.1
69.07068	5.7
70.06585	2.2
71.08633	3.2
79.05494	8.7
81.07059	21.9
83.04979	3.1
83.08610	6.7
84.08157	2.3
85.06531	1.5
91.05472	6.5
93.07041	15.2
95.04956	2.5
95.08640	7.5
97.06529	3.7
97.10174	1.7
99.08067	2.8
105.07014	2.7
107.08582	7.8
109.10152	2.3
109.54146	1.3
111.08099	2.3
117.07013	3.2
119.08606	3.7
121.10146	4.1
123.11694	1.8
131.08536	2.3
133.10135	2.4
135.11732	3.1
137.05896	1.5
143.08591	1.7
145.48940	1.3
147.11665	3.0
149.13260	8.1
151.11212	1.5
159.11708	6.6
161.13263	2.1
177.12798	7.6
179.14337	1.7
195.13847	4.3
246.97198	1.3
269.17465	46.5
270.17752	2.5
277.21756	4.5
282.45087	1.6
351.25168	8.6
369.26328	5.4
422.22198	4.2
422.28531	6.2
423.23593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.9
57.03423	5.5
62.45584	5.2
67.05507	37.6
69.07055	10.2
69.96046	5.2
69.96389	12.9
76.12484	4.9
79.05496	16.1
81.07050	42.2
83.08591	9.8
91.05489	18.0
93.07048	27.5
95.08621	15.7
97.06533	7.2
98.23321	7.5
99.08079	9.3
104.99269	19.4
105.07039	15.3
107.08588	14.0
109.10176	8.3
111.08095	9.7
116.86031	5.7
121.10157	10.9
131.08572	6.4
135.11671	13.4
149.13242	15.0
154.25052	5.3
159.11710	15.5
167.07051	24.2
173.11775	9.0
177.12781	18.8
179.14337	10.2
183.65439	5.7
195.13905	12.2
229.14317	7.7
269.17484	100.0
277.21600	14.5
339.97229	9.3
351.25320	18.3
369.26471	10.8
423.23520	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
56.80240	1.5
61.00863	1.2
61.01145	6.3
61.85688	1.3
64.37389	1.3
70.06595	6.7
72.04516	10.0
72.08152	2.7
73.02915	2.3
78.03796	15.7
83.04980	1.6
84.08101	1.5
85.02906	6.5
86.06060	1.9
88.02216	5.9
94.95607	1.3
99.04453	5.9
99.05579	3.5
102.03768	22.0
103.02152	4.4
103.03937	17.4
108.04535	1.5
109.02886	4.4
114.03746	4.2
120.04775	4.3
120.08125	4.4
124.07596	1.8
126.05502	19.4
127.03913	7.8
131.06375	10.2
132.04787	14.0
133.04997	1.4
136.07570	3.8
142.08646	4.0
149.07434	52.6
152.07030	1.6
158.02684	1.7
159.05846	2.8
170.16078	1.4
175.05386	2.9
178.94127	1.3
180.06575	13.5
184.09694	2.3
197.07704	1.4
198.07666	3.1
213.12306	2.4
216.08662	2.6
231.11627	5.9
257.09494	2.0
261.12747	4.3
275.10593	4.1
276.09250	1.7
293.11636	100.0
294.11832	3.2
363.10553	1.6
405.16928	31.2
446.60474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05506	0.5
67.05521	0.6
69.07052	0.4
70.06637	0.4
70.87309	0.5
71.32368	0.4
81.07059	0.5
84.08084	0.4
93.07037	0.6
95.08596	0.6
103.16344	0.4
121.10107	0.4
133.10045	0.4
134.09338	0.3
139.95018	0.3
219.90125	0.4
241.85524	0.4
269.17490	0.6
270.17789	1.0
318.42593	0.4
331.70502	0.4
353.15610	0.5
405.22736	0.4
423.23520	100.0
424.23950	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	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73188	0.4
67.05512	0.6
69.07033	0.4
69.97441	0.9
85.48816	0.4
95.08623	0.5
98.08437	0.4
119.08549	0.4
143.59000	0.4
169.04767	0.5
171.11639	0.5
298.19861	0.4
299.14578	0.7
311.47620	0.4
344.66425	0.4
423.23532	100.0
424.23880	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	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73188	0.4
67.05512	0.6
69.07033	0.4
69.97441	0.9
85.48816	0.4
95.08623	0.5
98.08437	0.4
119.08549	0.4
143.59000	0.4
169.04767	0.5
171.11639	0.5
298.19861	0.4
299.14578	0.7
311.47620	0.4
344.66425	0.4
423.23532	100.0
424.23880	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	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
67.05491	1.0
69.44068	1.7
79.05486	0.5
98.23552	0.4
109.10146	0.6
121.29204	0.4
149.02287	0.5
183.18283	0.4
193.04993	0.5
194.05249	0.7
195.10001	0.5
349.19958	0.9
423.23514	100.0
424.23849	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	423.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54232	0.4
52.99999	0.5
55.05484	0.7
58.28906	0.6
67.05501	2.2
69.03405	0.6
69.49563	2.4
70.06576	0.7
70.45369	0.4
79.05479	1.3
79.63998	0.5
81.03399	0.5
81.07047	1.6
91.05507	0.6
93.07042	1.5
95.08594	1.1
105.07019	1.0
107.08628	0.9
109.10152	1.4
119.08620	0.6
121.10097	0.5
131.08531	0.7
143.08569	0.5
145.10152	0.8
149.02287	1.5
193.04926	1.0
194.05266	0.9
195.09976	0.9
251.12546	0.9
261.22272	0.5
270.49783	0.5
370.05072	0.6
406.28378	0.6
423.23541	100.0
424.23825	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24302	0.7
55.01869	1.2
55.05513	6.8
57.03424	2.3
57.03691	0.7
57.07071	2.2
60.22645	0.6
67.05503	7.4
69.03424	0.9
69.07068	10.3
70.95493	0.7
71.04984	2.6
71.08624	2.4
77.03957	0.8
79.05496	4.7
81.06616	0.5
81.07057	13.6
83.04982	1.4
83.08637	5.2
87.60200	0.7
89.06042	1.7
91.05479	2.7
93.07047	7.1
95.05000	1.1
95.08604	15.2
97.06548	2.3
97.10173	1.8
99.08099	1.4
100.00110	0.7
105.07057	4.2
107.08605	8.0
108.99075	0.7
109.06514	8.5
109.10165	6.2
111.08093	1.4
111.11757	0.8
113.00005	1.1
117.07034	1.1
119.08597	6.9
121.10145	6.2
122.07223	0.8
123.08067	46.3
123.11700	2.8
124.08425	0.9
125.09631	1.2
131.08594	2.0
133.10138	5.1
135.08072	6.9
135.11728	3.4
137.09604	3.1
137.13342	0.8
145.10138	3.3
147.11667	3.6
149.09631	2.7
149.13269	3.2
151.11168	1.0
159.11726	3.3
161.13301	3.0
162.45808	0.9
163.11240	1.0
165.12764	1.3
173.13290	1.8
175.14793	1.4
177.12779	3.7
179.14310	21.6
180.14703	0.8
187.14821	1.4
193.15869	1.1
205.15944	1.5
215.18010	1.0
233.19055	1.2
247.20494	1.1
263.20065	1.2
275.20001	4.1
289.25369	0.7
293.21127	3.7
303.26807	4.8
331.26288	26.1
332.26730	1.8
349.27429	6.9
367.24811	1.8
405.30350	1.5
423.31055	100.0
424.31525	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.05512	6.7
57.03443	1.4
57.07071	2.1
67.05509	9.3
69.07069	11.4
69.89793	2.7
71.05001	1.7
71.08615	1.8
79.05504	7.0
81.07061	14.0
83.05003	1.9
83.08616	4.4
85.36691	1.0
89.06049	3.4
91.05489	4.7
93.07051	11.4
95.08603	15.3
97.06548	2.9
97.10178	1.5
98.23486	1.2
99.08114	1.2
105.07024	6.9
107.08582	10.9
109.06509	9.4
109.10137	5.4
111.08094	2.1
115.99323	1.0
117.06988	1.7
119.08585	8.2
121.10175	5.6
122.07254	1.1
123.08072	44.1
123.11722	3.3
124.08424	1.1
131.08597	3.7
131.34200	1.2
133.08687	1.4
133.10132	6.9
135.08023	6.9
135.11684	5.7
137.09633	2.2
137.13283	1.7
140.68715	1.2
143.08582	1.5
145.10149	6.1
147.11723	3.1
149.09648	3.9
149.13246	3.5
159.11685	5.1
161.09720	1.1
161.13219	2.7
165.12805	1.3
172.36482	1.2
173.13304	2.1
175.14845	2.0
177.12764	3.4
179.14311	15.7
183.11778	1.2
185.13286	1.7
187.14856	2.0
189.16348	1.4
193.15993	1.9
201.16414	1.8
211.14594	1.0
215.18039	1.9
239.14975	2.1
247.20592	1.8
271.16324	1.2
275.19962	5.6
286.55774	1.1
303.26901	4.7
330.66544	1.1
331.26303	32.2
332.26572	1.7
367.24875	2.9
394.61844	1.1
423.31073	100.0
423.36108	8.4
424.31210	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35789	1.6
55.05513	5.8
57.03436	2.3
57.07078	3.1
67.05511	6.1
69.07062	7.3
69.63438	5.9
71.08627	5.1
72.15573	1.8
79.05487	3.9
81.07065	10.4
82.58501	1.6
83.08617	3.3
85.06563	1.7
90.91094	1.7
91.05507	1.7
93.07053	6.9
95.08602	11.0
104.26650	2.0
105.07066	3.5
107.08595	6.8
109.06514	11.0
109.10154	4.6
119.08584	5.9
121.10151	4.1
123.08070	29.8
129.60733	1.8
135.08076	8.3
137.09642	2.6
147.11745	2.6
149.09602	2.4
149.13181	2.2
165.12689	2.6
173.13231	2.0
177.12836	2.0
179.14314	46.7
186.03946	2.1
193.15897	2.8
275.20038	2.2
303.26978	3.3
331.26309	28.3
349.27469	6.9
423.31067	100.0
424.31262	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45041	1.7
55.05522	6.4
67.05514	10.9
69.07085	7.9
69.82036	3.5
69.82431	3.7
71.08678	2.3
76.47307	1.7
79.05508	6.0
81.07056	13.4
81.22581	1.9
83.08633	3.0
91.05518	3.1
93.07062	8.3
95.08606	10.5
97.06586	3.2
97.49523	1.7
98.06050	2.0
98.22746	3.7
105.07062	5.0
107.08617	8.2
109.06518	11.6
109.10191	5.0
111.08113	2.2
119.08620	5.5
121.10184	5.3
123.08072	48.7
123.11791	2.0
131.08545	2.1
133.10170	7.5
135.08049	10.6
135.11668	3.7
137.09679	3.7
145.10181	4.3
147.11739	4.7
149.09631	4.4
149.13255	3.0
159.11713	2.3
177.12805	4.4
179.14331	27.5
191.14233	1.9
275.20142	4.9
303.26999	6.5
331.26318	31.8
423.31271	100.0
424.31384	9.5
433.37210	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85961	0.9
55.42559	0.9
55.99234	0.8
56.96562	5.9
57.03070	1.1
61.13211	0.8
69.29427	4.1
98.97578	79.7
116.98619	40.1
133.26060	0.9
134.99663	9.2
198.97951	1.0
216.98843	4.5
234.99966	6.9
240.98833	12.4
253.01012	1.2
256.96762	1.2
258.99817	100.0
259.99930	4.9
261.03156	1.9
264.98929	1.9
274.97803	1.9
277.00851	87.0
278.00937	5.8
282.99979	69.3
284.99976	1.8
298.97855	1.6
301.01038	70.8
302.01038	1.1
303.00873	2.6
316.98950	1.9
319.02063	4.4
359.00186	1.0
367.39740	1.0
382.99921	9.3
384.00229	1.0
401.01050	37.1
402.01025	4.1
407.00079	5.1
419.02124	5.6
425.01141	33.9
443.02228	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01867	5.6
55.05510	2.3
56.05014	0.8
57.03444	1.0
61.02920	0.8
66.18461	0.7
67.05499	5.5
69.03431	5.8
69.07072	7.2
70.06599	4.4
71.04978	2.1
72.08174	1.8
76.64729	0.7
76.80650	0.8
79.05500	4.2
81.03442	1.5
81.07056	8.1
82.06590	1.1
83.04976	1.0
84.08135	3.8
85.02898	4.8
85.06534	2.6
86.09707	6.6
87.10057	1.7
88.29633	0.8
91.05479	2.7
93.07047	10.1
95.04964	7.3
95.08593	8.3
97.02882	2.1
97.06540	6.1
99.04446	4.1
101.06023	0.9
105.07041	7.5
107.08601	21.5
108.08078	0.8
109.06522	3.7
109.10155	1.2
110.07238	1.0
110.09687	7.6
111.08076	1.6
113.06004	3.1
114.61978	0.8
115.03960	1.2
117.06992	1.1
119.08592	3.4
120.08107	9.9
121.06520	3.6
121.08399	0.9
121.10148	13.3
123.08067	4.1
123.11704	0.9
125.05987	1.7
129.05484	1.1
129.10214	2.7
133.10117	0.7
135.08038	1.1
135.11682	6.2
136.07570	2.5
139.11186	1.7
145.10114	8.7
147.11673	1.5
149.09662	4.1
151.07529	4.2
153.12767	2.3
156.10416	0.8
163.11185	23.4
165.12733	2.1
167.10712	6.6
169.08607	46.6
170.08905	1.7
170.10394	1.2
170.11784	13.7
173.09550	1.8
181.12225	14.2
185.11719	3.0
191.08179	1.4
191.10658	8.9
196.09628	0.9
201.12294	1.7
205.09671	1.0
209.11740	11.4
209.15396	1.8
220.28865	0.7
227.12782	100.0
228.13168	5.0
245.13828	5.4
249.12357	1.4
339.15598	2.1
357.70438	0.8
364.24881	0.9
406.26044	1.4
424.27060	10.2
425.15674	23.2
425.27472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46133	1.6
55.01884	6.8
55.05521	3.0
67.05509	4.1
69.03428	3.4
69.07072	7.0
69.41540	2.9
69.41933	4.3
71.05003	2.7
72.74906	1.9
73.72617	1.9
79.05479	4.0
81.07063	5.3
85.02909	2.4
85.06557	4.0
91.05535	1.9
93.07040	11.1
95.04984	4.8
95.08576	9.6
97.06537	7.6
98.22749	4.0
99.04460	5.7
100.07674	4.4
100.11271	5.7
105.07038	7.9
107.08591	22.7
109.06518	4.5
111.04434	3.7
113.05994	2.5
113.32950	2.2
116.63639	1.7
119.08606	2.8
121.06541	6.3
121.10121	11.6
123.08075	4.7
128.07140	3.5
128.10751	1.9
135.11710	4.1
145.10078	9.2
147.11688	2.0
149.09613	1.9
151.07530	6.7
163.11185	23.9
167.10699	8.9
169.08598	65.4
169.10002	3.6
173.09572	2.4
181.12244	12.6
181.41681	2.0
182.15379	6.7
185.11760	3.6
191.10693	8.4
209.11737	9.2
210.14909	6.7
211.15204	2.0
227.12773	100.0
228.13094	3.7
245.13959	4.8
265.82309	1.9
293.68848	2.7
343.23788	6.2
351.75232	8.3
360.26535	2.1
406.77081	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	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.3
55.05510	1.7
56.13099	0.8
63.67306	0.8
67.05499	3.9
69.03422	4.3
69.07063	6.9
70.06598	3.4
71.04984	2.1
71.45148	1.3
72.08150	1.5
77.18833	0.8
79.05493	4.0
81.07063	5.8
83.04958	1.4
84.08118	1.5
85.02901	4.8
85.06545	4.9
86.09725	2.2
91.05488	2.3
93.07047	10.4
95.04966	2.7
95.08620	8.7
96.08146	0.8
97.02889	1.3
97.06519	7.5
99.04462	4.6
105.07020	8.2
107.04960	0.8
107.08595	24.1
108.08131	1.0
108.08857	1.1
109.06487	5.0
109.10162	1.1
110.09664	4.6
111.08070	2.6
113.06019	3.8
117.07060	1.0
117.72598	0.8
119.08576	1.9
120.08109	3.5
121.06537	4.6
121.10154	7.6
123.08049	4.4
133.06491	1.4
135.08192	1.0
135.11687	6.0
139.11154	1.2
145.10146	7.1
147.11757	1.7
148.39847	0.9
149.09633	3.9
149.38905	0.9
151.07541	5.0
153.12770	0.9
157.08517	1.1
163.11180	20.0
165.12718	1.0
167.10703	6.4
169.08607	58.2
170.08990	1.7
170.11743	7.8
172.42415	0.9
173.09615	1.4
180.08742	1.0
181.12234	13.6
181.86157	0.9
185.11743	2.8
189.39594	0.8
190.59029	0.8
191.10654	8.0
209.11731	10.0
209.15121	1.0
227.12775	100.0
228.13161	3.8
238.47839	1.0
245.13855	3.0
251.10445	0.8
263.06216	0.8
406.25745	1.5
424.16248	1.9
424.21655	1.1
424.27130	7.5
425.16891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
55.05506	4.8
56.24034	0.5
66.84682	0.5
67.05510	1.6
67.08271	0.6
69.03438	0.8
69.07066	8.3
69.07407	0.9
70.06607	1.7
70.61832	0.7
71.04967	1.0
71.08634	12.9
72.08152	2.0
81.07057	5.0
83.05002	0.7
83.08617	5.2
84.08134	1.0
85.02898	3.6
85.06544	7.6
86.09711	1.3
91.05492	1.3
93.07052	2.2
95.08611	3.2
96.08118	0.6
97.02885	0.9
97.06521	1.0
98.09713	1.0
99.04527	0.8
99.08094	11.6
100.07608	0.6
105.07034	1.6
107.08609	1.6
109.06488	0.7
109.10162	1.2
111.08080	71.5
112.08443	2.0
113.05984	0.6
119.08605	1.2
120.08143	0.8
121.10165	1.9
123.08141	0.8
123.11708	3.8
127.03929	0.6
127.07587	0.7
129.09119	1.2
130.41685	0.5
137.07121	1.7
137.13205	0.8
142.07483	0.6
143.78279	0.5
145.04974	0.6
147.11713	3.4
155.14305	96.9
156.14661	3.3
165.12701	2.7
183.13803	100.0
184.14182	3.7
187.13330	0.8
201.14853	50.6
202.15211	1.3
209.15332	1.0
223.14732	0.6
227.16396	4.0
245.17450	5.3
406.25699	1.7
424.27002	1.9
425.25421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21568	4.8
55.05492	5.5
69.07065	10.0
71.08643	14.1
71.27273	7.1
72.30349	4.3
81.07044	5.2
83.08630	12.6
85.02892	8.5
85.06522	7.4
88.31023	4.7
94.00875	4.0
99.08086	12.9
109.29955	4.2
111.08084	92.5
127.63351	4.0
147.11668	6.9
155.14307	100.0
183.13808	77.8
201.14854	38.1
227.16428	16.6
354.16095	5.5
408.65140	4.8
424.26721	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	424.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.2
57.07080	65.6
58.45804	1.8
67.05497	2.6
69.07069	7.5
71.08633	52.2
71.46319	1.9
79.05479	2.8
83.08604	3.3
85.10183	30.9
87.04457	3.3
89.06033	100.0
91.05454	2.3
95.08575	3.7
97.10170	5.7
99.11731	5.6
103.03917	2.2
107.07082	3.9
109.10194	3.8
111.11758	3.9
113.13293	4.7
119.08623	2.3
130.08641	3.7
133.08614	59.9
151.09642	4.8
169.84279	2.2
177.11211	19.4
178.91277	2.1
195.12228	4.6
221.13893	2.5
239.14873	47.1
240.15195	3.1
242.44202	2.0
257.24829	5.4
263.23505	2.1
284.10303	2.2
407.28754	3.8
407.33701	57.6
408.34167	3.3
424.31100	3.8
424.37152	3.1
428.83765	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.4
58.06590	2.1
59.04974	1.1
69.98615	3.4
70.06592	14.2
81.07057	2.2
83.06101	1.2
84.04512	4.8
84.08134	2.7
85.02909	1.8
86.09691	8.3
89.58424	0.9
91.05457	2.0
91.33094	0.9
98.97571	2.1
103.48261	1.2
104.05329	1.3
110.07183	2.8
110.09674	1.1
120.08116	6.4
129.10190	1.5
132.10202	4.6
136.07590	12.3
137.07913	2.8
150.05792	2.2
183.14854	1.3
211.14395	1.9
215.13969	2.2
239.75545	1.1
245.41951	1.0
247.10791	2.2
248.11110	1.7
262.36331	1.1
263.03152	6.5
265.11819	2.8
266.12015	1.3
305.14767	2.0
308.91290	1.0
312.19031	1.8
323.11765	1.5
352.23645	1.1
363.26178	1.2
381.21164	1.9
393.08234	1.3
407.17206	1.3
425.08420	23.8
425.15903	100.0
425.23352	11.2
426.08734	2.0
426.16153	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	425.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54028	1.1
51.81953	1.0
53.03965	1.6
56.05044	1.1
56.96568	3.3
61.02946	1.2
69.03431	5.0
70.06596	4.3
70.32292	2.0
72.08168	3.4
77.00919	1.4
77.83760	1.1
81.03420	3.4
82.49840	1.4
82.99854	2.8
84.04491	2.1
84.08148	15.7
85.02921	6.6
86.09727	1.5
86.14410	1.1
91.77169	1.2
97.02891	10.6
98.97591	15.6
99.97919	1.2
101.00880	20.1
107.04951	2.5
109.02883	4.4
110.07175	4.8
113.00881	5.0
113.73626	1.0
115.02427	1.2
116.98626	6.0
117.03379	2.5
119.01929	30.7
120.02097	2.0
122.07166	2.8
122.68504	1.0
127.02430	4.7
127.03882	1.5
127.12337	1.3
129.10223	5.3
131.01913	13.6
135.04402	6.6
136.07611	2.7
137.02960	3.4
139.02420	2.2
143.01906	22.3
144.02051	1.7
144.75175	1.1
145.03601	20.5
147.01399	1.5
147.03246	1.4
147.11372	1.4
155.01886	18.2
156.02794	1.5
156.07701	3.4
157.03473	13.1
158.99670	1.4
159.01337	1.7
161.01627	1.8
161.02957	32.8
162.03120	2.8
163.03905	47.4
167.01935	5.9
169.03485	2.9
169.40317	1.3
171.05049	1.1
173.02960	20.2
175.02344	1.3
175.04506	3.1
177.00932	1.3
177.02472	1.3
179.01912	4.0
185.02966	25.8
186.03159	2.0
187.04529	4.7
191.03973	2.1
193.03525	2.4
195.05023	3.5
197.02960	17.0
198.03195	1.4
203.02025	3.8
203.04030	17.3
205.03723	1.2
209.02982	3.8
215.04077	4.1
219.02037	2.4
221.02966	48.8
221.05112	12.5
222.03242	5.7
222.05122	1.2
226.12010	1.3
227.04053	3.5
237.02773	1.6
239.03996	13.1
244.13152	1.4
245.03026	4.3
245.05084	100.0
246.05278	5.6
247.04753	2.3
257.02737	1.9
257.05106	16.5
258.99765	6.7
259.04626	3.8
259.99982	4.2
263.03915	5.7
263.06265	27.3
264.06323	2.9
265.05643	1.6
271.04440	2.3
273.06137	1.5
275.06207	3.2
276.88629	1.3
277.00958	5.2
277.05621	3.1
278.00983	3.5
281.02701	1.3
281.05176	11.9
282.99997	5.1
286.07852	1.3
287.04132	3.2
289.05579	3.5
291.07440	1.3
293.07397	1.3
295.06610	3.6
299.03958	3.4
299.09406	1.2
301.01028	6.5
305.04626	8.4
307.06750	7.3
309.08508	2.8
317.04987	13.7
318.05484	1.5
323.06094	3.7
325.07532	3.5
330.89828	1.2
335.06058	3.5
337.07657	1.5
347.06174	2.4
365.07141	83.4
366.07367	8.3
383.08206	32.7
384.08630	2.9
402.01147	1.6
406.10196	1.3
425.09503	4.4
425.19916	1.2
425.25574	1.9
426.19998	1.5
443.02554	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01373	0.6
82.99867	2.1
94.99821	0.7
97.02879	0.8
101.00878	14.3
106.22160	0.5
113.00889	3.4
119.01084	1.2
119.01917	17.9
127.02405	2.5
131.01898	5.8
137.02977	1.1
139.02393	1.2
143.01892	36.8
144.02026	1.5
145.03459	8.0
147.01453	0.8
155.01880	15.9
156.88541	1.1
157.03473	4.8
161.02959	41.3
162.03108	2.3
167.01891	10.2
169.03485	3.0
171.05026	2.2
173.02957	17.8
174.03101	0.7
175.04518	1.9
179.01877	4.8
184.04564	0.7
185.02957	35.4
186.03165	2.3
187.04539	3.3
191.04071	3.5
197.02948	13.5
203.04002	13.4
209.02937	1.1
215.04016	6.5
221.05048	1.1
227.03996	7.6
233.05139	0.8
235.87820	0.6
245.05060	100.0
246.05247	7.3
257.05045	6.3
263.06119	23.1
264.06335	2.0
275.06125	12.4
276.06296	1.2
293.07202	3.7
305.07135	11.2
306.07184	1.0
317.07214	0.8
335.08167	3.5
365.09253	9.2
425.06308	1.0
425.11725	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	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10600	0.7
67.13327	0.5
67.39063	0.6
82.99851	2.7
92.66711	0.5
94.99889	0.7
97.02909	0.8
101.00881	17.8
113.00849	4.0
119.01921	15.7
127.02404	3.4
129.00360	0.7
131.01920	7.9
137.02940	1.0
137.72690	0.6
139.02425	1.4
143.01897	38.9
144.01987	1.9
145.03464	7.8
147.01482	0.8
149.03006	0.8
153.03963	0.7
155.01897	13.4
157.03464	5.0
161.02959	43.6
162.03044	2.2
163.04611	0.8
167.01909	11.9
169.03421	3.1
171.05046	1.8
173.00620	0.8
173.02971	17.2
174.03110	1.0
175.04567	1.1
179.01878	5.1
185.02957	31.6
186.03166	1.9
187.04494	4.0
191.04030	4.4
197.01146	0.8
197.02937	13.5
197.04646	1.0
199.04544	0.7
203.04005	14.6
209.02994	1.4
215.03996	5.4
221.05037	1.6
227.03993	7.7
245.05067	100.0
246.05263	5.9
257.05029	5.5
263.06113	26.5
264.06329	1.8
275.06088	13.6
276.06473	1.2
286.07794	1.0
293.07166	3.7
305.07123	9.9
317.07150	1.0
335.08496	3.4
365.09332	6.5
425.11374	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
56.05033	4.1
57.03426	3.0
58.06598	4.7
61.85999	2.7
67.05487	3.2
69.03421	4.9
69.07056	4.3
70.06583	12.6
70.40865	4.2
70.41199	4.5
71.05002	4.1
72.08154	80.1
79.05503	4.1
81.07031	8.8
84.08139	10.8
85.02898	5.2
85.06532	3.0
86.09702	7.0
91.26812	2.6
93.06985	5.6
95.04954	4.5
95.08611	4.3
96.08147	4.6
97.02918	3.0
98.09698	3.9
105.07025	5.6
107.08572	5.9
109.06601	3.1
109.10135	3.4
110.07152	8.9
119.08544	3.4
120.08100	9.2
123.04385	3.3
127.11163	8.5
129.10234	7.2
129.12582	2.5
131.08525	4.4
132.97166	3.0
135.08038	5.1
145.10112	2.6
145.14388	2.9
159.09160	2.9
170.11763	7.1
171.11740	3.0
191.08150	19.7
205.09708	9.4
209.15314	4.4
213.12323	21.4
255.92012	3.0
263.06793	63.7
263.12573	3.4
263.16342	3.3
270.35168	3.2
312.19174	11.1
315.12250	4.3
339.15421	18.5
408.13864	5.2
424.26974	11.5
425.11929	100.0
425.16919	56.4
425.21979	32.5
426.11761	4.3
426.16785	4.2
426.21896	3.2
426.28671	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.142
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.50441	0.7
54.98439	0.7
58.06606	12.5
66.65903	0.7
70.06593	1.0
74.93928	0.7
108.01964	0.9
122.77374	0.8
127.03802	0.7
136.07524	0.9
412.40842	0.8
425.08688	7.8
425.13699	100.0
425.22937	5.3
426.14087	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	9.4
71.40047	0.9
72.08141	1.5
77.06258	0.7
84.04498	1.7
84.08133	1.3
86.09708	4.2
87.10041	0.8
87.61660	0.8
91.77062	0.8
98.97539	1.5
104.05277	0.9
110.07139	2.0
110.09679	0.9
120.08080	3.6
132.10181	1.3
135.50900	0.8
136.07567	4.2
137.07870	2.6
150.05711	0.8
170.11848	0.8
183.14977	1.0
211.14394	1.4
215.13957	1.6
220.80429	0.7
248.10612	0.8
263.03079	2.3
266.12112	1.2
294.11783	1.0
312.15121	0.9
312.19205	1.1
347.53360	0.9
381.20895	1.7
407.23102	1.1
425.08524	7.9
425.15622	100.0
425.23163	7.2
426.16019	7.7
426.24124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1785
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
55.05509	0.2
56.96569	1.0
57.03423	0.2
58.06605	1.4
61.14664	0.2
67.05507	0.4
69.03420	0.3
69.07087	0.2
70.06600	1.8
71.04991	0.2
72.08157	0.9
74.00668	0.3
79.05488	0.4
81.07064	0.2
84.04485	0.3
84.08138	0.8
85.02899	0.4
86.09704	0.8
90.78803	0.2
95.08586	0.4
98.97588	1.2
107.08633	0.2
110.07157	0.4
110.97600	0.6
116.06999	0.2
116.98644	0.3
120.08129	0.7
121.10105	0.2
124.07594	0.2
128.98637	0.3
129.10239	0.4
136.07610	0.8
137.02365	0.3
137.07982	0.2
146.99680	0.2
153.60062	0.2
158.99712	0.2
177.00717	0.4
177.02101	0.2
185.04189	0.2
195.03302	0.7
210.15709	0.3
213.04457	0.4
213.12303	0.9
219.01773	0.5
221.01173	0.4
226.21655	0.7
227.16484	0.3
227.22067	0.3
228.16805	0.2
237.02888	0.6
239.02335	0.9
244.22774	0.5
245.11467	0.3
248.99698	0.2
257.03403	0.5
261.02802	0.4
262.23798	0.9
263.02289	0.5
263.08945	0.8
263.12463	1.1
263.24020	0.7
275.02277	0.2
279.03824	0.3
281.03357	0.6
299.04471	0.3
310.04843	0.3
323.05667	0.3
325.07272	0.2
337.07480	0.3
341.06656	1.2
351.08594	0.2
353.92560	0.2
365.05606	0.6
383.06375	0.6
407.07581	0.8
424.29279	0.2
425.08487	3.2
425.17841	100.0
426.09027	0.5
426.18152	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	425.1782
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
68.66151	0.4
69.03409	0.8
70.66438	1.0
81.03425	0.6
85.02897	0.7
87.42280	0.4
97.02889	0.5
99.04478	0.5
109.02885	1.7
119.02451	0.5
127.03895	1.1
129.19141	0.4
141.24008	0.4
187.06004	1.3
237.77475	0.4
247.08080	1.2
263.12595	1.0
314.11606	0.4
393.87045	0.4
425.17795	100.0
426.18182	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1787
Annotation	Piscrocin F
Peak:m/z	Relative Intensity
52.19366	0.4
55.05497	0.5
56.05021	0.6
58.06614	0.4
67.05498	1.9
69.03423	0.6
69.07056	0.9
70.06596	2.8
72.08164	0.6
84.08151	0.9
85.02921	0.8
86.09712	3.0
86.10150	0.5
89.27368	0.5
89.40591	0.4
93.07056	0.7
95.08580	0.8
98.09702	0.8
100.11250	1.4
107.08627	0.8
108.08925	0.5
108.14371	0.5
109.10169	2.3
110.09700	1.9
110.91656	0.4
119.08563	0.7
120.08132	2.1
121.10166	0.6
128.10722	4.1
129.05542	0.7
129.10242	1.0
131.08469	0.5
147.11710	0.5
170.11781	2.5
173.11821	0.8
203.05330	1.4
209.15294	0.8
210.15805	0.7
229.14317	2.5
232.11786	1.0
261.05914	1.0
263.12350	0.8
263.14575	0.7
305.15280	2.0
379.17365	0.7
425.17825	100.0
426.18155	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74603	1.9
52.04516	2.1
55.05519	3.4
55.19573	1.9
67.05509	4.0
67.26080	1.8
67.95763	1.9
69.07060	3.2
69.72307	6.7
75.92261	1.8
81.07059	5.1
83.08602	2.0
91.05489	3.1
93.07046	4.1
95.08627	2.6
105.07043	4.0
109.10154	2.2
119.08613	3.4
126.18149	1.9
130.47800	1.8
153.72064	2.3
161.09697	2.2
227.74808	2.4
328.14151	2.0
351.14728	4.4
394.99966	2.3
407.24020	8.8
425.19443	45.8
425.25046	100.0
426.19766	4.8
426.25327	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	0.3
72.65910	0.2
75.40192	0.2
76.10156	0.2
80.68835	0.2
81.07030	0.2
81.55647	0.2
84.37719	0.2
85.86864	0.2
165.09067	0.3
295.15115	0.4
351.21484	0.4
353.66580	0.2
355.17178	0.2
358.36090	0.2
425.25082	100.0
426.25400	6.3
426.31271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64458	1.5
81.90148	0.4
87.02623	0.4
195.48154	0.4
210.70419	0.4
263.12683	0.5
425.25092	100.0
426.25400	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68527	0.3
66.82610	0.3
70.09869	0.6
70.10199	0.6
77.84683	0.3
80.81559	0.3
140.58855	0.3
148.75569	0.4
159.84207	0.3
225.16762	0.3
425.25073	100.0
426.25357	6.0
428.93951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
57.07070	15.1
67.05501	38.5
69.07070	27.2
79.05520	16.7
81.07049	70.4
83.08638	15.2
91.05476	22.3
93.07044	39.7
95.08591	81.8
105.07029	33.1
107.08614	61.4
109.10155	89.2
119.08572	32.1
121.10143	46.8
123.11703	39.8
127.11174	19.7
133.10141	34.9
135.11694	40.3
137.13235	13.5
145.10115	26.3
147.11690	33.5
148.14801	11.9
149.13263	35.0
159.11716	15.3
159.73825	12.7
161.13263	31.4
163.14970	13.2
173.13242	17.4
175.14915	17.0
177.16394	15.6
187.14784	14.3
189.16417	18.3
191.17923	20.0
217.19548	26.2
318.20587	12.1
329.71432	10.9
331.54300	11.5
384.58322	17.4
400.36615	11.3
407.36856	22.3
414.78525	15.0
425.37878	100.0
431.18250	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05509	13.7
57.07078	6.3
67.05498	27.7
68.91804	3.2
69.07072	41.4
70.84420	5.3
71.04996	9.5
71.08643	4.7
71.26018	2.9
79.05489	14.7
81.07059	100.0
81.89194	3.1
83.08624	17.1
87.70552	3.5
91.05479	21.0
93.07054	49.8
95.04976	3.8
95.08607	90.5
97.06548	3.9
97.10163	10.3
105.07037	45.0
107.08593	64.6
109.10159	72.6
111.11771	4.0
116.69252	3.3
117.07008	5.3
119.08578	44.1
121.10148	63.3
123.11710	36.4
127.11176	23.5
131.08560	12.3
133.10120	34.9
135.11682	57.8
137.13243	22.3
145.10143	10.2
147.11678	30.3
149.13272	34.5
154.51711	3.8
159.11655	22.5
161.13275	26.9
163.14804	12.4
171.11623	3.8
173.13280	22.6
175.14781	20.1
177.16396	32.9
185.13313	5.2
187.14813	17.8
189.16351	22.5
191.17886	18.8
199.14891	6.7
201.16367	7.5
203.17966	26.7
213.16463	3.7
215.17955	17.4
217.19603	20.1
229.19556	13.3
231.21074	12.9
256.42245	3.7
257.22687	9.2
259.24255	6.4
270.67795	4.1
271.23984	4.2
283.24197	7.2
285.25766	9.4
339.30383	5.8
343.30051	8.1
407.36749	20.7
425.37823	100.0
426.37961	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	426.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46265	2.0
53.28651	1.9
55.01876	2.2
55.05511	32.1
57.03442	13.4
57.07082	16.4
60.93946	1.8
67.05510	9.4
69.07069	36.2
69.14625	11.9
71.08639	13.7
71.41517	2.0
79.05489	6.0
81.07051	10.4
83.04975	2.4
83.08624	35.3
85.10194	6.2
89.06026	7.3
93.07052	6.9
95.08611	7.8
95.21563	2.0
97.06536	4.3
97.10178	26.7
98.98468	62.4
104.99294	2.8
105.07023	3.0
107.08583	5.5
109.10164	3.6
110.10513	2.0
111.08146	2.9
111.11708	6.2
114.46656	2.0
121.10139	8.1
123.11723	3.2
133.08659	3.4
135.11691	6.6
143.08569	2.3
153.36189	1.7
155.01038	58.2
173.02092	7.8
219.21120	4.8
237.22116	22.3
240.15294	2.3
262.97980	2.9
311.25800	100.0
312.26285	2.6
326.68597	2.0
391.22537	6.6
404.71918	2.0
405.53772	2.0
426.34970	2.4
427.26486	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	426.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83906	2.3
55.05493	3.3
57.03448	3.3
57.07083	15.4
57.45444	2.4
60.46241	2.3
62.06089	26.5
67.05507	4.7
69.07080	4.7
69.55449	11.5
71.08636	13.3
76.47237	2.4
80.94875	2.9
81.07085	7.5
85.10202	7.3
95.08643	7.2
98.98494	5.9
104.99282	19.0
109.10187	5.5
136.51062	2.1
155.01094	7.2
167.23532	2.5
191.44014	2.6
254.24864	12.1
262.98212	11.0
285.24268	100.0
286.24518	4.8
290.03488	3.1
344.98508	3.1
365.20914	5.7
408.25064	5.5
426.35468	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	426.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37298	0.4
53.11319	0.3
53.69193	0.3
55.05505	0.6
56.05033	1.6
57.03440	0.6
58.06607	2.9
59.02267	0.4
67.05512	2.5
69.03426	0.8
69.07068	0.4
69.78592	1.5
70.06601	1.7
71.07368	0.6
72.08163	1.2
79.05500	2.8
81.06651	0.5
81.07053	2.9
83.06117	0.8
84.04507	8.6
84.08144	11.5
85.02892	1.3
86.06074	2.4
88.07619	0.6
91.05482	1.9
93.07046	2.6
95.08615	1.8
96.08138	1.2
97.02897	0.7
97.08927	0.7
98.09708	0.6
101.07124	1.0
105.07043	1.3
107.08585	1.9
109.02873	2.2
109.10183	0.5
110.09673	3.0
111.10531	0.7
112.11245	2.2
119.08627	0.8
121.10145	0.7
122.68990	0.4
124.11215	0.8
125.76322	0.4
127.03932	1.3
128.10713	1.2
129.06615	0.7
130.05008	8.2
131.08575	0.8
133.10149	0.6
136.07629	0.5
138.12753	0.4
145.10095	0.7
147.07681	2.2
147.11671	0.6
150.19133	0.5
170.11777	1.4
187.06065	1.1
205.07088	0.5
247.08226	0.7
261.23315	3.7
262.21649	11.7
263.21951	0.6
263.24811	0.7
279.24329	6.3
280.22711	25.0
281.23105	1.3
297.25357	0.6
298.23773	10.1
298.26987	0.7
299.23941	0.5
321.29031	0.7
347.27072	1.4
363.26358	1.6
364.29660	2.3
365.28174	0.5
381.27512	1.9
391.26074	2.3
408.28604	14.1
409.09308	0.5
409.26996	5.0
426.29630	100.0
427.10181	1.3
427.19485	2.5
427.29916	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	426.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11203	0.2
55.05515	1.5
57.07062	0.9
62.06089	1.2
67.05520	0.5
69.07064	1.8
69.23991	1.3
70.06584	0.7
71.08630	5.2
72.08147	1.1
76.29899	0.2
79.05473	0.4
80.04993	0.2
81.07064	1.9
83.08616	1.0
84.08122	1.1
85.10154	0.4
86.06065	2.7
86.09709	0.3
93.07020	0.9
95.04942	0.3
95.08613	1.5
96.08131	2.6
97.06537	0.4
98.06044	0.9
98.09694	2.1
99.08072	1.7
107.08596	0.9
108.08112	1.1
109.10130	0.6
110.09643	0.3
112.81944	0.3
113.08382	0.4
116.10725	15.4
122.09665	1.3
124.07562	0.4
125.09586	0.3
126.09184	0.6
129.10500	0.3
136.11192	0.4
140.10690	0.7
143.10680	1.3
149.13220	0.6
154.12242	0.4
154.15913	2.9
164.14375	0.5
166.15894	2.1
168.17473	0.7
170.15443	0.4
178.15939	1.1
184.79514	0.2
196.16971	6.7
214.18005	100.0
215.18320	3.1
215.33827	0.2
220.46878	0.2
228.99319	0.3
256.19116	0.4
257.17554	1.4
285.24298	2.5
310.23627	0.7
313.91016	0.2
328.24844	3.0
329.24698	0.3
382.91675	0.3
408.30856	0.3
426.26810	0.3
426.32120	4.6
427.26123	0.8
427.32214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.6
56.05030	1.0
57.07064	1.9
62.06084	0.9
63.88362	0.5
66.81790	0.6
67.05507	2.8
69.07066	5.7
69.53557	0.7
69.53955	1.3
70.06584	1.6
71.04998	0.7
71.07392	0.8
71.08641	2.6
72.08154	2.4
73.06537	0.8
75.71313	0.6
79.05499	1.4
81.07044	5.3
83.08635	4.3
84.04514	0.5
84.08138	1.5
86.06074	16.8
91.05475	0.6
93.07072	3.4
95.04989	0.9
95.08617	4.2
96.08129	3.3
97.00611	0.5
97.06517	1.4
97.10184	1.3
98.06083	1.2
98.09695	10.0
99.08109	1.2
104.14011	0.5
104.99273	1.8
107.08583	2.0
108.08113	2.5
109.10160	1.6
110.09651	0.8
111.08064	0.7
114.09170	1.2
116.10732	43.0
117.11034	0.8
118.04507	0.5
119.08572	1.1
121.08837	0.6
121.10163	0.9
122.09689	2.7
123.11722	0.8
124.07571	1.0
126.09181	0.5
131.35872	0.5
135.11636	0.6
136.11224	0.8
138.09203	0.6
140.10730	0.8
143.10666	4.1
146.08025	0.6
149.13292	4.3
158.30653	0.5
166.15904	0.7
167.14322	0.9
214.17990	10.5
214.19818	0.9
238.17967	0.7
239.16429	2.2
247.76591	0.6
255.59007	0.5
257.17447	3.7
262.98151	1.0
268.22717	1.0
274.21747	0.7
280.22711	0.6
285.24210	2.0
292.22629	3.1
310.23752	17.6
311.24127	0.8
328.24817	100.0
329.25220	5.2
344.98151	0.8
426.32053	10.5
427.26331	2.4
428.93817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.0
58.06609	0.7
70.06583	1.5
70.27115	1.9
85.02939	1.0
98.97580	22.7
103.05467	25.8
104.05807	1.1
110.07059	0.8
116.98621	10.3
131.04927	35.6
132.05263	0.8
134.99652	3.2
149.05974	21.5
158.99646	10.1
177.00703	15.1
187.00598	7.9
193.01735	0.9
195.01767	0.9
199.27760	0.8
204.00975	1.3
205.01717	32.3
206.02159	1.4
218.99669	2.5
219.01773	6.8
222.01950	1.5
223.02773	100.0
224.03140	2.2
237.00652	2.1
237.02834	3.2
241.03807	23.8
246.04382	1.7
247.02769	41.9
248.02975	1.3
265.03830	59.9
266.04227	2.0
279.03830	2.1
283.04926	2.9
288.05377	2.9
307.04904	8.8
388.18665	0.7
427.19443	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	427.173
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
50.63139	0.6
57.03409	0.6
57.62941	0.6
58.43730	0.6
67.05492	1.2
69.35925	3.0
70.06578	1.5
70.43738	0.6
79.05507	0.9
81.07053	0.7
85.02898	0.7
86.09690	2.5
98.22693	1.2
98.97564	0.8
103.05446	1.1
107.04941	0.7
107.08528	0.7
109.10130	0.8
110.09653	0.8
120.08100	30.2
121.06489	0.8
137.23953	0.7
142.12285	0.7
177.01888	1.1
177.10257	3.0
195.02969	0.7
205.09694	1.2
223.10738	5.1
230.14653	1.9
265.10391	0.8
265.14221	1.8
283.12241	0.9
289.03448	0.6
295.05972	3.9
307.05853	0.9
309.07892	0.7
325.07117	1.5
349.72516	0.6
363.08414	1.1
391.07681	0.9
409.08829	1.9
427.17227	100.0
428.17682	6.4
428.29791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1941
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
52.42868	0.4
53.09071	0.4
57.90210	0.3
60.79942	0.3
69.03438	0.5
69.48964	0.4
69.62011	0.3
69.83707	0.8
70.06593	3.9
72.08166	1.0
74.06082	0.4
84.08166	0.8
85.02933	0.9
86.09718	1.4
91.05475	0.5
98.22810	0.4
110.07181	1.3
110.09673	0.4
114.05550	0.4
120.08067	0.7
128.10750	0.5
129.10266	0.8
136.07635	0.6
143.50732	0.4
163.03859	0.6
189.10242	0.6
203.12891	0.4
230.08995	0.9
247.04800	0.4
265.14322	0.4
341.17178	1.3
367.07040	1.0
385.07800	0.5
388.92673	0.4
409.18484	0.5
427.19379	100.0
428.19730	4.6
428.25598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52451	0.2
56.05040	1.8
58.06599	100.0
59.06927	0.6
67.05494	0.3
70.06597	0.3
70.57266	0.5
73.05303	1.1
73.48646	0.2
74.02403	0.3
79.05468	0.3
88.03994	0.5
88.07622	1.5
91.05489	0.4
93.07076	0.3
104.99253	0.5
105.07084	0.3
118.08636	2.0
128.10715	0.4
134.04518	0.6
134.84579	0.2
138.78821	0.2
141.09201	0.2
159.24883	0.3
273.03873	0.3
427.19482	1.5
427.24387	42.5
428.24744	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69991	1.7
81.16704	0.5
104.99271	4.8
201.96303	0.5
205.45065	0.4
221.73857	0.5
262.98209	3.7
269.10611	0.6
344.98431	1.5
367.17862	1.1
389.16220	0.5
427.26685	100.0
428.26996	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	427.267
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45475	1.0
74.56437	0.9
104.99269	6.5
196.31773	0.9
216.17076	1.0
248.76414	1.0
262.98105	4.8
344.98517	2.3
364.69421	1.2
427.26669	100.0
428.26944	6.3
448.00739	1.2
452.42950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79050	0.4
54.51158	0.4
55.05513	0.7
56.05034	1.9
57.03413	0.4
58.06327	0.5
58.06598	4.0
63.30069	0.4
67.05502	3.1
69.03409	0.7
69.07047	0.6
69.09036	2.2
70.06602	2.0
71.07364	1.0
72.08144	2.1
79.05499	3.2
81.07066	3.5
82.06559	0.5
84.04507	4.7
84.08140	12.9
85.02921	0.4
86.06065	1.6
86.09668	0.9
87.04494	0.8
91.05468	2.0
93.07040	3.2
95.04977	0.6
95.08588	2.5
96.08128	1.1
97.06516	0.6
97.08956	0.5
98.09694	1.0
98.22678	0.6
102.05557	2.4
105.07049	1.5
107.08578	2.0
109.02875	0.7
109.10133	0.6
110.09695	2.6
111.10473	0.6
112.11292	1.8
119.08591	0.7
121.10146	0.7
124.11192	0.7
127.03939	0.4
128.10733	0.9
129.06938	0.5
130.05037	2.3
131.08580	0.9
135.11649	0.5
145.10135	0.4
147.11652	0.6
148.06061	0.9
163.86816	0.4
173.69034	0.4
239.89688	0.4
247.08017	0.5
261.23224	1.2
262.21631	7.9
262.24127	0.6
263.21957	0.8
279.24304	2.7
280.22693	23.2
281.23166	1.3
290.84628	0.3
297.25385	0.5
298.23795	11.0
298.27039	0.8
299.24030	0.7
321.78812	0.4
324.73511	0.4
363.26462	1.0
365.27942	2.9
381.27612	0.5
381.74973	0.4
391.26065	0.5
409.26944	15.7
410.27286	0.8
427.28027	100.0
428.28076	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.6
57.07064	6.1
60.69445	0.9
66.60912	1.0
67.05489	5.3
69.07072	26.8
69.10849	3.0
69.11274	3.9
70.24493	0.9
71.08621	2.7
79.05482	1.1
80.60092	0.8
81.07059	8.4
83.08623	8.8
85.10183	2.0
91.05510	2.1
93.07047	2.0
95.08602	6.4
97.10142	4.9
105.07013	1.5
107.08594	3.4
109.10155	5.3
111.11725	4.5
119.08590	3.6
121.10159	2.6
123.08110	1.3
123.11717	1.5
131.08582	1.2
133.10089	1.2
135.08051	3.0
135.11731	1.4
137.09622	9.6
137.13272	1.2
139.07539	1.5
145.10088	1.1
147.08052	1.1
149.09645	10.7
159.11710	1.3
163.11154	7.4
165.09114	100.0
166.09436	2.8
173.09682	1.8
173.13261	1.6
175.11226	2.3
177.09097	5.5
177.12737	1.9
179.10629	1.9
187.11285	1.9
189.09100	2.3
189.12859	1.5
191.10695	8.6
203.10696	5.5
203.14178	1.0
205.12186	10.6
217.12064	0.9
219.13846	2.4
231.13774	2.0
233.15297	1.5
247.84279	1.0
249.68143	1.0
317.24524	1.4
345.27917	1.1
350.12656	1.1
371.29059	1.1
399.32504	1.4
427.15912	1.2
427.35779	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	428.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46626	2.3
55.01861	4.3
55.05505	14.4
59.12906	1.9
66.39930	2.4
67.05498	8.9
69.03371	2.1
69.07060	2.9
69.49397	5.1
69.49785	6.3
71.08642	3.7
74.59840	2.1
79.05492	8.2
80.05032	3.0
80.94858	2.2
81.07059	9.7
82.06570	2.7
83.04955	2.2
83.08604	7.5
85.01134	6.9
88.10247	2.0
91.05468	14.3
93.07026	5.3
94.06562	5.3
95.04965	5.2
95.08597	6.8
95.44588	2.2
97.01073	4.8
97.10190	3.6
99.08068	3.5
102.98531	2.6
103.25803	2.0
105.06998	5.5
105.59322	2.0
107.08594	4.6
110.06065	2.9
111.02660	3.7
111.08075	4.0
112.02144	3.0
119.08610	4.8
120.08103	2.6
126.03739	19.2
131.08560	4.9
133.10129	7.0
138.03777	3.6
140.97308	1.9
143.08525	2.5
152.01694	5.1
152.05299	4.7
163.11172	4.5
164.14275	2.2
166.03189	3.6
167.08957	2.0
176.84459	2.1
178.15862	2.0
195.08252	2.8
204.13615	2.1
204.62576	2.5
206.09956	2.4
208.04153	2.2
208.11545	3.9
218.09914	3.3
220.07819	2.5
234.09413	4.6
236.11084	14.1
238.09016	2.9
238.12564	3.0
248.07484	3.8
254.12091	11.5
264.10547	6.5
266.08496	4.9
280.09979	9.7
282.11615	6.1
290.21259	2.5
293.21109	3.7
298.11337	2.8
300.12604	4.6
308.22168	3.2
310.11057	5.0
318.18893	5.7
323.16544	3.3
336.19867	3.2
340.19403	7.4
341.17844	4.5
346.18506	6.4
348.19958	3.9
364.19415	9.3
366.20996	12.8
367.21301	2.4
374.17654	4.7
382.20615	4.5
392.18878	17.1
410.19952	100.0
411.20242	7.9
428.20697	30.7
428.33093	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	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01880	2.1
55.05505	1.1
57.03445	5.1
61.02925	5.6
67.05495	1.3
69.03431	16.7
69.07071	28.4
70.06591	37.5
71.04997	3.5
71.06911	1.2
72.08154	6.4
73.02917	3.7
74.06090	1.2
81.03418	5.9
81.07054	2.1
83.06117	1.3
84.04501	2.9
84.08153	4.1
85.02907	100.0
86.03257	1.0
86.09710	10.7
87.04481	2.5
91.03963	5.8
93.07059	1.3
95.08607	0.7
97.02894	23.4
99.04456	4.3
99.08106	3.9
101.02384	0.9
103.03956	0.9
109.02886	8.1
110.07139	1.7
113.07082	0.9
115.03941	4.0
116.07109	1.8
117.03380	1.2
117.09117	5.1
120.08108	0.9
127.03917	22.9
127.08714	1.3
128.10744	1.0
129.10243	3.5
133.04916	1.2
135.08119	1.1
141.10266	1.5
143.11797	1.0
145.02863	4.9
145.04961	55.6
149.05983	0.9
154.09750	1.2
155.08165	1.6
162.83302	0.8
163.06024	29.1
169.09729	1.1
177.05470	12.3
182.09290	0.9
183.14937	0.9
187.10802	1.4
199.07880	0.8
201.12303	1.5
203.10306	3.1
211.09412	0.8
213.11160	1.1
215.13942	2.0
217.11919	2.0
229.15407	5.3
231.06493	1.8
231.12263	1.9
247.60730	0.8
258.18192	1.8
266.13785	3.8
325.11362	3.1
329.18216	1.6
359.03214	0.9
377.43637	0.9
428.19067	17.7
428.26114	4.0
429.21484	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	428.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	22.7
58.29427	2.7
58.40594	2.9
62.55494	3.0
67.05513	7.6
69.07079	8.1
69.75209	8.6
71.08636	16.3
81.07071	7.1
82.99342	3.0
83.08630	6.0
85.10184	9.0
95.08619	17.1
98.23433	6.8
98.98468	31.3
109.10182	5.1
119.08569	8.6
121.05741	3.0
121.06497	17.7
137.09647	6.4
155.01047	75.4
168.21983	2.6
169.10037	2.6
177.12749	100.0
178.13228	3.9
183.06540	2.9
191.10670	15.3
207.68526	2.8
239.23672	13.2
247.16954	35.3
263.22833	2.8
299.16245	7.2
313.27368	32.5
337.20490	5.0
393.23962	29.1
429.26941	3.3
429.31946	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	428.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48822	5.4
57.03440	8.3
57.07073	32.3
59.60277	5.2
63.10828	4.6
67.05505	6.7
69.31744	11.4
69.32136	12.0
71.08641	29.0
79.59764	4.9
80.94886	8.8
81.07073	11.0
83.08627	7.0
85.10177	13.1
91.05794	6.5
95.08613	16.8
98.98454	37.8
109.10143	6.8
121.06478	12.0
155.01028	100.0
175.75072	5.9
239.23773	16.5
313.27426	42.7
359.02502	7.4
379.58679	5.4
393.23987	35.9
428.41122	7.8
429.32050	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.7
57.03445	5.4
57.07076	39.5
67.05506	10.7
69.07080	6.4
70.63044	2.8
71.08636	21.6
81.07059	13.8
83.08622	8.7
85.10181	15.0
93.07006	3.8
95.08614	22.1
97.06547	2.8
97.10155	6.6
98.98469	46.1
103.07513	2.3
103.30998	2.4
109.10145	13.3
123.11667	2.9
134.01205	2.3
137.84193	2.5
155.01041	100.0
173.02162	5.5
177.12778	3.0
232.00389	2.3
239.23729	19.2
257.24536	2.9
313.27377	44.0
393.23965	39.7
394.24240	2.7
410.35144	2.7
429.32336	11.8
434.92004	2.9
438.83960	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	428.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
56.05026	1.7
57.03431	0.5
58.06604	4.2
67.05512	2.6
69.07059	1.4
70.06588	2.1
71.44750	0.5
72.08146	1.7
79.05480	1.0
81.07052	3.2
83.08599	0.8
84.04503	11.6
84.08145	12.2
86.06072	3.5
93.07031	1.6
95.08618	2.5
96.08136	0.8
97.10159	0.6
98.82781	0.5
101.07130	0.9
109.10178	1.0
110.09697	0.8
112.11251	1.8
128.10687	1.0
129.06650	0.5
130.05009	10.7
133.77101	0.5
147.07639	2.9
202.12599	0.6
215.62320	0.5
263.24774	3.6
264.23236	15.3
265.23639	0.6
281.25848	6.7
282.24271	24.1
283.24695	1.1
299.26965	1.3
300.25308	8.0
305.29358	1.2
323.30603	0.7
348.30103	0.8
349.28494	0.7
365.28033	1.9
366.31018	2.5
367.29596	0.8
383.28928	0.8
393.27493	1.9
410.30148	14.7
411.28445	4.4
428.31195	100.0
429.31485	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	429.1333
Annotation	Eupachloroxin
Peak:m/z	Relative Intensity
51.42636	4.0
53.91908	3.7
55.33370	3.7
55.63383	3.6
56.96288	6.0
56.96564	100.0
66.99223	3.6
70.06585	10.0
73.04768	8.9
84.08175	6.3
91.05786	16.1
98.97548	7.0
120.08086	13.1
123.06200	3.9
129.10254	5.1
133.55852	4.3
164.53302	4.1
167.05588	8.1
176.03831	18.5
178.05374	42.8
183.03333	6.7
185.82765	4.1
196.06453	21.6
201.04385	9.8
204.03365	11.4
222.04376	82.4
235.12592	4.3
240.05408	54.3
245.06171	5.3
264.05496	40.4
280.59689	4.8
359.02887	9.2
369.11197	95.4
370.11642	4.9
387.12128	9.2
429.11285	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1522
Annotation	SB 243213
Peak:m/z	Relative Intensity
52.54574	0.3
52.98528	0.2
65.63077	0.3
69.07030	0.3
69.79418	0.9
75.01385	0.3
81.70790	0.3
82.72076	0.3
86.09710	0.4
97.33758	0.2
98.23447	0.3
126.18855	0.3
130.68440	0.2
160.76591	0.2
202.06053	0.3
202.94711	0.3
217.04723	3.9
219.06276	0.3
228.07507	0.4
232.07057	38.1
233.07556	2.5
245.07802	0.8
245.27702	0.2
250.08243	0.3
273.09705	0.3
287.46640	0.3
347.13467	0.4
381.12900	0.7
398.13278	0.6
429.15198	100.0
430.15561	6.7
445.62988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1522
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
51.58474	1.4
68.48601	1.5
69.83067	3.4
69.83421	3.0
70.42526	1.5
84.08154	3.0
102.87099	1.6
103.18944	1.7
110.64230	1.6
115.21974	1.5
128.64981	1.6
142.55261	1.7
161.82881	1.6
217.04721	3.9
232.07040	39.8
233.07483	2.7
280.22604	2.8
398.13898	1.9
429.15247	100.0
429.27441	37.3
430.15594	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
67.05489	0.4
69.07063	0.5
70.06597	0.4
72.08167	0.6
76.36310	0.3
81.07027	0.4
84.04501	0.4
84.08137	0.4
86.09708	2.7
95.08609	0.3
96.08118	0.3
105.07021	0.5
109.10152	0.3
121.10246	0.3
130.05046	0.3
143.11812	0.4
146.11826	0.4
160.09679	0.4
163.50287	0.3
185.04251	0.4
203.05272	0.5
212.98224	0.3
223.13029	2.3
249.14645	0.7
267.15765	2.5
285.10107	0.4
291.35468	0.4
385.17282	0.4
399.33817	0.3
429.20956	100.0
430.21295	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	429.216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.9
59.10913	5.5
98.91917	8.1
108.50405	6.3
115.93099	5.3
135.83083	5.1
149.02414	27.9
152.75702	5.3
152.85490	5.7
154.04854	5.9
157.51321	5.7
193.04836	27.2
213.08080	11.0
231.09003	11.9
237.07677	9.0
241.11166	12.0
251.09464	9.0
259.12289	7.5
269.10614	33.9
287.11710	11.4
333.17575	10.2
351.18558	31.7
369.19522	100.0
370.19913	10.9
387.20651	54.3
391.17670	19.8
400.68829	6.5
410.22083	13.6
429.11087	36.7
429.21817	6.3
429.27295	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.4
61.02917	9.8
61.93312	1.1
69.03428	15.9
70.06585	2.4
71.04988	2.3
73.02898	4.3
81.03400	5.2
84.04487	1.4
84.08129	4.7
85.02900	100.0
86.03211	1.4
86.09717	6.2
87.04480	2.0
91.03946	4.9
97.02893	21.1
99.04454	4.6
103.03925	1.3
109.02866	8.4
115.03967	2.3
127.03904	27.3
129.10191	2.8
136.06175	4.1
143.08862	1.1
145.04958	59.2
147.06511	1.2
147.07658	1.6
156.34105	1.3
163.06001	26.7
176.09015	1.6
251.14897	4.5
420.82526	1.3
430.29614	2.0
437.66531	1.6
442.60281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37329	1.2
55.01865	2.9
55.39376	1.1
57.03428	4.1
58.06592	1.5
61.01137	1.2
61.02924	8.2
62.15500	1.1
69.03429	14.6
70.06586	2.2
71.04988	2.2
72.08184	1.8
73.02912	2.3
81.03419	4.5
84.04458	1.3
84.08131	6.7
85.02902	100.0
86.09700	7.8
91.03968	6.3
97.02888	23.8
98.83821	1.2
99.04459	4.2
103.03904	1.7
109.02882	8.4
111.89463	1.3
115.03925	1.2
120.61731	1.4
124.55647	1.1
127.03906	28.4
129.10257	2.5
130.04961	1.4
133.04956	1.5
136.06177	2.4
144.79982	1.2
145.04956	60.1
146.05344	1.2
147.07680	1.8
163.06013	25.7
251.14874	3.4
280.70422	1.3
430.29498	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	430.2954
Annotation	Hippolide B
Peak:m/z	Relative Intensity
55.05502	2.4
57.07081	2.8
58.02934	1.6
67.05512	4.1
69.07059	10.0
70.75195	3.2
75.60487	1.5
79.05463	2.7
81.07040	4.7
83.01339	2.1
91.05488	9.8
93.07040	4.6
95.08607	5.1
97.02880	2.0
97.06538	18.3
100.11272	3.2
100.23765	1.5
105.07040	8.9
107.08607	4.7
109.06510	3.3
109.10197	3.3
112.03962	5.6
114.05513	3.4
117.07029	3.2
119.08606	9.0
121.10134	3.8
123.08043	2.8
126.05517	3.0
131.08592	1.9
133.10130	2.6
135.11691	2.4
137.52052	1.5
139.59258	1.5
140.03426	16.8
140.07077	1.8
143.08585	4.2
145.10121	6.5
147.11601	1.8
150.09132	2.3
155.07043	2.5
155.08496	1.5
157.10121	2.3
159.11734	2.6
161.13277	11.8
163.14824	5.2
168.10229	1.7
170.11752	26.8
171.11742	2.7
182.11775	22.8
183.11821	2.3
196.09726	6.3
196.13351	6.2
213.16351	3.8
214.10744	100.0
215.11105	2.4
217.19455	3.6
223.80544	1.5
225.16580	3.1
231.17471	2.6
233.19098	2.0
243.17355	4.4
261.18610	3.5
265.05887	1.6
269.18918	2.5
316.22610	9.2
324.16980	2.0
338.57111	1.7
339.15646	1.6
340.22824	8.3
355.21210	4.5
358.23770	10.1
384.28848	3.4
388.28369	5.8
394.27460	18.0
412.28458	83.8
413.28766	5.2
417.85312	1.6
430.29660	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	430.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
56.05042	3.2
56.96566	0.6
60.04511	0.5
69.61111	1.3
70.06591	7.6
72.08160	20.4
84.02036	0.4
84.04517	0.9
84.08147	100.0
85.06570	0.8
85.08453	1.0
86.09713	13.6
87.05582	0.5
96.08135	1.3
98.22736	0.6
101.10784	5.5
110.07155	1.0
111.09209	1.4
112.07635	0.7
112.08742	0.8
116.07069	0.6
127.08623	0.7
128.10725	2.0
129.10245	62.8
129.17592	0.4
130.10602	0.7
131.68211	0.4
141.10245	0.7
143.11784	0.4
149.82056	0.5
152.14342	2.1
155.11824	0.4
179.15373	0.6
180.52911	0.5
183.14952	4.7
185.16516	3.6
189.10269	1.5
189.12378	3.7
197.16496	6.7
198.36862	0.5
199.14516	0.6
213.15968	3.7
214.19162	1.0
215.13940	0.7
222.16035	0.5
224.17583	4.0
225.16002	1.5
230.11237	0.6
232.13060	0.7
242.18643	8.4
242.20956	0.8
249.39380	0.4
278.22339	0.5
302.20908	1.1
306.21817	1.4
313.25641	0.6
323.16077	1.6
323.24411	2.4
323.82071	0.5
324.22769	1.0
341.25430	7.0
397.97751	0.5
412.29330	1.0
413.27878	0.7
424.85620	0.5
430.30304	45.6
431.20291	3.1
431.30359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.7
56.05019	2.8
57.03422	1.8
58.06582	0.9
60.04501	0.8
60.89456	0.7
67.05494	4.0
69.03436	1.0
69.07072	6.8
70.06592	38.5
70.69075	1.4
71.06921	2.3
71.27950	0.9
72.08155	32.8
74.06068	1.9
79.05488	1.4
81.07054	7.0
82.06585	1.2
83.06100	2.0
83.08624	4.4
84.04505	10.4
84.08147	30.5
85.02911	1.0
86.09708	52.3
87.05627	1.3
87.10054	1.3
91.05448	1.7
92.44833	0.8
93.07040	1.6
96.08109	1.0
97.06522	1.0
98.09671	2.3
100.10646	1.3
100.11261	20.6
101.07122	2.7
101.10755	0.9
101.11470	0.7
102.05539	1.5
105.07009	2.8
107.08609	2.5
109.06522	1.1
109.10176	6.6
110.07161	1.6
112.08724	2.0
113.06068	1.0
115.05074	0.7
115.08663	1.4
116.07074	2.9
120.08083	1.0
123.11705	8.5
126.09140	1.8
127.07590	0.8
128.10699	2.3
129.06586	1.4
129.10242	23.0
130.05008	11.4
130.08604	1.8
130.10631	0.8
133.06055	0.8
133.10126	7.1
133.20082	0.7
138.09117	0.9
139.54413	0.7
142.12244	0.9
143.11803	6.2
147.07643	17.4
148.06105	1.0
150.44035	0.8
151.11198	6.2
157.13390	6.4
161.12762	1.0
168.13832	24.3
169.12256	3.0
171.11301	4.5
173.09174	1.0
182.12976	0.8
183.11330	1.4
185.09297	0.8
185.12802	5.6
185.16502	1.8
186.14888	38.2
187.07152	2.2
187.15001	0.7
197.12791	1.0
199.10768	0.9
199.18033	2.3
200.13939	2.7
201.12396	0.9
202.08214	1.3
203.10320	1.3
203.13843	1.0
204.15952	100.0
205.08278	0.9
205.16302	3.5
209.16539	4.7
214.11961	0.8
217.11845	2.2
218.12180	1.7
227.17532	19.0
229.11783	1.1
229.15508	2.5
239.17422	1.1
242.14955	1.7
242.18622	1.8
246.14511	7.3
256.16452	0.8
260.12582	0.8
260.16077	5.1
261.14447	1.9
284.19666	2.4
296.18484	0.9
299.17126	0.9
299.20538	0.8
315.17249	0.8
341.25406	1.4
412.26010	1.7
430.16602	0.9
430.21515	12.9
430.29834	10.4
431.22235	1.8
436.49118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.5
56.05031	2.8
57.05811	1.6
60.04522	1.4
61.21598	0.6
69.07059	1.3
70.06592	50.5
71.06913	1.3
72.08156	100.0
73.08482	2.3
74.06077	1.9
76.54488	0.5
84.04503	8.4
84.08144	15.5
85.02903	0.7
85.08474	1.8
86.06079	3.8
86.09705	32.7
87.05582	1.3
87.10040	2.8
90.05550	2.4
92.71264	0.6
96.08160	1.1
100.94047	0.6
102.05542	2.4
110.07186	4.3
112.08736	1.2
114.05532	4.9
115.08691	1.1
116.07132	1.3
120.06635	0.8
120.08141	0.6
124.07694	0.7
128.10706	5.2
129.10240	11.5
129.24585	0.5
130.04974	3.8
130.08678	1.3
130.10606	1.8
133.06104	1.1
143.11789	7.3
147.07658	3.4
148.06053	7.4
148.07877	1.1
154.77246	0.6
155.11794	1.6
157.09767	1.7
160.13005	0.6
163.03917	2.0
167.08195	0.7
169.09775	0.8
171.11272	4.5
171.14952	0.9
172.10738	1.4
173.12816	3.8
181.04858	0.7
183.11298	1.5
183.15062	0.8
185.09213	16.8
185.16432	1.3
199.10655	0.7
199.14438	1.7
200.13904	4.3
201.08714	1.8
201.12401	1.7
203.10280	2.1
205.11810	1.0
215.13918	1.1
217.11906	1.3
218.12366	0.8
228.13416	1.8
231.09726	15.2
233.11404	0.8
246.14542	1.1
247.12883	8.3
256.16559	11.1
256.54193	0.7
260.16000	1.6
261.16330	1.5
284.16006	7.0
299.10199	0.9
302.21857	1.0
312.19186	0.8
395.19345	0.7
430.30334	1.2
431.13882	1.4
431.26053	6.5
431.30621	1.4
432.25851	1.2
434.67169	0.7
454.51025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2502
Annotation	Asp-Val-Val-Val
Peak:m/z	Relative Intensity
55.05512	0.8
55.82006	0.2
55.90145	0.2
56.05032	0.8
58.17871	0.2
64.22579	0.2
69.07079	1.0
69.07391	0.2
70.06591	2.7
72.08156	8.6
74.06079	0.3
80.39256	0.2
84.04506	14.3
84.08150	0.8
85.02937	0.3
85.04817	0.3
85.64441	0.2
86.09707	100.0
87.09548	0.3
87.10040	1.9
88.03999	0.3
89.05992	0.2
91.05477	0.2
96.04493	0.8
98.09712	0.2
102.05542	9.9
102.06229	0.5
108.45335	0.2
110.06066	0.2
113.07108	1.1
114.05525	0.2
116.07135	0.2
120.08163	0.4
124.11215	0.3
129.06610	2.5
129.10257	0.7
130.04987	0.2
132.10216	0.6
141.06561	2.1
143.11787	1.2
144.06569	0.5
148.06023	1.3
152.10680	1.5
155.08191	0.4
157.13348	1.7
162.07585	0.5
170.11763	3.2
171.11226	1.1
173.12862	0.4
185.12840	1.8
185.16524	1.1
189.12341	20.9
190.12714	0.6
197.12859	7.8
198.13231	0.3
199.18071	0.9
201.12308	0.4
203.13939	0.6
213.15991	1.0
215.13907	23.3
216.14227	0.8
217.15533	0.5
219.13460	0.8
225.12369	3.6
227.17503	0.5
229.11884	0.6
239.17523	0.3
243.13405	16.9
244.13812	0.7
247.12833	2.0
251.16621	0.2
261.14474	1.3
270.20743	0.3
284.19785	0.7
296.19644	0.2
300.15485	0.5
302.20837	0.5
310.21191	1.6
338.20737	2.9
356.21817	2.1
431.18936	0.4
431.25003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37150	0.3
56.05040	0.3
57.03441	0.3
57.89039	0.2
59.23284	0.3
67.05503	0.3
69.07056	0.7
70.02952	0.6
70.06602	2.1
71.05811	0.2
72.08156	1.7
73.02917	0.3
73.40357	0.3
74.65199	0.3
79.05465	0.3
81.03419	0.3
81.07042	0.5
84.04520	0.4
84.08131	0.5
85.02900	0.3
86.09705	100.0
87.10020	1.8
88.03992	1.9
91.05474	0.3
93.07025	0.6
95.04996	0.3
95.08559	0.3
96.04492	0.9
98.97580	2.5
99.05608	0.4
102.05552	0.3
105.07063	0.3
110.30218	0.2
114.05524	0.7
115.05035	0.3
115.08695	1.5
116.07162	0.3
116.98618	1.3
120.08142	0.2
124.15650	0.2
125.54875	0.2
129.10210	0.4
132.10205	2.4
133.10193	0.4
135.21341	0.3
138.09157	0.5
141.06581	8.3
141.10240	0.7
143.07045	0.3
143.11806	0.6
155.11813	0.3
156.10222	0.9
157.13338	1.3
158.99628	0.7
159.07642	4.1
171.11317	0.3
173.12895	0.3
177.00723	0.7
183.11275	0.6
185.12833	0.6
187.07130	6.0
189.12238	0.4
199.17976	0.6
201.12335	5.7
215.13963	0.4
219.01721	0.3
219.13423	0.3
229.11838	2.0
245.18613	13.6
246.19000	0.5
247.12955	0.5
251.09589	1.1
254.14941	2.0
269.10663	0.8
269.17459	0.3
272.16077	1.8
282.14471	0.5
284.99945	0.3
299.05466	0.5
300.15530	7.3
311.11649	0.4
318.16626	0.3
342.20248	0.4
353.06424	0.4
367.23322	2.6
370.19684	0.4
371.13354	0.3
395.22791	0.3
413.24005	0.6
413.31262	0.4
431.09766	0.4
431.18802	2.8
431.23770	1.7
431.31146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.05512	3.7
56.05042	0.6
57.05812	0.5
58.06591	0.4
60.04527	0.4
69.03427	0.5
69.07068	3.1
70.06589	2.4
70.71928	0.4
72.08155	36.9
73.08504	0.6
74.06026	0.3
76.09409	0.2
76.51897	0.3
81.03428	0.4
84.04498	1.7
84.08154	0.9
84.21691	0.3
85.02908	3.1
86.03236	0.8
86.09708	100.0
87.10020	1.6
97.02875	0.7
98.09682	0.3
101.07121	0.4
102.05537	1.8
102.43111	0.3
120.08111	0.9
127.03882	0.5
129.10240	0.5
145.04953	1.6
146.05315	0.9
151.14943	0.3
155.08095	0.5
157.13356	0.8
163.06012	1.0
171.14911	0.3
173.09250	1.2
183.07648	0.3
185.12920	1.0
185.16495	26.5
186.16806	0.8
189.12331	0.8
199.18054	1.2
201.08702	1.6
201.12344	2.8
213.15974	26.6
214.16347	0.4
215.13895	1.1
219.13400	20.8
220.13721	0.4
222.13197	0.4
227.17520	1.1
231.17033	1.5
243.13414	0.4
247.12871	0.7
252.19620	0.3
264.44232	0.3
270.20599	0.8
281.22318	0.7
298.21198	0.3
300.15552	0.3
311.05557	0.3
314.17191	0.4
314.20773	0.4
325.07022	0.3
326.24365	4.2
327.24643	0.3
332.21375	0.4
395.07605	0.4
413.27271	0.9
427.99026	0.3
431.18240	1.0
431.23227	0.6
431.28610	0.8
432.25742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3159
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
55.01855	2.2
55.05504	2.6
57.03429	1.2
57.07064	2.6
58.12476	0.8
66.33419	0.8
67.05502	13.5
67.44278	0.7
69.03410	1.0
69.07059	2.5
69.63031	2.9
71.04997	1.4
71.54296	0.7
79.05487	5.9
81.07062	8.5
83.08623	1.5
84.08140	0.7
85.06542	11.2
86.09685	1.4
86.21077	0.6
91.05467	5.6
93.07045	8.9
95.04980	4.7
95.08607	11.0
97.06544	1.4
97.10168	0.8
98.18004	0.6
98.23428	0.8
105.07027	10.3
106.29456	0.7
107.08585	12.4
109.06519	3.1
109.10155	11.9
113.05995	7.3
115.07570	0.9
117.07018	2.7
117.52141	0.7
118.42580	0.8
119.08575	6.8
121.10143	16.4
121.10983	1.1
123.08028	2.3
123.11668	1.1
129.07016	2.2
131.08560	8.2
133.10120	14.1
133.31006	0.7
135.11685	3.1
137.09612	3.0
138.09935	1.0
142.07742	3.6
143.08542	5.4
143.10645	1.9
145.10120	11.4
147.11681	15.6
149.09612	2.2
149.13284	1.7
150.03915	0.8
151.07578	1.0
151.11201	2.2
155.08537	1.7
157.10129	35.3
159.11694	19.2
161.13275	1.7
163.11160	2.2
169.10138	2.7
171.11722	8.6
173.13300	4.9
175.11150	7.6
175.14836	0.8
177.09102	0.9
177.12675	1.4
183.10210	1.0
183.11655	4.8
185.13272	3.2
187.14923	0.8
197.13260	6.7
201.78009	0.8
211.14799	5.6
213.16408	1.7
216.37367	0.7
224.15498	1.8
225.16335	3.6
238.17209	1.6
242.16682	0.8
252.16801	1.3
253.19516	54.3
254.19887	3.4
271.20569	100.0
272.20877	5.6
355.26352	12.9
355.30365	0.7
356.26721	1.0
377.28339	1.1
395.29419	2.4
413.30499	46.6
414.30875	4.0
431.19159	2.0
431.31924	18.4
432.31848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03429	1.3
61.02925	0.7
69.03428	4.4
70.06581	0.6
71.44872	0.6
72.08147	1.4
73.02911	0.5
81.03410	0.5
84.04491	0.4
84.08135	0.6
85.02906	12.6
86.09708	0.8
87.04465	0.5
88.03992	0.4
90.05553	100.0
91.05865	0.7
93.22975	0.3
97.02892	6.1
99.04471	0.8
101.02356	0.6
109.02899	0.7
110.04578	0.4
127.03915	11.7
131.01953	0.4
143.01918	0.7
145.04951	10.9
145.06091	0.7
161.61211	0.4
163.06009	2.1
173.02797	0.4
175.02362	0.3
312.98132	0.7
324.98105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
55.11262	0.5
55.18440	0.5
56.96553	0.7
57.03445	0.6
60.05659	0.7
60.77797	0.5
61.02919	0.8
69.03426	0.9
69.07072	1.7
69.78461	0.6
70.06601	4.7
70.68620	0.9
72.08154	10.0
73.06554	5.0
73.23878	0.5
74.06070	1.5
75.82687	0.7
79.05489	1.4
83.06108	0.6
84.04491	3.0
84.08147	20.3
85.02900	4.5
86.09713	11.2
87.05600	0.9
88.03973	0.8
90.05560	1.0
91.05464	0.7
91.07601	0.9
93.07049	1.4
95.04915	0.6
95.06100	0.8
96.08135	0.6
97.02885	1.0
101.07142	1.2
101.10777	0.9
102.05544	0.9
103.05465	6.4
107.04952	1.2
110.07162	2.9
110.09724	0.6
112.08755	0.8
114.09165	1.0
116.54683	0.7
117.10249	0.6
120.08109	100.0
120.58372	0.6
121.08460	2.2
127.03925	1.1
127.08684	0.7
128.10709	1.2
129.06633	0.8
129.10242	14.7
130.08734	0.6
131.04916	2.1
133.06076	1.4
142.08667	1.0
143.11819	0.6
145.05002	2.1
145.98355	0.6
147.07661	1.8
147.11192	0.7
149.06007	2.0
152.08234	0.9
156.07730	1.0
161.09070	0.8
163.06020	1.1
166.08643	53.8
167.08997	1.1
173.12917	1.7
183.11337	1.0
187.07077	0.9
187.10727	1.6
200.14003	1.0
201.12370	1.6
215.13960	0.8
218.14984	2.2
220.17740	0.6
228.13426	1.3
232.12959	0.9
303.01733	0.7
304.21570	0.6
316.12003	0.6
317.21777	1.4
346.12515	0.6
357.03720	0.6
363.12671	0.7
432.24078	4.6
432.28223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.05030	2.6
56.96558	1.5
60.04533	0.7
67.05497	0.7
70.06598	5.9
71.43262	0.5
72.08158	28.1
82.06583	2.9
84.04505	1.1
84.08146	100.0
85.02924	0.6
85.04047	0.6
85.06525	0.6
85.08479	2.1
86.09714	5.6
88.04010	2.7
89.82433	0.5
94.06609	0.6
96.08144	1.9
98.02469	0.8
98.09689	0.7
98.97587	0.8
99.09229	2.0
101.10794	3.0
102.05573	0.7
110.07172	0.6
112.07635	0.8
112.08739	1.0
124.07582	1.4
127.08682	8.1
128.07083	1.8
129.10245	95.9
130.08653	1.8
130.10669	1.2
136.06157	1.8
137.34184	0.5
141.10307	0.6
142.08650	11.9
147.11320	2.5
147.76425	0.5
154.93225	0.7
169.09686	2.7
170.08116	1.4
172.94373	1.7
174.97672	0.6
175.11957	1.1
187.10780	17.0
188.11072	0.7
190.95386	1.2
198.98561	2.2
200.13876	0.9
201.12349	6.4
204.96898	1.0
214.95412	1.2
215.10229	1.6
216.98637	0.7
218.15009	33.2
219.02145	0.6
219.15422	0.6
228.17107	3.5
232.96417	1.2
238.15437	0.9
246.18347	0.8
312.95386	1.2
317.21863	12.5
318.21924	0.7
319.15518	1.1
325.18863	0.9
330.06927	1.0
330.96588	1.8
343.19809	1.1
360.07959	0.8
372.97568	1.6
414.23254	1.6
415.21884	1.9
432.24557	48.3
433.25049	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56961	0.6
52.50955	0.6
55.05515	4.1
56.05015	1.1
57.03429	1.1
58.06601	7.6
67.05500	5.8
69.07056	3.4
70.06580	4.3
72.04485	0.6
74.06059	1.4
76.65141	0.7
79.05455	2.5
81.07050	8.0
82.06548	1.5
83.08595	2.4
84.08133	1.1
86.06047	0.6
89.66157	0.6
91.05449	0.8
93.07028	3.3
94.06499	0.9
95.08603	7.0
96.08127	3.3
97.06525	1.0
97.10090	0.8
98.22705	1.7
107.08556	1.8
109.10144	2.5
110.09657	1.6
112.07572	1.0
114.09133	0.6
121.10139	1.3
130.08611	1.8
133.10072	0.7
135.11655	1.0
158.69463	0.7
182.19020	0.7
198.18468	1.3
209.88234	0.6
222.22159	7.7
229.19020	0.6
234.95682	0.6
238.21635	8.6
246.22142	0.7
248.21085	1.0
248.23743	20.4
249.24174	1.1
264.23239	19.8
265.23514	1.1
266.21100	0.8
266.21591	0.9
266.24771	8.4
271.06046	1.5
273.07202	0.7
274.97482	1.0
282.24246	9.1
283.24710	0.6
284.25836	79.6
285.26138	4.3
292.22751	3.7
300.25314	74.0
301.25546	3.4
303.62772	0.7
310.23822	0.7
324.00797	0.7
328.24792	10.5
346.25726	4.6
388.26917	12.8
432.25919	100.0
433.26233	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Vitexin
Peak:m/z	Relative Intensity
69.03430	3.7
74.81068	1.8
81.03395	6.7
85.02902	8.3
97.02848	3.4
99.04462	2.2
103.11646	2.1
109.02872	10.4
119.04955	3.2
121.02847	8.2
126.65609	1.9
127.03909	9.2
129.79950	1.9
145.02864	2.7
163.03911	4.8
165.01855	14.0
183.02997	4.3
187.04161	2.0
187.06036	6.9
232.46935	1.9
238.85741	2.0
267.06543	7.0
270.05148	2.4
271.05997	7.1
281.05472	2.1
281.07971	11.4
283.05994	100.0
284.06488	9.8
295.05911	7.8
295.09515	4.8
297.07529	2.9
300.25369	2.2
309.07516	36.7
313.07071	51.7
321.07687	2.0
323.09082	19.3
333.07535	4.4
337.07050	58.7
349.07288	9.5
351.08810	2.8
361.07086	6.0
367.08173	26.9
368.08340	3.3
379.08167	16.5
380.08499	2.1
397.09140	18.3
415.10010	13.0
433.11343	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	433.113
Annotation	Vitexin
Peak:m/z	Relative Intensity
51.13048	0.9
70.06589	1.2
70.62218	1.0
71.05021	1.0
79.01841	2.6
81.03426	3.3
85.02884	4.8
87.99104	1.1
97.02888	1.3
99.04455	1.3
109.02893	4.1
113.23198	1.0
119.04909	1.5
121.02876	13.1
127.03938	3.4
128.10768	1.4
145.02875	2.1
163.03932	1.3
165.01767	2.4
183.02872	1.5
187.05997	1.9
213.05443	3.7
217.04951	3.4
228.07700	1.1
241.04994	1.4
243.02933	2.2
243.06549	1.6
255.06548	4.4
256.07288	8.7
259.06067	2.9
260.04669	1.0
261.03979	2.2
267.06424	1.1
268.07343	1.2
271.05991	4.4
279.06702	1.0
283.06003	62.6
284.06769	33.6
285.07471	3.2
289.75119	1.3
295.06055	10.9
296.06567	1.0
297.07538	20.4
308.06766	3.5
309.07587	7.2
311.05365	2.8
313.07053	71.4
314.07281	5.2
321.07318	1.2
323.05667	1.2
323.09106	17.2
324.09601	1.5
325.07108	7.3
327.08585	2.2
333.07266	1.0
337.03610	1.1
337.07040	29.7
338.07492	1.5
343.08246	7.8
349.06982	1.3
351.08481	4.8
355.08487	1.3
367.08105	13.0
374.79303	1.0
379.08075	8.2
397.09164	21.8
398.09653	1.6
415.10184	38.9
416.10693	2.3
433.11288	100.0
434.11502	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	433.1135
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01861	0.3
68.99806	0.3
69.70917	0.4
73.27166	0.1
84.45393	0.1
91.05483	0.2
98.23506	0.1
115.61390	0.1
119.04935	1.3
121.02881	0.3
121.73397	0.1
145.02858	0.3
153.01825	2.9
153.03070	0.2
163.03873	0.3
171.02892	0.2
181.73892	0.1
225.05376	0.2
229.04944	0.2
233.77673	0.1
243.06406	0.2
247.05933	0.2
271.06000	100.0
272.06351	4.4
283.06009	0.3
309.07623	0.2
313.07047	0.2
337.07062	0.2
387.33807	0.1
397.08762	0.2
425.89853	0.1
433.11206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1876
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
50.07545	1.1
62.15730	1.1
69.31297	6.5
83.05009	1.0
84.55379	1.1
85.24666	1.0
91.31670	1.1
96.95789	1.4
98.23505	1.2
98.91984	1.6
98.98467	1.2
107.08568	1.5
119.08578	4.6
119.53127	1.3
120.08855	1.7
135.08087	1.2
225.13275	1.6
227.05696	1.4
243.14429	3.4
261.07822	2.8
261.84979	1.2
263.09378	5.3
320.09055	1.3
353.21692	4.6
363.18066	1.7
373.16623	100.0
374.16919	4.6
391.17627	40.3
392.17975	2.3
414.19476	13.8
415.19666	1.5
433.18509	12.1
434.19464	1.5
443.76016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69041	1.2
55.05518	1.2
57.03442	1.8
57.07080	9.0
69.07092	2.0
69.14785	1.1
69.59356	0.9
69.75677	3.6
69.76006	1.1
71.08635	6.4
81.07063	4.0
83.08620	1.2
85.10188	1.9
95.08605	5.0
97.10166	1.4
109.10151	1.3
119.08598	2.1
120.08920	1.6
120.96621	8.1
135.08160	1.4
195.00302	5.8
233.90918	1.1
313.27365	16.8
314.27722	1.8
353.26389	1.5
353.37265	1.2
397.79031	1.0
415.22137	7.5
421.52023	1.1
433.23264	100.0
434.23431	4.1
437.33990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2328
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.07227	1.3
51.25483	1.2
55.05531	1.3
57.03433	1.6
57.07076	10.7
67.05493	2.0
69.07087	1.7
70.75471	1.7
71.08633	5.8
79.91499	1.2
80.94849	1.3
81.07053	4.6
83.08606	2.6
85.10172	2.7
91.05502	1.5
95.08612	5.0
97.10180	1.8
109.10176	1.8
113.00064	1.7
114.80196	1.2
119.08552	3.0
119.94154	1.5
120.08916	1.7
120.96638	9.3
125.64059	1.2
166.87567	1.3
179.97905	1.2
195.00272	6.8
271.06110	1.9
313.27383	20.0
344.08160	1.3
353.26733	2.9
415.22348	6.9
433.23257	100.0
434.23486	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	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05501	14.2
57.03430	10.9
62.65386	4.3
63.22358	4.4
67.05506	49.6
69.07071	7.3
79.05498	23.6
80.94860	9.0
81.07054	51.9
83.08597	4.8
91.05496	17.7
93.07037	40.6
95.08627	31.4
98.98470	57.9
105.07042	12.0
107.08584	29.4
109.10155	13.8
119.08606	16.9
120.08929	6.1
121.10156	22.8
123.11694	8.9
124.01033	4.9
131.08580	11.2
133.10121	7.0
135.11658	10.5
145.10149	8.6
147.11702	7.4
149.13240	8.8
155.01036	6.5
159.11658	7.6
163.14777	10.3
173.02133	7.1
216.54886	4.8
243.21251	22.8
261.22162	39.9
317.24832	4.9
335.25854	100.0
336.26215	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	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
53.03941	1.5
54.68098	0.9
55.05515	9.5
57.03437	8.7
57.07076	3.5
62.71828	0.9
65.03937	1.3
67.05504	44.5
69.07064	7.1
70.15828	2.2
71.04994	1.7
71.08629	1.3
71.34904	1.0
72.77580	1.0
75.04475	1.2
77.03947	1.2
79.05498	26.5
79.05952	1.7
81.07056	51.1
83.04979	1.3
83.08624	4.3
85.06567	1.8
91.05478	14.7
93.07040	33.7
93.07604	1.8
95.04986	2.9
95.08604	42.0
97.06570	2.1
97.10170	2.3
98.23441	1.0
98.98465	64.2
99.08150	1.1
100.14246	1.0
105.04513	1.2
105.07040	10.1
107.08589	21.1
108.08972	1.3
109.06507	1.1
109.10159	16.9
117.07023	3.6
119.08565	7.2
121.10145	13.8
123.08062	1.8
123.11716	8.1
131.08563	7.8
133.06573	1.1
133.10139	8.6
134.75764	1.1
135.11685	12.3
137.13258	3.0
145.10135	7.8
147.11690	7.8
149.13261	11.3
151.14810	1.9
155.01054	10.6
159.11687	7.2
161.13264	6.2
163.11099	1.0
163.14862	7.1
165.12814	1.1
173.02092	13.6
173.03543	1.2
173.13275	7.3
175.14806	2.0
177.16368	2.8
187.14885	4.2
227.11131	1.2
233.22635	2.6
243.21114	13.8
245.22620	1.2
261.22125	45.9
262.22549	3.8
279.23297	1.6
283.05847	1.1
287.28119	1.1
291.23358	1.5
317.24695	8.3
335.25784	100.0
336.26117	7.6
356.36731	1.0
406.25739	1.1
415.22437	2.9
433.24002	1.9
433.29242	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	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
55.05508	13.5
57.03428	12.8
57.07079	4.3
62.43532	4.1
64.43200	4.5
67.05505	61.8
69.07064	15.9
69.21244	24.1
79.05485	36.9
80.94867	9.8
81.07056	55.9
83.08601	9.1
91.05466	24.0
93.07043	45.0
95.08607	52.2
96.92200	4.0
98.98461	100.0
100.19752	4.1
105.07030	16.8
107.08588	42.4
109.10169	22.6
117.07021	6.6
119.08591	23.9
121.10154	26.2
123.11681	8.0
131.08549	14.4
133.10129	10.8
135.11693	17.7
145.10110	14.3
147.11705	8.4
149.13258	16.1
155.01073	21.2
159.11720	9.0
161.13272	11.5
163.14813	7.0
173.02112	13.1
173.13237	8.5
175.14709	4.8
233.22766	5.2
243.21016	27.7
261.22107	53.4
279.23230	16.8
288.90808	4.1
290.90594	4.4
317.24597	5.6
335.25836	55.5
415.22226	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	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.01899	0.9
55.05519	12.4
57.03437	12.1
57.07069	3.4
65.03934	1.8
66.81313	1.2
67.05506	51.2
68.05833	1.3
69.07069	10.6
69.78994	2.6
69.79380	2.3
70.25117	0.9
71.08620	1.5
77.03928	1.8
79.05039	2.1
79.05489	34.1
81.07057	58.4
82.07384	1.3
83.08608	4.0
85.06528	1.4
85.10209	1.2
91.05481	15.4
93.07043	41.7
94.07349	1.0
95.04976	3.0
95.08607	50.2
97.06526	1.9
97.10152	3.5
98.22782	1.3
98.98466	77.1
99.08104	1.2
105.04511	1.8
105.07021	13.7
107.08592	29.0
109.10150	20.0
111.08094	1.2
113.09588	1.2
117.07012	5.4
119.08573	13.6
121.10149	19.2
123.08060	1.3
123.11707	10.3
125.09682	1.6
131.08577	9.4
133.10104	9.1
135.11697	15.0
137.13278	3.1
145.10118	9.4
147.11662	7.4
149.13254	10.4
155.01039	12.1
159.11676	8.4
161.13307	5.5
163.11072	1.3
163.14774	5.5
173.02113	15.1
173.13242	6.5
175.14813	2.0
177.12732	1.9
177.16411	3.8
187.14845	3.7
193.80959	1.2
233.22641	3.0
243.21040	14.0
252.15204	1.3
261.22131	46.9
262.22360	3.0
279.23264	1.6
312.59076	1.1
317.24792	7.0
335.25797	100.0
336.26297	5.6
357.62668	1.1
415.22391	4.3
433.23608	2.6
433.29178	11.6
459.01480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05516	12.1
57.03436	11.4
57.07065	4.1
59.19639	0.9
65.03928	2.0
67.05505	54.5
69.07071	10.1
69.85582	2.5
69.85945	1.5
71.05005	1.4
71.08631	1.9
75.04488	1.5
79.05494	30.3
81.07057	55.7
83.04967	1.3
83.08603	6.0
85.10174	2.3
91.05486	14.0
93.07047	42.4
95.04964	3.6
95.08610	43.5
97.06530	2.8
97.10156	2.4
98.98466	75.2
99.08102	1.3
105.04514	1.4
105.07034	13.5
107.08599	23.9
108.08932	1.1
109.10152	19.9
112.03947	1.2
113.09636	1.5
116.46920	1.0
116.99512	1.1
117.07030	5.8
119.08586	13.7
120.96622	3.1
121.10145	20.0
123.08071	2.1
123.11700	8.3
131.08566	12.8
133.10164	9.2
135.11699	12.5
137.13260	3.5
139.11197	1.2
140.03441	5.4
141.03778	1.3
145.10094	7.2
147.11678	6.2
149.13277	10.6
151.14828	1.3
155.01047	12.2
159.11711	6.0
161.13248	6.7
163.14854	6.6
173.02109	13.1
173.13269	6.4
175.14841	3.1
177.16402	3.5
187.14856	3.9
188.93817	1.0
190.08928	1.0
192.83403	1.2
217.19481	1.3
233.22699	2.6
243.21068	14.5
261.22141	46.6
261.78384	1.0
262.22482	2.7
277.21564	1.3
279.23276	3.2
291.22992	1.8
313.27393	4.9
317.24783	6.4
335.25800	100.0
336.26288	5.6
353.52280	1.1
415.22281	1.9
433.15210	1.2
433.23181	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	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58844	2.4
55.05509	8.9
57.03428	5.9
57.07068	6.3
57.33396	2.3
67.05508	47.9
69.07066	8.8
71.08599	3.2
79.05495	29.9
80.94828	3.8
81.07057	50.7
83.08622	8.5
91.05489	15.2
93.07050	39.9
94.21140	2.5
94.84566	2.6
95.04970	3.5
95.08600	42.3
97.06550	4.8
97.10147	3.2
98.98466	100.0
104.99272	2.9
105.07038	16.3
107.08605	32.0
109.10145	17.6
117.07025	5.1
117.21409	2.5
119.08591	24.0
120.08991	2.7
121.10162	20.6
123.11712	7.0
131.08572	11.1
133.10152	9.4
134.90697	2.6
135.11722	16.0
137.13268	4.7
145.10133	9.6
147.11696	7.9
149.13261	14.5
155.01033	24.5
159.11720	10.3
161.13261	6.7
163.14864	11.6
173.02104	16.4
173.13255	7.2
175.14864	4.4
177.16351	6.7
187.14844	6.5
191.14482	2.3
233.22646	4.3
243.21069	24.2
261.22147	57.6
262.22629	3.3
279.23209	3.9
313.27475	3.4
317.24805	7.9
335.25757	52.4
336.26257	5.7
415.22311	8.2
433.14609	4.7
433.23514	15.6
445.56464	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.0
59.04996	3.2
61.02915	3.5
69.03427	81.2
69.03802	4.7
69.92751	5.8
70.06596	3.0
73.02916	8.8
81.03420	8.4
85.02900	95.4
87.04467	47.9
91.03949	2.3
97.02892	76.3
99.04452	4.4
105.07032	15.4
109.02886	8.2
110.03215	2.4
115.03927	100.0
116.48477	2.0
126.83854	2.6
127.03925	19.3
133.04965	98.2
133.06404	11.1
142.28477	2.1
145.04951	40.1
147.07991	2.2
150.07619	14.2
163.05991	14.7
219.10226	3.6
241.07140	3.6
259.08130	4.0
277.09192	2.7
285.13284	5.0
295.10294	5.9
301.37326	2.4
396.16458	2.2
433.28052	5.3
434.21689	2.7
434.30850	7.0
435.19995	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
56.05023	0.9
57.03432	1.0
58.06606	1.8
59.95727	0.8
67.05491	2.6
69.03431	2.6
69.07063	2.2
70.06593	8.5
71.33887	1.2
72.08134	2.5
79.05486	1.5
81.07053	5.3
83.08622	1.4
84.08152	2.8
85.02898	3.2
86.09694	2.4
88.07642	5.2
91.05453	1.1
93.07069	1.4
95.08611	2.7
96.08171	1.0
97.02888	2.1
97.06531	1.2
97.10200	0.8
98.09689	2.4
99.04457	0.9
108.82530	0.8
109.10180	2.1
110.09658	1.2
112.11265	3.6
114.58549	0.9
121.10086	0.9
125.21678	0.7
133.06497	1.9
186.35834	0.8
193.68692	0.9
203.77173	0.8
236.20111	3.0
254.21146	41.3
255.77100	1.0
263.13840	1.0
272.22208	100.0
273.22665	4.2
296.22198	3.0
392.89188	1.0
398.25256	1.2
416.26401	6.9
434.27509	95.0
435.27875	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41977	0.3
55.05495	0.9
56.05019	1.2
57.03415	1.3
58.06607	3.0
67.05481	1.3
69.03403	1.1
69.07043	0.9
69.62233	1.1
70.06561	1.4
72.08157	1.5
79.05466	0.8
81.07048	3.0
83.08595	0.6
84.07677	0.4
84.08142	6.0
85.02885	1.5
85.06534	0.5
85.90553	0.4
86.09687	1.0
87.04440	0.4
91.05420	0.4
93.07037	0.5
95.08604	2.9
95.97787	0.3
97.02884	0.8
97.10151	0.5
98.09653	0.5
105.07028	0.7
106.92725	0.3
107.08611	1.0
108.83062	0.3
109.10155	0.8
112.11210	1.4
119.08572	0.5
121.10071	0.6
123.11681	0.5
127.03869	0.7
131.04892	0.4
133.10139	0.6
133.34244	0.3
147.11609	0.4
187.14601	0.4
236.20132	3.0
254.21152	33.3
255.21474	0.9
272.22198	100.0
273.22537	3.0
320.28723	0.4
416.26312	0.5
434.27499	65.5
435.27884	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05499	6.8
56.33654	1.6
57.03442	5.2
67.05507	33.0
69.07060	5.7
70.06598	3.8
70.40321	2.7
70.40650	2.2
71.05000	5.7
72.08154	2.3
79.05513	9.1
81.07060	8.3
83.05003	1.9
83.08622	5.1
85.06557	3.0
86.09736	2.7
91.05505	6.7
92.49241	1.6
93.07048	9.6
95.08624	5.9
97.06575	2.6
97.10175	6.6
97.20667	1.7
105.07044	5.6
107.08599	8.2
109.10159	44.9
110.85670	1.6
111.08099	1.8
119.08596	6.4
121.10170	3.8
125.09648	3.9
130.02014	1.7
130.98409	1.4
131.08562	2.2
133.10129	3.6
137.09622	1.6
145.10103	4.1
149.09598	2.3
151.07556	2.1
155.10693	5.8
159.11676	2.3
173.11751	23.6
186.00826	1.7
189.11224	2.5
227.12773	6.1
229.14354	100.0
230.14696	3.0
245.13809	2.6
257.18948	2.3
275.20123	8.0
284.06247	3.1
310.07809	2.2
338.07449	2.1
349.23746	7.6
374.26904	2.1
426.44522	1.9
434.28943	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	434.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56585	1.3
55.05504	6.5
57.03444	3.2
59.05003	2.7
64.78874	1.5
67.05505	35.3
68.12330	1.5
69.07060	9.2
70.06577	3.0
71.04992	4.8
71.96409	1.4
73.35882	1.4
79.05497	9.9
81.07057	10.0
83.08624	4.8
86.09726	1.8
91.05482	6.2
93.07043	10.6
95.04987	2.4
95.08635	4.2
97.10181	5.6
99.79959	1.6
99.81617	1.5
103.03884	1.7
105.07037	6.0
107.08569	10.3
109.06541	1.8
109.10157	45.0
119.08576	8.3
121.10149	4.5
125.09657	4.9
131.08508	3.6
133.10106	2.6
145.10149	3.0
155.10640	5.5
158.56493	1.7
173.11751	19.3
173.13177	1.6
183.22073	1.6
189.11215	3.0
205.31076	1.8
227.12752	5.1
229.14343	100.0
230.14662	3.4
239.10159	1.7
255.15814	2.1
257.18964	4.7
272.06357	2.1
275.19922	8.1
284.06445	2.4
310.20578	1.8
338.07364	1.6
349.23529	8.1
367.24622	4.5
374.26999	3.2
418.45572	1.8
434.29184	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	435.1839
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
58.63864	0.7
60.14359	0.7
69.45606	3.9
70.06587	1.1
71.79431	0.7
86.09701	1.0
87.36948	0.8
107.56897	0.9
162.07652	0.8
303.14160	2.1
308.74960	0.9
435.18365	100.0
436.18442	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	435.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
60.04527	7.7
60.05637	1.7
68.05020	1.6
69.03412	0.8
69.07056	0.9
69.70646	0.9
69.71022	1.3
70.06592	47.4
71.04996	6.1
71.06940	0.8
72.08153	5.5
81.03420	0.6
81.07052	0.6
84.08145	1.7
85.02901	2.1
85.07668	0.7
85.08485	0.8
86.09702	2.4
88.03985	0.5
88.07624	1.1
90.05552	0.8
91.05463	1.1
93.07039	0.9
95.06089	14.7
95.08630	0.8
97.02911	0.7
97.07645	4.5
98.06036	0.7
98.22716	0.8
103.05485	2.8
104.04065	0.5
104.05312	0.8
105.07032	0.7
109.10154	0.9
112.07590	3.0
112.08727	16.3
113.07123	1.3
114.10258	3.7
115.08689	21.1
116.07118	0.6
120.08103	100.0
121.02839	0.6
121.08456	2.6
124.32093	0.5
130.06511	1.0
130.08698	0.9
130.09756	3.1
138.10339	1.3
139.08667	3.5
139.09621	0.7
140.07112	1.0
140.08180	2.3
154.09763	1.5
157.09709	9.0
157.10855	0.7
158.09221	0.6
179.03276	0.6
182.09209	3.5
186.22171	0.6
198.39339	0.6
199.11891	16.6
216.14957	0.5
237.12323	14.8
237.20200	0.6
242.13052	0.9
244.14381	1.0
247.10925	0.5
254.21138	3.5
255.21461	6.4
258.15942	0.7
259.15454	2.1
263.13934	1.0
272.22205	7.3
273.15970	0.8
273.22543	15.8
274.22589	0.7
290.30722	0.6
301.16672	1.3
322.18646	0.9
326.78787	0.6
329.16098	1.9
346.18732	0.7
376.19019	1.6
389.09363	0.6
407.10681	0.7
420.52405	0.6
435.10315	2.1
435.23401	82.4
435.27921	14.8
436.23483	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	435.2508
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03944	1.3
55.05259	1.3
55.05514	17.5
57.03448	8.7
57.07071	4.7
60.27560	0.9
67.05507	42.0
69.07071	18.7
69.74242	3.2
71.08640	1.5
78.36880	1.0
79.05486	10.9
81.07060	44.1
83.04994	1.2
83.08632	12.9
83.38540	1.1
91.05476	6.9
93.07048	9.8
95.04987	1.6
95.08611	38.8
97.06548	2.3
97.10152	5.8
98.23367	1.4
98.98470	53.9
103.17818	1.0
105.07027	6.3
107.07961	1.4
107.08598	7.6
109.10150	15.0
111.08084	2.2
111.11774	1.7
119.08566	6.7
121.10162	7.4
123.11729	6.8
133.10110	6.1
135.11687	4.1
136.75909	1.0
137.09593	1.6
137.13303	2.5
139.78209	1.0
147.11732	2.8
149.13257	3.2
151.14832	3.0
155.01045	27.8
159.24413	0.9
161.13287	3.4
163.14842	3.0
165.16496	1.8
173.02127	9.3
175.14847	2.8
183.70654	1.0
189.16391	1.7
190.30827	1.0
191.61780	1.1
245.22618	11.7
263.23746	22.9
271.59735	1.2
319.26086	1.2
337.27365	100.0
338.27637	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88355	1.5
55.05512	19.2
57.03442	10.8
57.07081	5.2
65.03959	1.8
65.17200	1.0
67.05506	49.6
68.71193	1.0
69.07068	21.7
69.86192	4.2
71.05009	1.5
71.08642	1.1
79.05505	12.7
81.07056	47.4
83.04961	1.2
83.08621	11.6
85.06525	1.2
91.05483	7.8
93.07044	14.6
95.04972	2.0
95.08609	39.2
97.06544	4.7
97.10170	6.9
97.60682	1.3
98.98468	63.0
99.08117	1.5
105.07041	4.2
107.08611	8.5
109.10157	14.0
109.47086	1.0
111.08109	1.8
111.11707	1.6
119.08565	5.4
121.10164	6.9
123.11702	8.0
129.45242	1.2
132.03783	1.0
133.05826	1.1
133.10143	4.9
135.11687	3.8
137.09662	1.3
137.13261	2.6
141.12711	1.1
146.49292	1.1
147.11690	3.4
149.13290	3.0
151.14870	3.7
155.01050	33.1
155.02292	2.2
159.66592	1.2
161.13249	3.8
163.14774	2.1
165.16417	2.1
173.02147	9.8
175.14790	2.5
189.16440	1.8
193.90900	1.1
222.16628	1.3
245.22632	12.3
263.23718	29.4
337.27368	100.0
338.27847	4.7
403.95148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2508
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05508	16.3
57.03446	9.2
57.07070	5.0
58.95065	1.3
67.05504	51.5
68.05805	1.4
69.07067	21.6
71.04965	1.4
71.08637	3.0
74.65453	1.3
79.05482	12.8
81.03419	1.5
81.07056	58.9
81.50844	1.5
83.04996	1.8
83.08629	11.1
91.05483	10.5
93.07041	17.5
95.08605	50.8
95.09222	2.8
97.06516	2.5
97.10169	6.0
98.98466	100.0
99.08110	2.0
105.07022	7.4
107.08591	7.2
109.10139	20.9
110.71562	1.8
111.08074	2.1
113.09656	1.8
119.08556	6.8
121.10124	9.1
123.11694	8.7
127.11166	1.4
133.10132	9.4
135.11691	5.3
137.13248	4.0
147.11713	5.9
149.13277	6.0
151.14792	6.8
155.01033	80.2
161.13286	4.4
163.14839	5.1
165.16437	3.1
173.02138	7.5
175.14822	3.8
179.17946	2.3
189.16441	2.0
245.22598	25.5
263.23703	52.8
264.23962	2.0
335.73840	1.4
337.27344	54.1
338.27618	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	435.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44959	0.6
55.05504	2.0
56.05037	1.3
57.03441	1.1
57.90261	0.7
60.04517	2.6
60.05651	9.4
67.05497	1.1
68.05009	0.8
69.03432	2.0
69.07090	1.2
70.06593	100.0
71.04999	7.2
71.06923	1.4
72.08154	6.5
74.06081	1.8
79.05484	0.8
81.07061	1.4
83.04971	0.8
84.08146	4.3
85.02908	2.6
86.09711	20.3
87.04478	0.7
87.10061	0.7
88.07639	3.0
91.05504	1.7
93.07054	1.9
95.05026	0.8
95.06107	4.4
97.02911	2.9
97.06546	1.1
97.07665	3.1
98.06057	3.8
104.05336	0.7
105.07066	1.2
107.08624	2.5
109.06535	1.2
109.10170	1.9
110.07201	1.4
112.08732	29.9
113.07166	1.1
115.08694	9.1
115.09396	0.9
116.07134	1.9
119.08634	1.0
120.08105	34.2
121.02908	1.2
121.08485	1.4
123.08073	0.9
125.06087	0.7
125.09633	1.2
129.10266	3.1
130.09784	1.1
131.08655	0.8
136.07631	0.8
137.06038	2.7
138.12849	1.8
139.08777	0.7
140.08160	4.3
147.04544	0.8
149.06039	0.7
157.09789	1.4
157.10918	6.6
158.09396	0.8
166.08684	1.1
166.12238	0.8
175.11946	3.2
175.67934	0.7
179.10777	1.2
181.04990	0.9
181.76236	0.7
182.16618	1.2
183.14891	5.8
189.07079	1.0
199.12013	3.0
208.14587	1.4
210.16191	2.0
211.14551	1.0
217.12007	0.8
221.11833	1.4
225.17105	16.0
228.17216	0.8
237.12492	2.7
239.12997	1.5
242.19908	2.6
254.21289	1.7
255.21486	5.6
263.07236	1.7
263.14182	1.3
270.19235	4.0
271.17691	5.3
272.22192	5.1
273.07639	0.7
273.22534	10.9
279.17538	0.9
288.20309	7.8
291.06604	1.5
348.12732	0.9
418.24457	5.9
419.19913	1.4
435.10944	4.9
435.27670	95.5
436.11279	0.8
436.22739	3.0
436.27951	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2722
Annotation	(12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin C
Peak:m/z	Relative Intensity
55.05519	4.0
67.05505	11.2
69.07066	2.2
70.06613	2.8
71.45160	1.6
79.05506	5.5
79.32679	1.7
81.07081	6.3
91.05508	5.2
93.07080	5.8
95.08645	3.1
105.07043	2.1
107.08659	2.4
109.06577	2.6
109.10155	9.0
119.08649	2.2
123.08015	1.5
133.10144	1.3
145.10149	2.2
147.11749	2.5
163.03964	2.8
207.13907	2.1
232.00240	1.8
316.81348	1.6
417.26132	40.5
418.26331	2.2
435.11655	2.5
435.27496	100.0
436.27972	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01874	2.2
55.05509	2.8
60.05660	1.0
61.02919	1.3
63.23325	1.0
67.05502	3.4
69.03426	3.8
69.07067	5.0
70.06596	13.7
71.04987	2.9
72.08157	3.4
74.06091	2.0
78.50848	0.9
79.05494	21.8
81.03416	13.0
81.07057	5.7
83.04987	5.0
84.04512	2.2
84.08157	3.8
85.02917	9.7
86.09724	4.2
91.05481	6.4
93.07059	7.7
95.04974	3.9
95.08601	14.5
96.08115	1.0
97.02901	2.5
97.06535	33.4
99.04474	3.4
105.07053	6.3
107.04936	1.3
107.08593	3.2
109.02882	1.6
109.06528	1.4
110.07166	2.7
112.08752	2.0
115.08647	1.1
115.88602	0.9
116.07076	1.2
117.07031	2.1
119.08585	3.8
120.08108	6.9
121.06519	7.2
123.08099	5.6
125.06009	8.1
126.05560	1.4
127.03885	1.3
128.06200	1.6
129.05518	1.3
129.10257	4.9
131.08571	3.3
133.06493	1.8
133.10144	9.1
135.08055	7.3
142.07774	1.3
143.07043	16.9
143.08630	5.0
145.04958	3.0
145.10136	3.6
147.08040	1.3
147.11687	2.3
149.09604	2.2
153.09055	1.0
157.10120	2.9
158.09204	1.3
161.09615	10.5
163.07559	2.7
163.11270	1.2
165.09143	6.8
173.09705	1.5
175.11273	3.2
179.10693	4.1
191.10718	1.3
193.12328	1.3
203.10645	3.7
209.11890	1.1
221.11731	100.0
222.12091	3.6
231.07408	1.0
238.18098	1.3
239.12776	19.9
257.13925	1.5
265.78146	0.9
274.20117	3.2
322.18588	2.6
419.20010	1.3
436.07867	1.9
436.13400	1.8
436.24435	7.9
437.20929	5.3
463.72748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05507	1.0
56.05025	1.1
58.06599	1.1
69.07064	3.2
70.06609	1.8
72.08151	5.9
74.06074	4.1
75.05595	0.6
79.05486	0.6
83.23567	0.3
84.04489	0.5
84.08143	2.0
86.09702	49.1
87.05572	0.4
89.25810	0.3
91.05464	0.6
93.06993	0.5
98.06044	1.1
101.07141	2.2
103.05493	0.4
107.04956	3.0
110.09660	0.6
112.11254	1.1
113.07131	4.5
115.05455	2.3
119.04932	0.7
119.08537	0.4
120.05717	2.4
120.08089	4.8
121.02864	1.4
127.08687	0.7
131.04922	0.4
131.08153	2.7
143.04919	4.3
143.11806	1.8
144.05722	2.7
146.48889	0.4
147.07993	0.3
155.11780	15.8
159.07645	3.6
161.06085	0.5
162.09114	2.0
165.06985	0.4
166.08701	0.9
167.08562	0.5
167.19443	0.3
170.06044	1.0
171.04401	6.7
171.05754	0.4
171.11458	0.5
172.14447	7.6
179.08566	0.8
180.04198	0.5
181.06491	0.6
181.10117	1.0
187.03787	0.4
189.06914	0.7
190.07826	0.6
191.08537	4.2
194.07295	1.3
195.06505	2.1
195.08018	0.9
198.12321	2.0
201.06943	0.5
207.08040	2.3
209.09554	2.5
210.14919	0.4
217.06462	0.7
218.07294	1.0
219.08029	10.5
220.08687	0.4
223.07556	2.0
226.08614	9.9
227.08914	0.4
227.13887	0.9
229.07594	1.7
234.09146	0.7
235.07547	5.2
237.09088	9.6
244.16615	0.9
245.05920	0.4
247.07503	11.9
248.08156	0.8
250.06259	0.6
262.08688	0.9
263.06995	8.2
264.07520	0.6
265.08582	27.8
266.08939	1.2
272.07001	1.2
272.16058	3.4
273.07791	0.5
279.17056	2.1
284.06409	1.2
285.06653	0.8
286.06793	1.6
290.08044	2.5
291.06491	8.0
314.07178	0.6
316.07965	1.1
322.14407	0.6
336.15863	1.2
338.07397	0.6
340.07935	1.0
347.13910	0.8
348.12292	11.3
349.12634	0.6
353.01740	0.4
370.09009	1.1
382.09030	0.9
418.21051	0.9
419.19678	0.8
436.22293	100.0
437.22507	8.1
437.27847	0.7
444.56015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05507	2.7
56.05038	0.6
58.06590	0.9
60.35009	0.4
69.03423	0.5
69.07063	0.5
70.06589	3.2
72.08150	6.5
79.05492	0.9
81.07047	0.5
84.08136	2.8
85.02908	0.5
86.09701	2.4
91.05485	1.0
94.98135	0.5
95.08639	0.4
98.06055	7.6
98.06646	0.7
98.09682	0.7
101.07137	0.8
107.04967	3.0
107.08556	0.7
110.09756	0.5
112.11256	1.3
113.07121	5.3
115.05461	1.8
115.08686	0.7
117.06970	0.5
119.04960	0.9
119.08563	0.5
119.48930	0.5
119.72906	0.4
120.05714	2.6
120.08115	0.7
121.02900	1.1
127.08689	1.8
129.13937	0.5
143.04929	3.7
144.05751	2.0
145.06482	1.4
147.04411	0.6
153.10236	0.9
155.11787	11.8
161.06039	0.5
171.04395	5.2
172.14400	3.1
176.10748	1.0
179.08405	0.6
181.06432	0.6
181.10114	0.5
190.07758	0.6
191.08560	4.3
194.07343	1.0
195.08070	0.6
198.12398	4.3
201.07094	0.9
202.07771	0.4
207.08052	1.6
209.09637	2.1
218.07248	1.1
219.08063	10.4
220.08627	0.7
223.07503	1.8
225.08904	0.6
227.11725	0.9
229.07619	1.3
235.07510	3.5
237.09094	7.8
239.10681	1.5
239.16388	0.6
244.09721	1.2
247.07547	11.3
250.06265	0.7
263.07047	4.8
264.10181	0.8
265.08603	22.2
266.09036	1.2
273.06555	0.5
290.08130	1.0
291.06451	7.1
315.13504	0.8
320.12946	1.0
322.14383	20.1
323.14771	1.1
348.12296	6.8
418.21185	0.6
419.19565	2.6
436.22327	100.0
437.22647	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	436.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.4
57.03456	0.5
61.56808	0.3
67.05504	0.7
69.07044	0.4
70.06593	1.1
74.06085	9.2
79.05506	0.4
81.07067	0.5
86.09708	100.0
87.10052	1.4
91.05454	0.7
95.08626	0.4
98.06056	1.5
98.95297	0.3
99.05565	0.5
103.05471	1.7
116.07117	1.3
119.08568	0.4
120.08108	58.5
120.98392	0.3
121.06503	2.0
121.08449	1.1
126.05518	7.1
131.04895	1.0
135.08134	0.7
139.12309	0.9
141.13858	0.5
144.06531	0.5
154.52293	0.3
163.07504	2.0
180.10197	46.2
181.10524	0.7
182.74118	0.4
188.80022	0.4
195.11293	4.4
211.14404	1.9
229.15334	0.4
233.16422	0.7
239.13908	16.0
239.16383	0.8
240.14148	0.8
241.45944	0.4
257.14932	1.6
293.18579	12.3
294.19086	0.6
374.20609	1.9
436.27036	0.7
437.21515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05501	0.7
56.05026	1.4
57.03429	1.1
58.06600	2.2
61.02900	0.6
62.67935	0.4
67.05496	1.7
69.03429	3.7
69.07059	0.9
69.52560	1.0
69.52959	0.9
70.06233	0.6
70.06592	8.1
71.04997	0.5
71.06910	0.5
72.04507	0.5
72.08153	3.1
73.02892	0.5
74.06068	1.9
79.05473	1.3
81.03407	1.3
81.07045	1.8
82.06593	0.8
83.08595	0.5
84.04527	2.2
84.08146	6.5
85.02895	5.7
85.06543	0.5
86.06026	0.5
86.09701	3.5
87.04453	0.9
87.05582	0.4
87.10046	0.7
91.05461	1.3
93.07025	1.7
94.06544	0.6
95.04956	0.8
95.08603	1.7
95.55976	0.4
96.08120	1.2
97.02890	2.4
97.06505	1.3
98.23414	0.5
99.04415	0.8
105.07053	0.7
106.06557	0.5
107.04942	0.5
107.08588	1.9
109.02884	1.0
109.10142	0.7
110.07166	0.9
112.07616	0.5
115.08670	0.6
119.08604	1.2
120.08116	3.9
120.75928	0.4
121.06450	0.6
121.08465	0.4
121.10118	0.9
122.09601	0.5
123.08066	0.8
124.07575	2.1
127.03918	0.7
128.10713	0.5
129.10257	2.6
131.08537	0.9
133.10123	1.2
135.08015	0.5
135.11678	1.1
136.07574	0.9
137.09544	0.5
140.07060	0.5
149.09645	0.5
149.13312	0.5
151.11090	0.5
154.12247	0.6
157.09790	0.4
166.73357	0.4
175.12065	0.5
179.10712	0.6
181.11961	0.4
191.10550	0.5
193.12230	0.4
194.15393	2.0
203.10529	0.8
212.16463	4.0
220.16997	4.3
221.11833	0.9
236.12747	0.8
238.17999	17.8
239.12772	1.3
239.18465	0.6
256.19073	6.8
257.13943	1.0
274.20111	100.0
275.20474	3.9
289.02090	0.4
321.15411	0.4
332.70288	0.4
418.24365	0.4
435.76752	0.4
436.19690	9.3
436.25375	52.7
437.08228	0.5
437.19824	1.3
437.25415	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	436.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05514	2.4
56.45815	0.9
57.07075	1.2
61.02927	1.2
65.97536	1.1
67.05501	1.4
69.03427	2.5
69.07076	3.3
69.32790	5.6
70.06602	1.4
79.05487	7.4
81.07059	5.5
83.08601	1.0
85.02910	4.6
86.09676	1.3
91.05486	9.9
93.07047	13.6
95.04988	1.7
95.08616	3.6
97.02927	1.8
99.08103	1.4
103.05476	1.3
105.07027	27.2
107.04980	1.6
107.08596	49.7
108.08937	1.2
109.02937	1.1
109.06521	2.4
109.10164	1.4
117.07013	1.3
119.08582	46.1
121.10137	29.5
122.10466	1.0
123.08067	3.5
127.94717	1.0
131.08571	1.7
133.06506	11.0
133.07626	3.0
133.10107	5.2
135.11694	1.8
137.06046	2.3
145.10129	1.9
147.04254	0.9
147.08084	5.2
147.11693	2.8
150.93584	1.2
150.95924	1.1
151.07541	23.2
156.09357	1.5
159.11612	1.6
161.09637	1.4
161.13258	57.2
162.13588	2.1
163.14828	1.2
165.09119	39.3
167.23695	1.0
171.11671	1.9
179.10674	4.5
179.14296	10.1
189.12756	16.2
207.13802	100.0
208.14165	2.5
211.10445	1.2
221.15372	59.1
222.15721	2.0
239.16417	53.9
240.16669	1.5
265.08594	2.5
303.86700	1.1
436.21964	7.4
436.27121	3.6
437.21371	3.3
437.27069	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	437.2396
Annotation	HC-toxin
Peak:m/z	Relative Intensity
56.05037	1.1
57.05809	0.2
58.06609	0.2
69.07069	5.6
70.06578	1.1
70.51788	0.3
72.08154	0.5
74.06081	7.5
75.05594	0.8
84.04506	0.4
86.06075	0.6
86.09708	100.0
87.05583	0.2
87.10030	0.9
103.05469	0.3
103.08726	0.3
104.17620	0.2
113.07116	1.1
115.05067	0.3
119.04942	0.4
120.08109	6.4
121.02869	0.2
131.08168	4.0
143.04918	0.2
143.11797	3.1
147.04396	1.3
155.11794	0.7
156.12134	0.2
159.07655	6.9
166.08636	2.2
171.04419	0.3
171.11317	0.8
172.14430	0.2
204.10275	0.4
219.08157	0.2
220.08374	0.3
226.15514	0.2
227.09032	0.2
227.13916	2.2
237.09021	0.3
238.09442	0.4
244.16551	1.9
247.07541	0.2
248.07875	0.5
254.15053	0.2
264.07556	0.3
265.08618	0.5
266.08984	0.6
272.16049	9.4
273.16336	0.3
279.17023	4.8
280.17325	0.2
292.19946	0.2
309.27368	0.2
310.34348	0.2
336.19009	0.3
349.12921	0.4
356.03024	0.2
419.22620	0.3
437.22598	6.2
438.23816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.267
Annotation	lysophosphatidic acid
Peak:m/z	Relative Intensity
50.74226	1.4
50.88924	1.3
55.05515	24.4
57.03445	11.8
57.07081	13.2
67.05506	18.5
68.05836	1.7
69.07070	35.4
69.16737	1.5
70.62345	2.6
71.04963	1.4
71.08633	7.8
72.08179	1.6
72.67642	1.5
78.85345	1.4
79.05470	8.2
80.36172	1.7
81.07059	25.8
82.07406	1.6
83.08619	23.8
85.10192	3.4
86.43034	1.7
89.06032	19.5
91.80537	1.4
93.07047	9.8
95.08603	23.7
97.06533	4.9
97.10172	18.2
98.97826	3.5
98.98470	60.3
107.08594	7.9
109.10164	9.8
109.10837	1.8
111.08076	3.0
111.11736	2.5
121.10181	11.3
123.11709	3.5
133.08650	8.0
135.11694	9.4
141.62282	1.5
149.13263	3.8
155.01048	46.7
155.02289	2.3
163.14796	2.0
165.16467	1.4
173.02133	3.8
177.11140	2.0
195.12271	1.6
239.14954	11.5
247.24272	5.2
265.25296	17.0
339.28943	100.0
340.29211	5.4
412.36923	1.8
414.28735	1.6
417.10858	1.6
437.19339	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26474	1.4
51.27060	1.5
53.03918	2.4
54.75239	1.4
55.01865	3.0
55.05512	1.8
57.03439	2.5
61.02908	1.9
65.85954	1.7
69.03423	6.9
69.07072	4.8
70.06585	3.4
71.08631	49.8
72.08149	3.7
73.02904	2.3
79.05489	1.8
81.03411	5.5
81.07051	3.7
82.69329	1.8
85.02896	19.1
87.00828	6.3
89.46425	1.7
91.05485	2.0
95.08648	2.2
97.02892	10.2
99.04461	1.9
99.08093	100.0
105.01863	6.0
105.06998	2.1
107.08579	2.0
109.02898	4.3
117.01813	1.4
120.08128	2.7
127.03939	10.6
129.12738	13.3
129.56682	1.4
145.04977	5.8
147.04411	8.3
155.14395	2.1
156.48480	1.5
159.02937	3.7
173.15372	78.6
204.10191	4.0
295.31747	1.5
438.22592	10.8
439.23059	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	438.2393
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
50.93919	0.3
56.05046	0.3
57.02185	0.3
58.06589	0.5
65.03936	0.7
69.55298	0.4
69.55627	1.3
70.06584	0.8
72.07793	0.5
72.08156	6.8
74.00663	0.4
75.09233	0.4
79.05484	0.3
84.08138	1.4
86.09703	0.8
91.05480	6.8
98.23495	0.4
108.08095	0.5
110.95770	0.3
112.11243	3.6
119.04944	19.4
119.63714	0.3
120.08095	0.8
129.13890	1.8
136.06165	0.6
136.07564	0.6
138.16254	0.3
146.16521	1.6
147.04404	100.0
148.04768	1.8
148.07480	0.4
152.07040	0.4
155.11835	0.8
166.08548	0.5
203.11789	0.9
204.10194	40.3
205.10544	0.7
206.06656	0.4
218.11757	4.4
221.12880	0.9
229.13383	2.0
235.14487	0.4
241.14536	0.4
248.46571	0.3
271.14423	0.6
274.19125	0.4
275.17474	3.7
289.15372	3.2
291.08295	0.6
292.20187	9.0
299.13876	0.3
307.06006	0.6
315.58975	0.3
317.14905	1.2
318.18253	0.4
325.07169	0.9
364.64868	0.3
415.74219	0.3
420.17868	0.3
420.23026	1.0
421.09515	0.8
421.21255	1.0
438.23856	66.4
439.10379	1.5
439.24292	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	438.239
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51265	1.2
65.03938	1.5
69.91364	1.9
72.08156	10.5
84.08160	1.8
91.05475	7.3
93.84280	1.1
107.94906	1.1
112.11242	3.2
119.04936	17.9
129.13884	2.6
136.07584	1.2
146.16495	1.4
147.04405	100.0
148.04767	2.3
152.07066	1.7
159.89197	1.1
164.28304	1.1
204.10187	35.5
218.11804	3.6
221.12929	1.3
229.13397	3.3
257.44025	1.0
271.14487	1.9
275.17557	4.1
289.15576	6.7
292.20203	12.9
377.46390	1.4
388.76703	1.1
438.23843	73.3
439.15729	28.8
439.24118	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	438.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81904	0.5
63.67487	0.6
63.83283	0.6
69.07062	1.2
70.06575	0.8
70.10017	0.6
70.20299	0.7
70.20607	1.0
75.59034	0.6
79.05495	1.4
81.07050	1.8
84.08179	0.7
85.02893	1.2
91.05491	3.9
95.04971	1.2
95.08603	0.7
98.23363	0.7
105.07021	1.6
106.04166	0.8
107.04947	5.9
108.05733	2.3
109.06522	1.3
118.74390	0.6
119.04939	0.9
119.08556	0.7
121.06496	2.4
123.11709	0.9
133.06465	1.4
135.04413	2.4
135.08072	1.2
136.05257	4.0
137.05943	2.8
138.06760	1.4
146.07233	1.2
147.04414	1.5
147.08049	1.8
147.11696	1.2
148.05182	6.3
150.06761	0.9
151.07542	100.0
152.07928	1.8
153.09032	0.6
159.08089	1.0
161.05980	2.7
162.06747	0.7
163.07512	3.9
164.08356	0.6
165.09164	3.7
166.06264	9.7
167.07001	1.7
172.08775	0.9
173.09717	1.0
174.06766	0.9
175.07545	1.7
176.08298	1.8
177.09106	8.4
179.07040	1.0
179.10646	1.6
180.07698	0.7
181.08597	56.0
182.09074	0.8
183.13814	1.8
186.10435	0.8
187.07584	1.0
188.08328	1.6
189.09135	4.0
190.09839	1.3
191.10683	5.5
193.08636	3.0
195.10136	2.0
201.09109	1.2
202.09827	3.0
203.10651	5.0
205.08620	1.2
206.09319	1.0
207.10188	2.9
209.11568	1.0
215.16539	1.2
216.11438	1.9
217.12247	4.3
219.10074	1.0
221.11739	2.6
233.11707	2.0
247.13315	2.6
251.12805	1.1
265.14426	0.6
311.04623	0.6
339.15906	0.8
353.17508	2.0
354.18271	2.8
370.17734	10.1
385.20096	25.3
386.20291	1.7
403.21182	12.0
404.21066	0.6
438.23190	1.2
438.28677	0.7
439.22122	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26238	0.5
56.05034	1.7
58.06599	100.0
59.06936	0.8
68.16114	0.7
69.53257	2.7
70.06586	0.8
72.08147	0.8
79.05537	0.9
79.10685	0.6
84.04500	2.9
88.07645	0.9
96.42787	0.6
97.94403	0.5
104.99306	0.8
109.53081	0.6
118.08643	3.1
128.10750	1.0
129.06589	0.9
130.05031	3.6
147.07739	1.4
164.74866	0.7
168.78009	0.6
295.85840	0.6
323.08667	0.8
363.19009	2.6
421.23346	1.0
438.25970	55.7
439.15720	1.6
439.26495	4.4
463.87436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71627	1.4
57.07077	70.5
69.07062	8.3
70.19376	1.4
70.63184	2.1
71.08633	65.9
73.06552	2.5
82.56809	1.7
85.10184	40.8
89.06030	100.0
99.11727	4.9
111.11703	3.3
112.76373	1.5
113.13278	5.5
130.08653	1.9
133.08606	63.2
147.04430	5.5
151.09637	4.3
161.85532	1.5
167.67264	1.5
177.11209	15.3
195.12331	4.2
204.10196	2.9
221.13881	2.0
239.14885	58.7
271.26361	1.7
387.15256	1.6
421.35223	52.6
422.35370	2.0
438.19189	4.3
438.24561	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	439.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71255	1.0
55.15084	1.1
57.37419	1.0
57.98812	3.4
58.06620	1.4
58.15111	1.1
58.99585	77.4
70.06590	5.9
72.08144	4.5
74.64852	1.1
75.02699	1.5
75.09245	1.2
85.01130	3.7
86.99052	81.4
91.05476	6.7
92.05815	1.4
94.06560	3.9
98.23488	3.1
98.97625	1.5
103.02167	1.1
105.00087	100.0
106.06550	6.4
107.07327	3.2
108.08094	6.8
110.06059	7.2
111.60509	1.2
112.11227	2.1
119.04948	10.9
120.05270	4.4
120.08148	2.8
122.06015	1.8
124.07606	2.5
129.13828	1.4
134.05984	5.3
135.06773	3.4
136.07588	7.1
146.09752	1.3
147.04405	66.4
147.09071	1.5
148.04736	28.0
148.07559	21.7
149.02699	3.0
152.07050	10.1
158.09660	4.2
160.11185	3.2
166.08633	23.4
168.27786	1.0
169.05652	1.1
172.07539	1.3
172.11177	1.8
172.81931	1.4
173.10762	1.4
174.09164	3.6
175.12291	4.5
184.11203	3.6
186.09131	2.9
186.11441	1.5
188.10661	2.1
193.09856	1.2
198.09129	1.5
199.08614	2.1
200.10909	1.6
201.10196	2.8
201.13863	3.5
203.11772	18.0
204.10201	24.0
204.11972	1.4
205.10547	16.7
211.12274	1.1
212.10747	4.8
213.10297	1.8
214.10912	7.4
215.11807	2.0
216.12593	3.5
217.13254	1.5
218.11790	4.2
226.12332	6.6
227.11740	2.6
228.12392	1.3
229.13348	67.6
229.15277	3.0
230.13655	3.0
231.11305	1.7
242.10484	1.5
243.14928	2.5
244.13324	2.5
245.12843	13.5
246.11226	2.0
257.12860	15.3
263.13895	29.6
264.14206	1.5
271.14407	25.7
271.17316	1.2
272.14847	1.6
273.12253	3.1
273.15118	1.2
289.15451	59.4
290.15869	2.9
291.13394	8.0
292.20151	4.4
293.20526	4.4
299.14014	7.7
301.09454	1.1
317.14957	11.0
379.12915	1.5
393.14645	10.0
411.15817	45.4
412.16156	1.9
421.14355	18.6
437.82864	1.2
438.23715	7.6
439.15240	29.5
439.24078	48.0
440.15369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1536
Annotation	Ptychantol C
Peak:m/z	Relative Intensity
56.65658	0.7
57.98796	3.0
58.99586	79.5
64.93488	0.8
65.03927	0.8
68.46729	0.7
69.03444	0.7
69.07070	1.8
69.27753	4.2
72.08183	0.8
82.06599	0.8
85.01147	3.1
86.09676	0.9
86.99052	83.8
91.05473	1.7
92.05780	0.8
94.06582	3.2
98.09684	1.4
100.11271	0.9
105.00087	100.0
106.06549	6.6
107.07343	3.2
108.08107	6.8
110.06037	8.1
114.09193	0.9
119.04935	1.6
120.05289	0.7
120.08130	3.3
122.06091	0.8
124.07609	3.0
126.98000	0.7
131.01695	1.2
132.08055	1.2
133.07648	1.1
134.06004	5.7
134.09708	1.4
135.06775	5.2
136.07582	7.0
142.12308	1.2
144.08031	1.0
145.08890	0.9
146.09596	1.2
147.04395	14.1
148.04805	4.9
148.07570	22.7
149.02695	1.8
149.08110	0.7
152.07059	11.2
158.09596	3.9
159.09212	1.1
159.10394	1.0
160.07628	0.9
160.11281	3.4
166.08624	26.1
168.08157	0.9
170.11710	0.9
173.10756	1.5
174.09184	3.5
175.08670	1.2
175.12314	3.5
182.15356	1.2
184.11221	3.8
185.10680	1.4
186.09158	2.7
186.11409	1.4
186.12860	1.3
187.08749	1.2
188.10706	1.8
198.14961	1.2
199.08429	1.1
199.10011	1.6
200.10829	1.8
201.10281	4.4
201.13846	4.4
202.12444	0.9
203.11794	18.3
204.10248	6.4
205.10533	2.9
210.14967	1.7
212.10753	4.2
213.10274	2.3
214.10939	5.6
215.11780	2.2
216.10445	1.4
216.12645	3.1
217.10959	2.2
217.13385	2.3
218.11790	3.0
226.12247	7.5
227.11823	1.4
228.10292	1.0
228.12569	1.3
229.09723	2.5
229.13351	71.9
230.13799	2.1
231.11172	1.6
242.10661	1.0
243.14983	2.9
244.13409	2.0
245.12840	16.1
246.11201	1.8
254.11749	1.4
255.14960	1.3
257.12833	13.8
263.13901	29.5
264.14136	1.0
271.14401	28.3
272.12631	1.3
273.12390	2.7
274.13171	2.0
288.25143	0.9
289.15451	64.1
290.15924	3.2
291.13370	10.6
299.13879	9.8
317.14969	11.4
337.21121	1.3
341.72882	0.9
393.14856	9.7
396.28531	2.1
411.15829	52.1
412.16153	2.8
421.14206	20.5
422.14682	1.3
438.24142	1.1
439.15353	41.1
439.24014	10.1
440.15796	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1537
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
57.98817	3.1
58.99585	81.3
69.07073	2.7
70.89756	2.6
75.02706	2.2
79.05517	3.2
85.01130	3.2
85.02911	3.0
86.99050	90.8
91.05508	2.0
94.06567	3.6
98.97573	2.2
104.99401	3.8
105.00086	100.0
106.06544	9.1
107.07346	4.6
108.08117	13.4
110.06043	14.6
115.03971	3.3
119.04983	4.0
120.05327	2.7
120.08109	3.5
122.06074	1.8
124.07621	4.7
133.05003	4.0
134.05995	9.2
135.06828	2.6
136.07591	11.4
147.04408	32.5
148.04739	10.8
148.07567	30.4
149.02695	4.8
152.07051	16.9
158.09697	4.6
160.11237	4.4
166.08621	33.0
174.09131	4.8
175.12395	6.1
184.11238	5.8
186.09146	2.4
186.12953	2.4
188.10765	2.6
200.10733	3.5
201.13869	2.6
203.11781	23.4
204.10254	9.7
205.10573	5.4
212.10797	5.1
214.11046	7.4
216.12579	4.2
217.11044	2.7
217.13234	2.0
218.11871	2.4
226.12256	10.7
227.11786	2.5
228.10266	1.9
229.13336	80.8
230.13710	3.2
231.11415	3.1
245.12810	12.2
254.11826	2.9
257.12772	13.4
263.13867	28.1
271.14410	26.1
273.12390	4.6
289.15439	89.0
290.15765	4.1
291.13293	11.6
299.13913	11.2
317.14920	28.2
393.14920	6.6
411.15784	44.3
412.16348	2.7
421.14243	18.3
438.23862	5.9
439.15326	59.1
439.24167	21.3
440.15573	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	439.1577
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
52.70956	0.8
58.32187	0.8
60.56513	0.8
70.15272	1.3
72.08144	1.6
73.82697	0.9
91.05460	1.2
117.48043	0.9
119.04955	2.8
120.05265	1.0
135.27122	0.8
138.94893	0.8
147.04402	11.9
148.04756	4.7
159.05316	0.9
204.10220	3.5
205.10501	3.3
292.20145	1.0
303.22137	0.8
438.23807	2.3
439.15747	100.0
439.23782	5.8
440.16098	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	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
51.04655	0.3
67.05482	0.3
70.01312	0.6
70.01651	0.3
70.51748	0.3
81.07055	0.3
110.07230	0.3
113.02094	0.3
133.02325	0.3
135.95724	0.3
147.94833	0.3
171.72476	0.3
201.03789	0.3
203.05313	1.6
215.20331	0.3
220.64015	0.3
259.16687	0.6
261.18365	0.7
263.16510	0.4
277.17575	0.4
280.86087	0.3
367.17279	4.5
439.23038	100.0
440.23422	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	439.267
Annotation	Briarellin Q
Peak:m/z	Relative Intensity
50.69521	0.2
52.43667	0.2
67.05507	0.2
69.72928	1.0
70.69615	0.2
70.79459	0.3
81.07062	0.4
92.10702	0.2
98.34486	0.3
119.08589	0.2
140.00473	0.2
169.04726	0.4
269.13632	0.9
439.26697	100.0
440.27005	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
53.57117	2.5
55.01860	7.4
55.05516	20.5
57.03428	10.1
57.07079	5.1
59.14172	2.2
61.02924	19.3
65.03931	3.0
67.05504	44.6
69.03429	41.9
69.07064	19.4
71.01379	3.0
71.04977	10.2
71.08606	2.2
71.44839	2.9
71.45238	3.0
73.02898	7.0
77.03921	3.0
79.05042	4.1
79.05489	64.1
81.03428	19.9
81.07053	48.1
83.04972	4.9
83.08612	9.3
85.02906	76.5
85.06530	3.5
87.04459	4.5
91.03963	6.2
91.05482	47.2
93.07044	89.0
94.07351	2.6
95.04961	11.0
95.08600	34.6
97.02892	37.0
97.06534	9.5
97.10145	4.1
99.04453	8.6
103.03908	3.4
105.07027	38.9
107.04943	5.1
107.07915	3.8
107.08598	47.0
109.02890	8.8
109.06513	5.8
109.10156	13.2
111.08036	4.2
113.06049	2.4
113.56391	2.1
117.07012	13.7
119.08582	27.5
121.06484	2.4
121.10144	43.5
123.08105	2.9
123.11658	4.1
127.03922	17.8
129.06996	10.7
131.08571	20.1
133.06454	4.4
133.10139	28.6
135.08073	3.1
135.11697	39.7
136.11963	2.6
139.07530	2.7
141.06999	3.1
142.07661	3.3
143.08577	12.1
145.04979	14.1
145.06406	3.0
145.10132	16.7
147.11613	12.3
149.02316	2.9
149.13287	18.2
155.08549	2.3
157.10129	9.4
159.08087	4.6
159.11685	14.4
161.13226	9.4
163.11234	3.0
163.14803	6.6
169.10103	7.2
171.08058	3.1
171.11705	11.6
173.09528	4.3
173.13260	6.9
175.11168	3.2
177.12775	3.1
181.08517	3.1
183.11653	3.0
185.13309	5.3
193.04932	3.2
194.05316	5.2
195.11743	2.6
196.52463	3.1
199.14705	4.8
202.44890	2.6
219.13751	2.6
221.15384	5.8
231.17442	3.3
235.16946	10.2
254.95207	2.3
259.20541	8.8
274.97528	2.7
275.20059	10.8
277.21631	100.0
278.22003	5.6
287.20151	3.9
289.21646	10.6
291.23181	4.5
291.80850	2.4
301.21625	10.5
313.21710	5.3
317.21182	2.5
332.16858	2.3
349.21686	3.0
367.22491	8.6
385.23657	8.6
386.23822	2.5
403.24896	13.3
421.25745	8.6
439.26743	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	440.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64212	0.2
53.03947	0.2
55.70861	0.2
65.95840	0.3
69.03439	0.3
70.06570	0.8
70.51903	0.5
70.52226	0.3
71.34293	0.2
72.08157	0.6
77.03930	0.6
78.04712	2.1
79.05493	3.3
81.03428	0.2
81.07048	0.7
85.02907	0.3
86.09687	1.1
91.05478	1.8
93.07044	0.4
95.04968	1.2
95.08624	0.4
96.08121	0.4
103.05459	3.7
105.04515	0.4
105.07031	4.0
106.04192	1.5
107.04255	0.4
107.04957	6.8
109.06514	0.5
115.05455	1.2
117.06991	1.0
119.04900	0.6
119.08601	0.4
121.06484	1.7
122.03638	0.6
123.04420	5.6
124.05236	2.4
125.05972	0.5
129.06975	0.7
131.04926	6.2
131.08575	1.0
133.06497	4.5
134.03587	0.6
135.08037	1.1
137.05977	2.6
141.06996	0.8
143.04907	0.5
143.06021	0.3
143.08510	0.5
144.05705	0.8
145.06490	2.0
145.10115	0.3
147.04390	1.4
147.07980	0.4
149.05994	0.5
151.03917	1.4
151.07550	3.5
152.04691	2.3
153.05400	0.6
156.10204	0.6
157.06467	0.5
158.07292	1.1
159.08049	1.5
160.05203	0.4
161.05981	6.0
161.07327	0.4
163.07544	12.6
164.07881	0.4
165.09097	0.6
167.07034	100.0
168.07387	2.2
169.06364	0.3
172.05194	0.3
173.05952	0.8
173.09605	0.8
175.07527	2.0
177.05463	0.3
177.09099	2.5
178.06332	0.4
179.07047	3.3
181.08585	3.6
187.07547	2.5
189.09070	0.6
191.07069	0.3
192.07784	0.6
193.08598	16.2
194.09073	0.3
195.10153	0.4
201.09100	1.6
203.08679	0.4
205.08563	1.5
207.10178	0.7
217.08670	0.8
219.10156	1.9
231.08038	0.6
233.09599	0.5
233.11700	3.0
235.11404	0.3
237.11197	2.4
248.08334	0.3
251.12820	1.1
251.81551	0.3
255.05759	0.3
263.10742	0.7
291.10074	0.7
295.13174	0.6
301.51520	0.3
309.10938	0.3
323.12799	2.2
324.13342	0.3
327.15634	0.4
355.15408	10.8
356.15775	0.7
387.18002	7.2
388.18332	0.4
396.69260	0.3
405.19028	9.5
406.19202	0.5
440.23752	0.8
441.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.4
55.05514	9.2
57.03436	15.5
59.04993	2.7
61.02928	12.3
61.39124	1.1
66.18266	1.2
67.05499	3.8
69.03065	1.9
69.03431	33.5
69.07069	54.1
70.42329	2.7
71.01359	4.0
71.04981	3.0
73.02920	78.3
78.05627	1.2
79.05499	3.3
81.03430	6.2
81.07050	4.8
83.04963	1.4
85.02905	100.0
85.06555	1.4
86.09724	5.8
87.04477	3.9
91.03965	2.9
91.05487	2.0
93.07033	2.8
95.04967	1.7
95.08616	2.0
97.02893	57.0
99.04465	3.6
103.03948	2.8
104.10786	1.3
105.07024	2.0
107.08611	1.9
109.02869	7.0
109.06548	1.7
111.04402	1.4
111.11729	22.2
115.03934	29.0
119.08616	1.5
121.10159	2.6
123.11682	1.7
125.12099	1.5
127.03918	32.2
128.23848	1.3
133.04964	35.4
133.05919	2.2
133.10110	1.8
145.04962	44.0
147.04370	2.6
150.07629	3.5
163.06013	22.3
163.14725	1.4
167.07091	1.5
184.07404	6.2
193.04996	2.5
199.06004	1.5
207.13834	2.5
217.07094	2.6
218.39120	1.3
221.24324	1.3
223.06021	6.9
225.14912	2.5
241.07031	10.1
243.15848	4.3
255.15988	2.0
259.08170	11.5
277.09244	2.0
278.14417	1.6
295.10233	3.8
440.23434	7.7
440.29941	2.2
441.24979	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61504	1.4
55.01869	2.4
55.05509	11.4
57.03437	20.0
57.52779	1.2
59.04990	5.4
60.04526	2.2
61.02918	3.6
67.05499	4.3
69.03429	80.1
69.07069	62.4
69.98105	2.6
69.98467	2.5
70.06570	1.3
71.08649	1.2
73.02907	3.4
73.74470	1.1
75.04457	1.8
75.35276	1.2
79.05489	2.8
81.03416	4.3
81.07048	3.2
83.04967	1.8
83.08563	1.2
85.02906	79.7
86.09728	2.0
87.04469	55.6
88.30872	1.3
91.03954	2.4
91.05478	2.9
93.07050	2.3
95.04974	1.7
95.08581	1.7
97.02896	73.3
97.06522	1.7
98.03271	1.6
99.04465	3.3
100.11268	1.3
103.03941	1.2
105.07040	2.1
109.02896	4.7
109.06544	1.9
109.10162	2.5
111.04454	2.3
111.11717	36.0
115.03932	100.0
116.04267	1.7
119.08578	2.0
123.04411	2.0
127.03914	12.4
133.04968	99.1
142.64835	1.2
145.04947	20.0
150.07599	13.1
153.12729	3.2
161.13220	1.3
163.06024	14.6
169.05013	3.1
184.07430	1.3
187.05986	1.2
205.07173	1.2
207.13806	4.1
210.96870	1.2
222.21748	1.1
223.06041	1.6
225.14825	1.4
235.50261	1.2
241.07019	3.2
243.15927	2.7
259.08109	4.9
277.09094	3.5
295.10248	4.3
373.23532	1.3
440.23328	23.9
441.24625	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.2
57.03424	18.6
57.11679	5.4
58.99578	14.3
67.05505	10.3
69.03429	69.5
69.07068	61.8
69.31705	23.0
69.32116	11.0
80.94817	6.3
85.02898	69.6
86.99072	11.9
87.04470	69.6
97.02888	70.6
98.97571	10.0
100.11286	12.4
105.00095	21.8
109.02885	7.2
111.11725	27.2
115.03934	100.0
127.03925	11.6
128.73618	6.2
133.04967	88.3
138.27539	6.2
145.04987	10.9
150.07620	20.4
153.12755	8.9
163.06067	11.6
195.73070	5.5
230.13742	13.5
243.15921	8.3
274.97473	21.4
289.15488	7.4
290.15619	14.3
292.98709	9.7
318.15225	6.7
381.45227	6.1
412.16321	7.4
414.44006	5.6
440.15533	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	440.2757
Annotation	Arg Lys His
Peak:m/z	Relative Intensity
52.54956	0.8
56.05034	1.7
58.06599	100.0
70.06594	1.6
81.07045	0.9
84.04494	3.6
88.07639	2.0
98.97560	1.2
110.09662	1.8
118.08671	2.9
119.08550	0.9
128.10718	10.5
129.06604	1.8
130.05006	3.8
146.06075	0.9
147.07645	1.3
199.13316	2.5
274.97421	1.4
308.94879	0.9
365.20782	1.9
397.73721	0.9
414.80164	0.9
422.14001	1.7
440.27542	58.0
441.27585	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	440.2758
Annotation	1-Dodecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05028	0.8
58.06594	1.2
66.35577	0.2
68.05016	0.4
69.07066	0.3
70.06581	1.3
70.47049	0.4
79.05479	0.5
81.07065	0.4
82.06580	1.5
84.08138	0.6
85.57352	0.2
93.07041	0.8
94.06542	0.4
95.07336	0.9
97.06530	2.5
108.08131	1.1
110.09679	12.0
111.10007	0.4
116.07048	0.2
128.10715	100.0
129.11069	1.3
148.16481	0.2
192.11157	0.2
259.89944	0.2
274.97543	0.2
387.32745	0.2
437.11841	0.2
440.16501	0.3
440.27570	8.3
441.27368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45822	2.4
57.03421	2.6
57.07075	18.7
59.04992	2.2
62.06090	23.9
64.69301	2.0
67.05511	3.8
68.42915	2.1
69.07059	5.0
70.61599	2.2
71.08630	12.9
81.07077	4.3
85.10187	9.4
95.08612	10.1
96.45209	2.3
98.98475	6.5
109.10199	5.4
155.01064	6.1
216.06288	3.2
224.58542	2.4
225.22130	2.7
268.26242	10.9
274.97476	3.0
299.25784	100.0
326.84970	2.6
379.22311	9.2
440.37143	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	20.6
58.06582	1.8
63.44038	0.7
65.46719	0.6
66.39255	0.6
69.83120	2.1
70.06564	0.9
71.96777	0.7
79.08478	0.8
82.95690	0.6
84.47205	0.7
84.96036	9.8
98.97579	82.5
103.05457	8.4
110.97564	39.1
112.99104	5.7
113.85828	0.7
116.98613	30.4
124.99133	1.8
126.97042	0.9
128.98601	35.7
131.00175	4.4
131.03984	1.3
131.04924	24.7
132.05202	1.0
134.99631	6.4
140.00148	0.8
140.98579	3.9
143.00150	7.1
144.98041	2.4
146.99643	14.6
149.01137	2.2
152.98573	1.2
158.99672	6.7
161.01215	7.4
163.07533	5.6
165.00693	1.3
170.99655	9.5
173.01251	0.7
177.00677	5.7
179.00183	1.2
179.02254	1.7
185.99870	1.4
189.00723	7.3
194.99625	2.5
195.01508	0.8
197.01204	0.9
201.00659	9.1
201.02359	1.1
204.00917	6.9
207.01788	1.4
213.00615	1.8
219.01744	72.5
220.02026	1.2
222.01982	13.1
223.02467	0.9
236.00029	1.0
237.02774	100.0
238.03117	1.5
240.03000	9.6
242.03375	2.0
251.02162	0.9
255.03426	5.1
258.04068	2.1
260.04236	1.8
261.02802	3.0
269.03207	0.8
279.03857	2.2
291.05490	1.1
297.06424	1.1
300.02982	4.5
303.05267	1.3
315.05399	1.8
318.04095	5.2
321.06500	1.6
333.06378	5.1
336.04941	0.9
348.05203	3.4
351.07657	0.9
363.07449	16.8
364.07581	0.8
366.06229	5.7
381.08521	27.7
382.08786	2.4
384.07150	1.1
399.09613	41.7
400.09784	2.2
417.48425	1.0
422.10889	1.2
439.21249	0.7
441.10605	51.5
441.15271	2.0
442.10794	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1524
Annotation	Pharacine
Peak:m/z	Relative Intensity
54.26827	1.0
56.75729	1.0
58.06599	5.9
65.01836	0.8
65.83730	0.9
70.06586	1.0
100.58733	1.1
137.66913	0.9
147.04445	1.3
441.15210	100.0
441.25198	2.8
442.15552	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	441.2101
Annotation	Garajonone
Peak:m/z	Relative Intensity
55.33144	0.3
67.05486	0.4
68.63794	0.3
69.03442	0.4
69.70663	0.3
70.06588	1.1
71.44900	0.3
72.08162	0.7
76.97466	0.3
85.76479	0.3
86.09712	0.8
91.05521	0.4
95.08609	0.7
114.09226	0.4
124.83900	0.3
137.09665	0.9
138.09964	0.8
165.09163	0.4
169.13411	0.3
203.05325	0.5
279.12143	1.5
279.15704	6.4
355.17245	0.6
423.20209	1.6
441.20346	100.0
441.25885	5.3
442.21072	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2252
Annotation	Val Trp His
Peak:m/z	Relative Intensity
54.15065	2.2
58.46568	2.2
69.45643	9.6
72.08140	2.5
81.07058	3.0
86.23486	2.3
89.61893	2.1
91.05519	2.3
98.23538	2.3
109.10221	2.4
120.26296	2.1
123.08087	2.8
165.09077	2.7
200.87598	2.2
222.42479	2.1
245.47791	2.6
302.81262	2.2
351.20404	2.8
441.22372	100.0
442.22275	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.5
66.29980	1.2
69.19830	1.2
69.69131	1.7
69.69480	4.1
72.08138	2.4
73.14559	1.1
81.07044	1.3
81.26799	1.2
86.09708	1.4
86.33229	1.2
93.07064	1.5
105.07002	2.2
107.08595	1.3
114.18527	1.1
117.17768	1.2
123.11752	1.3
131.02808	1.3
232.48953	1.2
238.20766	1.3
315.11072	1.5
367.18463	1.4
423.23645	1.7
441.24487	100.0
442.23605	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	441.2251
Annotation	Val Trp His
Peak:m/z	Relative Intensity
50.00546	2.1
52.90016	1.8
60.77748	1.8
61.17809	1.9
69.65646	6.8
72.08140	4.6
81.07034	3.2
86.09682	2.4
91.05436	2.6
95.08587	3.2
98.22748	4.4
99.08107	2.9
119.08604	2.1
123.11726	2.4
126.12727	2.5
133.44772	1.9
160.19708	2.1
191.76535	2.3
224.83734	2.0
275.23663	2.5
322.70135	2.4
441.16940	10.9
441.22446	100.0
441.32501	4.3
442.22559	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2465
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
53.32632	0.4
56.96564	1.0
60.53228	0.6
67.05505	0.6
69.07069	0.5
70.06588	0.7
79.05505	0.7
81.07063	1.2
85.02937	0.5
85.06605	0.5
86.09736	1.5
88.63664	0.4
93.07076	0.8
95.08627	0.9
98.09676	0.5
105.07076	1.4
107.08667	0.7
109.10160	0.5
110.09681	0.5
119.08611	0.9
125.06146	0.5
133.10123	0.7
143.08618	0.6
157.10146	0.7
165.09288	0.6
243.87758	0.4
271.12552	0.7
279.09467	1.0
297.10275	1.2
315.11395	1.0
423.23715	0.6
441.24689	100.0
442.25006	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50589	0.6
56.05033	1.5
58.06601	100.0
59.05590	0.6
64.84433	0.5
70.06585	0.8
70.81295	0.6
70.81635	0.8
71.83887	0.6
72.08163	0.7
73.05298	1.0
84.04498	0.9
88.07655	1.9
107.00787	0.6
118.08650	2.7
127.52715	0.6
130.05046	0.9
148.06134	1.2
171.11810	0.6
264.15732	0.6
441.25949	49.6
442.26321	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	441.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05509	11.3
56.05042	1.7
57.03434	2.4
57.07063	3.4
60.04521	1.1
67.05506	11.3
68.31284	0.9
69.03427	1.4
69.07066	15.3
69.49107	1.9
69.49487	3.1
70.06590	1.4
71.04976	1.8
71.08631	10.7
79.05489	11.8
81.07053	18.0
81.65973	0.9
83.04977	2.1
83.08629	6.5
85.06538	2.4
89.67751	1.1
91.05490	7.0
93.07045	10.7
95.08603	18.2
95.09205	1.3
96.08187	1.1
97.06526	3.5
97.10167	2.5
97.51964	1.0
97.88927	1.0
98.46661	0.9
98.98459	1.1
99.08096	8.5
105.07026	6.0
106.06556	9.9
107.08583	10.9
109.06517	8.9
109.10145	8.8
111.04470	1.7
111.08083	3.3
119.08593	8.8
121.06502	2.7
121.10123	7.7
123.08077	28.8
123.09196	9.6
123.11709	4.5
124.07594	12.0
125.00005	1.5
125.05959	2.4
125.09601	2.0
131.08582	2.7
133.10115	6.8
135.08060	7.3
135.11710	3.3
137.09622	1.9
137.13231	2.4
145.10121	3.5
147.11690	3.3
149.09621	3.1
149.13249	3.3
151.11160	1.2
153.12718	4.8
159.11720	3.4
161.13292	3.3
163.01566	1.4
163.11220	2.0
163.14839	2.7
165.10205	1.7
165.12764	1.2
167.14375	1.1
175.14809	1.6
176.51567	1.0
177.12778	2.0
179.14302	42.8
180.14705	1.2
191.14357	3.6
193.15932	2.4
195.13640	1.1
199.86537	1.0
205.15883	1.8
233.19144	1.6
247.20563	1.1
251.20058	7.3
275.20120	2.1
293.21054	9.2
293.28311	3.1
303.26828	11.5
313.25345	1.2
321.27930	1.8
331.23123	0.7
331.26288	42.2
332.26642	4.1
349.27353	48.2
350.27634	3.8
371.49933	1.0
405.29810	6.0
423.30978	100.0
423.35910	15.5
424.31396	8.6
441.25800	1.1
441.36902	27.3
442.37140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71220	0.5
53.03943	1.2
53.41253	0.4
55.01866	2.7
55.05515	3.9
57.03437	5.3
58.06596	2.2
59.04991	0.5
61.02928	8.4
67.05511	0.7
69.03430	17.7
69.07069	0.7
70.06590	12.3
70.18858	1.0
71.01312	0.5
71.04995	5.2
72.08158	6.9
73.02917	3.7
79.05503	0.9
81.03417	6.4
81.07050	1.4
83.04970	0.7
83.08622	4.5
84.08167	0.7
85.02907	100.0
86.03242	0.9
86.09708	5.9
87.04478	1.8
87.05582	0.5
91.03958	6.2
93.07027	1.1
95.08611	1.1
96.08109	0.8
97.02895	23.7
97.06527	0.8
99.04472	4.2
101.09650	1.7
103.03950	1.2
107.08598	0.6
109.02885	7.6
109.06552	0.6
110.09700	1.4
111.08100	1.6
113.09647	0.9
115.03918	1.1
116.07104	1.5
116.99645	0.5
121.06493	1.0
123.08022	0.5
127.03919	23.9
127.08678	1.3
129.09128	1.2
129.10204	0.8
130.75352	0.5
139.07541	2.4
141.09090	1.5
141.10179	0.8
145.04959	49.3
146.05302	0.9
148.60228	0.4
151.07555	0.7
155.10628	0.5
155.11902	0.5
163.06024	20.5
167.10623	1.3
169.08560	0.5
169.09836	0.5
170.11772	2.4
171.27782	0.5
179.10713	0.9
183.11375	0.7
186.12395	1.9
191.10628	1.0
197.11693	0.9
200.13947	2.0
209.11731	2.3
214.11864	1.5
215.13908	1.6
227.12787	2.0
228.13434	2.4
229.15480	4.5
245.13773	2.5
253.69447	0.5
263.14841	3.4
270.35938	0.5
289.09149	0.5
318.50085	0.5
325.11404	1.0
327.20352	1.4
392.15518	0.5
442.15814	1.7
442.27869	2.8
443.16586	0.6
469.98239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.6
58.06600	100.0
59.06945	0.7
60.15946	0.3
70.06599	1.0
73.05298	1.0
79.05498	0.3
84.08144	0.3
86.09688	0.5
88.07632	2.3
89.21496	0.3
92.75617	0.3
93.85571	0.3
110.17118	0.3
118.08670	1.7
121.06583	0.3
294.24289	1.0
310.23782	1.9
321.42023	0.3
347.00565	0.3
398.25305	2.8
442.24365	33.3
443.24728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98691	1.7
55.01871	1.5
55.05514	6.2
57.03437	17.9
57.07057	1.7
61.02922	9.1
66.23545	1.4
67.05505	2.7
69.03431	44.0
69.07056	1.9
70.06598	4.7
71.01337	1.4
71.05003	2.3
71.08633	11.6
73.02919	42.4
79.05513	2.1
81.03415	6.9
81.07059	3.5
82.06573	3.9
83.04974	3.4
83.08620	4.9
84.08138	2.1
85.02905	100.0
85.06544	5.8
86.09711	7.6
87.04485	11.3
88.11266	8.4
91.03959	3.3
93.07036	3.4
95.04969	2.8
97.02894	49.5
97.06526	1.9
98.09677	1.7
99.04449	4.6
100.07609	5.1
100.11259	20.0
105.07046	3.3
107.08608	1.7
109.02866	8.3
110.06064	2.1
111.04459	9.3
112.07609	3.0
115.03925	40.1
115.09985	1.4
125.09616	1.4
127.03918	25.9
127.04765	2.6
128.07088	7.5
128.10695	1.6
133.04974	23.5
135.08221	1.4
140.07072	2.3
145.03824	3.0
145.04962	49.4
145.06087	3.0
147.11777	1.5
150.07635	5.3
152.14323	2.1
156.13797	2.0
161.09686	1.7
163.06009	20.3
170.15395	43.9
171.15623	1.7
182.15416	22.5
193.35901	1.3
198.14891	31.8
206.46626	1.5
209.16507	3.4
210.14859	23.9
223.06030	2.0
227.17578	2.0
228.15973	5.9
241.07066	3.6
245.18594	10.5
259.08154	2.3
281.13699	5.3
293.19547	3.9
295.10129	2.6
297.25287	4.1
313.93057	1.5
314.27884	1.9
337.20984	9.7
355.22208	7.8
424.31763	22.9
425.32040	1.9
442.24866	11.5
442.32687	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01891	3.0
55.05270	1.4
55.05502	7.8
57.03440	26.7
57.07069	1.8
60.40359	0.9
61.02929	10.2
65.40034	1.0
67.05515	2.7
69.03432	34.2
69.07071	2.1
69.72111	3.2
70.06601	2.5
71.01372	1.9
71.04995	2.4
71.08633	8.3
73.02920	45.5
79.05507	1.1
81.03424	6.1
81.07058	2.7
82.06596	2.2
83.04985	2.1
83.08627	4.1
83.11544	1.2
84.08136	2.4
85.02908	100.0
85.06544	2.4
86.09702	5.7
87.04470	8.1
88.11272	7.6
91.03969	4.9
93.07046	2.0
97.02898	48.2
98.97620	1.0
99.04456	4.0
100.07638	3.8
100.11259	15.5
100.23177	1.0
105.07030	2.4
109.02872	7.9
110.06059	2.0
111.04423	5.1
112.07605	1.7
113.47807	0.9
115.03932	35.8
121.10173	1.4
126.09191	1.7
127.03919	32.3
128.07114	5.4
128.07893	1.1
131.08577	1.4
133.04974	18.5
140.07112	3.2
144.06775	1.1
145.04964	58.1
145.10121	1.3
147.11627	2.0
150.07634	3.0
163.06036	18.2
170.15425	32.7
182.15399	15.7
198.14906	23.3
209.16579	2.7
210.14893	19.9
223.06010	3.0
227.17720	1.4
228.15994	4.1
241.07047	3.6
245.18622	5.4
259.08282	3.0
281.13617	3.7
293.19604	4.5
295.10281	3.6
297.25406	3.2
336.22675	1.6
337.21262	5.1
355.22348	5.4
424.31686	19.2
442.25409	6.5
442.32761	25.6
443.32907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23239	1.2
58.84336	1.1
59.54825	1.1
62.98529	1.1
64.58366	1.0
67.16358	1.0
67.22565	1.2
67.78493	1.3
74.64848	1.2
75.93687	1.0
98.97592	6.9
116.98618	4.5
118.58559	1.3
125.01217	1.3
134.99632	1.7
147.97900	1.3
167.92209	1.2
171.71445	1.3
177.00948	1.6
216.99004	2.5
235.00078	4.9
240.98911	6.8
258.97079	1.6
258.99936	33.9
260.00095	5.9
261.00226	2.7
261.03156	4.0
262.03271	2.3
263.03024	3.2
264.98892	2.8
274.97781	1.6
276.97971	2.4
277.00977	27.3
278.01068	3.8
282.99985	83.1
284.00037	11.1
285.00281	1.8
299.09824	4.9
299.98184	1.8
300.10010	2.2
301.01031	100.0
301.09756	3.9
302.01111	14.5
303.01093	4.1
316.98999	3.1
318.98569	4.3
319.02252	4.9
324.02765	1.8
364.99078	1.4
383.00281	1.7
401.01068	5.6
402.01306	1.5
403.00693	1.5
407.00262	5.3
418.97858	9.4
419.97949	4.8
422.54874	1.4
425.01193	34.8
426.01172	8.0
443.02332	81.6
444.02454	12.8
460.99570	3.1
466.03781	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	443.168
Annotation	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
64.70013	2.6
70.06589	6.7
70.10334	5.2
72.95889	2.3
84.08121	2.5
94.93019	82.0
96.92848	2.7
98.22762	2.8
98.97580	2.6
124.93175	2.7
136.94011	12.0
161.02960	4.1
165.58055	2.1
166.95166	4.0
174.74924	2.1
182.94582	10.9
187.40132	2.1
190.89067	4.2
192.92999	3.0
194.94588	12.7
202.89192	5.5
206.88567	14.7
212.85226	8.6
232.90205	36.4
232.92346	8.9
248.89667	50.4
262.91223	5.2
281.15088	2.4
288.86768	2.6
298.95682	12.2
326.98367	2.1
330.89261	2.6
338.84323	2.8
442.84445	14.6
443.16815	100.0
444.01016	2.5
444.16971	7.7
445.99561	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	443.1685
Annotation	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
61.90969	2.4
69.61764	7.1
70.06243	2.6
70.06596	38.1
71.06924	3.6
72.08136	5.4
84.04489	3.4
84.08141	12.4
85.02887	3.1
86.09682	7.8
92.32785	2.4
98.97575	4.2
105.07000	3.0
110.07153	7.2
116.07054	13.0
117.07368	3.8
122.07143	7.0
123.07899	6.0
129.10197	8.2
131.07124	2.5
150.91362	2.6
178.02557	2.5
225.09792	3.9
239.12675	2.7
241.10266	2.7
254.13728	4.2
281.10413	4.5
299.13861	3.4
300.14014	7.4
328.85266	2.5
443.16495	100.0
443.26773	5.6
444.16724	7.0
444.29144	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56950	0.6
55.05570	0.7
55.10479	0.7
61.11851	0.7
64.03636	0.6
67.05584	1.5
69.03493	0.6
69.07131	1.4
70.06687	3.6
72.08258	2.2
81.07149	1.7
82.12706	0.6
84.08206	1.6
85.02995	0.7
85.06621	1.0
86.09821	6.3
87.10135	0.8
93.07128	1.1
95.08697	0.9
97.06626	0.8
100.61537	0.7
104.33999	0.7
105.07140	1.1
119.08671	0.9
120.08231	1.1
129.26086	0.6
131.08647	0.8
145.10204	1.1
184.07457	2.2
185.04338	0.7
185.07826	0.6
199.18321	0.6
246.05156	0.7
281.13605	100.0
282.14014	4.7
425.21201	1.1
443.18439	64.8
444.19055	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2044
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
51.76169	0.4
56.50170	0.5
59.00515	0.4
67.05499	0.5
68.41518	0.4
69.07082	0.6
69.48824	1.7
70.06568	0.5
72.08128	0.5
81.07065	1.2
86.09707	0.7
93.07035	0.6
98.23529	0.6
103.32570	0.5
107.08566	0.8
122.45475	0.5
126.69363	0.5
137.09669	0.7
138.05473	0.7
160.07492	0.6
165.09120	4.4
169.14087	0.6
186.26225	0.6
189.05307	1.1
235.25031	0.6
296.43701	0.5
394.97617	0.5
428.18054	1.2
443.20358	100.0
444.20880	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	444.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25145	10.7
58.06620	7.8
63.06541	9.0
69.20890	36.5
69.21301	20.3
80.81359	8.9
81.07104	13.0
83.04967	9.2
86.09697	9.1
93.07044	10.9
95.08610	9.5
98.23497	16.3
117.07027	28.2
119.08588	26.5
121.06503	23.6
123.08073	51.9
131.08592	15.2
147.08022	55.5
159.11635	10.0
163.07556	65.5
167.07062	13.6
173.05995	9.8
173.13254	22.3
191.07033	51.0
201.12750	23.4
247.13298	100.0
247.15689	13.7
445.18329	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12792	0.4
53.03943	1.9
55.01874	2.0
57.03440	4.8
59.05003	0.9
61.02927	7.7
69.03432	14.3
69.32661	2.2
69.62930	0.4
70.06592	1.8
71.01378	0.4
71.04977	2.2
72.08143	0.6
72.47279	0.4
72.73380	0.4
73.02927	4.1
74.75124	0.4
81.03423	5.8
81.41827	0.4
85.02908	100.0
86.03230	0.8
86.09731	3.0
87.04459	2.1
91.03961	5.8
97.02895	25.0
98.03273	0.5
98.09681	1.0
99.04459	4.6
101.02396	0.6
103.04000	0.8
106.33401	0.4
109.02885	8.2
115.03951	1.4
127.03920	24.5
129.10271	0.5
133.04939	0.4
145.04962	55.1
146.05325	0.8
163.06021	30.1
188.59196	0.4
265.16373	2.1
315.62628	0.4
325.11176	0.7
359.38882	0.5
375.58664	0.5
444.29712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1836
Annotation	Aglacin D
Peak:m/z	Relative Intensity
60.36799	0.3
69.67377	1.2
70.06586	0.8
72.08142	0.5
73.04752	0.4
75.55160	0.3
79.05497	0.6
83.60978	0.3
84.08125	0.3
86.09702	5.8
91.05466	0.4
95.08588	0.3
105.07048	0.3
117.07040	0.5
119.08578	0.5
120.08950	0.4
121.06411	0.4
123.08057	1.0
123.40472	0.4
124.08416	0.6
127.08321	0.3
128.10657	0.6
129.10202	0.5
135.08014	0.4
147.08051	0.9
148.08395	0.4
163.07558	1.1
164.07870	0.7
167.07047	0.3
173.11617	0.3
173.12845	1.6
174.13541	0.6
189.05276	0.8
191.06982	0.7
192.07404	0.9
201.12346	1.5
229.12155	0.4
245.18640	1.3
247.13341	1.1
248.13629	1.6
295.05930	0.3
314.20581	0.5
337.06866	0.3
427.10553	0.4
430.16034	0.4
445.18329	100.0
446.12888	0.4
446.18704	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	445.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
55.05520	2.0
56.05040	0.6
57.03440	0.4
57.05819	0.4
61.02924	2.5
65.03941	1.1
67.05494	0.8
68.99802	0.7
69.03443	0.4
69.07073	1.0
70.06591	1.4
70.14568	0.7
72.08154	33.2
73.02922	0.5
73.04760	0.4
77.03942	0.3
79.05496	0.8
81.03423	0.9
81.07045	0.3
83.01314	0.3
84.04501	3.6
84.08141	1.0
85.02899	1.1
86.06063	1.4
86.09705	22.7
87.10034	0.7
89.03929	0.2
91.03968	0.5
91.05424	1.4
93.03400	2.0
93.07030	0.2
95.04980	1.1
97.02882	0.8
98.09640	0.3
102.05541	1.8
103.05480	0.4
105.03382	1.2
105.07042	0.5
107.04964	2.0
109.02890	1.0
111.04440	1.1
114.05559	1.6
115.05482	0.5
116.07101	0.4
117.03364	0.8
117.07003	0.3
118.04191	0.3
119.04941	7.1
121.02864	31.9
121.06490	0.6
122.03223	0.8
123.04488	0.6
129.10220	0.6
130.04982	0.3
131.04935	1.1
131.89668	0.2
132.10196	0.4
133.02855	0.7
133.06493	0.4
134.03629	0.3
135.04405	1.4
137.02333	0.2
139.03882	0.4
141.06915	0.3
143.04924	0.4
143.11792	1.8
144.06554	2.6
145.02844	6.7
147.04417	1.7
148.06079	0.3
149.02390	0.9
149.05991	0.6
151.03911	0.9
152.04642	0.4
152.07123	0.3
153.01826	0.3
155.04880	0.3
157.02867	0.3
157.13373	1.1
159.04466	1.2
161.02353	2.1
161.05989	0.5
162.03114	0.4
162.07614	5.3
162.08983	0.4
163.03931	2.8
165.01859	0.7
165.05382	0.2
167.03355	0.7
169.06473	0.3
171.03055	0.2
171.04387	1.2
171.11246	0.4
173.02361	2.3
175.00429	0.3
175.03912	2.0
176.01044	4.3
176.02412	0.4
177.01805	2.2
177.05467	0.7
179.03378	3.1
180.04146	0.4
181.05005	1.7
183.04442	0.5
185.06003	0.4
185.09212	5.7
185.12834	1.5
185.16466	1.6
187.03886	2.3
188.04562	0.4
189.01819	13.8
189.05432	1.2
190.02551	2.9
191.03389	11.1
191.05153	0.5
192.03818	0.3
193.04930	0.6
194.02121	2.3
195.02873	1.8
195.08093	0.2
197.04422	0.6
197.06061	0.8
197.12790	0.4
199.03857	1.9
199.18022	0.5
201.01817	2.6
201.05508	1.0
201.08728	0.4
202.02591	0.9
202.07845	0.3
203.03389	4.0
203.13918	0.6
204.04036	0.3
205.04990	1.3
205.06650	0.3
207.02872	10.6
207.08075	0.3
208.03516	0.9
209.04396	1.4
211.03925	0.5
211.07503	0.3
213.01846	0.4
213.05470	0.5
213.15987	3.0
215.03419	1.8
215.07108	0.3
215.13921	1.3
216.04207	0.7
217.04921	3.3
218.01993	0.3
218.05476	0.3
219.02881	10.4
219.13446	0.5
220.03468	0.7
221.04373	2.2
225.03720	0.5
225.05495	0.8
227.03351	1.9
227.07002	0.4
227.17648	0.6
229.04967	0.8
231.02878	0.9
233.04373	1.6
233.14957	2.5
235.07811	0.3
237.05539	0.4
238.06209	0.4
239.03409	0.3
239.07057	1.1
241.04901	0.4
243.02951	1.5
243.06450	0.3
243.13385	2.1
245.04410	3.3
247.02441	0.3
249.03893	0.8
251.07037	1.0
252.07716	0.4
253.04932	1.4
253.08591	0.5
254.05717	0.4
255.02997	1.1
255.06325	0.5
256.07254	0.4
256.16550	4.4
257.16681	0.2
261.03986	0.9
261.14432	3.5
263.07272	1.6
266.05643	0.9
267.06531	2.9
268.07239	3.3
269.08014	0.9
270.05270	1.0
270.08920	0.3
271.05997	0.6
273.03918	2.6
279.06516	5.4
280.07242	5.2
281.04565	0.6
281.08041	7.4
282.08551	0.6
283.05969	4.1
283.21036	0.4
284.06766	3.4
284.16101	3.0
289.08478	0.4
291.06577	3.4
292.07257	1.1
293.04587	0.6
293.08014	3.5
294.05219	47.0
295.05963	24.0
295.09464	0.6
296.06607	4.3
297.07541	7.6
298.08310	2.2
299.05453	0.5
304.07254	1.2
305.07956	1.8
306.08942	0.4
307.06000	71.4
308.06662	16.3
308.10410	0.4
309.04132	0.6
309.07513	13.0
310.08066	1.5
312.06494	0.4
313.07047	6.9
314.07361	0.3
314.17160	0.6
317.08096	1.5
318.08890	0.6
319.06015	16.9
319.09195	0.7
320.06656	5.7
321.07532	11.4
322.08160	2.1
323.05557	0.5
323.09128	0.9
325.07050	30.7
326.07416	2.7
326.24268	0.7
326.47827	0.3
329.08047	0.6
331.06183	0.5
332.06747	0.5
332.18518	0.4
333.07556	4.7
334.08237	2.3
335.05463	1.2
335.09146	3.8
336.06198	4.8
336.09897	0.4
337.07040	100.0
338.07394	8.1
339.08667	3.6
343.09589	0.3
344.06696	0.5
345.07553	3.7
346.08148	0.4
347.05249	0.5
347.09113	0.8
348.06247	1.6
349.07047	7.0
350.07724	2.2
351.08594	9.3
352.08966	0.8
353.06427	1.5
355.08090	28.6
356.08447	2.0
361.07019	6.6
361.10757	0.5
362.07510	1.5
363.08633	12.0
363.13257	0.6
364.08939	0.9
365.06442	0.9
366.07166	0.4
367.08115	13.3
368.08386	1.1
371.09094	0.9
373.07040	3.2
374.07529	0.5
375.08777	1.2
377.06812	0.3
379.08099	30.5
380.08548	2.3
381.09561	0.4
385.09109	1.8
386.09219	0.3
389.10181	2.6
391.08099	39.8
392.08405	2.8
399.08612	2.2
403.07953	0.4
409.09161	49.3
410.09479	4.3
410.14465	0.4
417.09735	2.4
427.10260	79.0
428.10605	6.4
445.10571	36.9
445.24789	0.4
446.10593	3.5
446.26791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	2.7
58.73672	1.6
66.78127	1.5
67.05501	2.1
79.05494	3.3
81.07072	4.2
84.08143	10.3
91.05826	2.4
91.17390	1.5
93.07043	2.6
96.08157	1.7
98.09676	1.5
103.05485	2.0
105.07063	2.9
110.09699	1.6
111.49304	1.6
120.08115	10.9
128.10704	2.2
167.05528	2.0
196.62825	1.5
202.19446	1.4
220.72479	1.8
221.74333	1.4
262.21695	5.1
279.24231	4.2
280.22675	20.1
281.23062	2.2
298.23761	15.0
359.02679	2.2
383.30655	2.0
398.23434	1.4
427.29630	15.4
431.96185	1.5
445.30606	100.0
446.30893	4.2
448.98190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.6
68.05032	0.9
69.03065	0.8
69.03426	9.4
70.06588	1.9
70.14711	1.6
72.08164	1.2
84.04547	0.7
84.08144	1.3
86.05550	1.2
86.06067	19.7
87.04470	60.3
99.64403	0.6
104.07108	100.0
105.07494	0.8
129.10333	0.6
129.89560	0.6
143.42772	0.6
152.05650	1.3
203.10310	0.5
242.34499	0.6
262.71140	0.6
274.02658	0.6
274.18872	0.5
281.66678	0.5
327.22058	0.6
336.98502	0.6
337.38010	0.6
446.23154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05512	1.7
57.03437	24.3
59.05003	5.6
60.04509	2.4
61.02914	3.8
61.50095	0.9
69.03430	81.3
71.06985	1.8
73.02917	5.9
73.04739	1.0
75.04484	3.5
78.60709	0.9
81.02121	0.9
81.03421	3.7
85.02906	57.4
87.04470	57.5
91.03941	1.2
91.05802	1.2
91.55629	1.0
97.02893	65.0
99.04470	2.2
103.03952	1.0
104.73716	1.0
107.04989	1.1
109.02882	2.0
115.03933	93.1
120.08094	3.6
127.03921	8.8
133.04965	100.0
134.05284	1.2
135.08119	1.2
144.06604	1.4
145.04956	12.6
150.07616	15.8
159.07971	1.2
162.07739	1.2
163.06035	2.3
165.31609	1.0
169.05013	1.3
171.08014	2.3
180.08633	2.3
187.05989	1.5
201.09103	2.0
213.09163	1.1
241.07162	1.7
259.08136	3.9
277.09109	2.2
295.10168	1.7
386.19330	2.8
446.27542	1.4
447.28491	4.4
464.18625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	0.4
55.05513	2.3
56.05021	1.9
60.04560	0.3
64.29576	0.4
67.05501	0.6
69.07052	0.5
70.02951	0.8
70.06595	4.0
71.06456	0.5
72.08157	22.3
73.04753	0.7
82.06577	3.1
83.06091	0.4
84.04512	1.0
84.08143	90.3
85.06532	0.4
85.08475	1.7
86.09708	4.3
88.04005	2.6
91.05792	1.6
96.08128	1.6
96.78454	0.4
98.02422	1.3
99.09222	1.3
101.10806	2.3
102.05545	0.5
102.09174	0.6
104.07111	0.7
110.09660	0.4
111.09190	1.4
112.07613	0.6
124.07588	1.2
124.48093	0.3
127.08681	6.6
128.07037	0.7
128.10692	2.2
129.10239	100.0
130.10564	1.7
139.08685	0.5
141.10271	0.7
142.08624	8.1
148.06058	0.4
152.07091	0.4
157.13374	0.6
167.05531	0.4
169.09726	1.8
170.08185	1.1
183.14941	0.4
187.10779	13.2
187.12445	0.8
201.67540	0.4
208.36333	0.4
214.15488	0.4
215.10332	1.2
215.13882	4.4
216.13425	0.9
228.17081	2.8
229.62514	0.5
232.16550	22.5
233.16914	0.6
238.15533	1.2
247.11096	1.2
315.20374	0.5
325.18530	0.9
331.23389	7.6
343.19800	1.3
360.02954	0.9
414.23380	0.4
428.24930	0.5
429.23264	1.6
446.16245	2.1
446.26086	26.7
447.14664	3.0
447.26227	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	446.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94233	0.6
55.05477	2.1
56.05033	2.8
57.03401	1.8
57.63161	0.5
57.95098	0.4
58.06599	36.3
58.06868	1.4
67.05501	3.7
69.07037	1.4
70.06592	2.7
71.04969	0.7
72.08152	6.1
77.09666	0.5
78.95834	0.5
79.05444	1.9
81.07045	4.9
83.08582	0.7
84.08111	1.3
84.46311	0.5
87.06796	0.5
88.07593	1.6
89.05985	0.5
91.05840	0.6
93.07006	2.1
95.08613	4.7
96.08098	1.1
97.02907	0.6
97.06490	0.5
98.09641	0.6
100.07601	0.8
107.08611	1.0
108.08077	0.9
109.10101	1.9
110.09658	1.4
121.10084	1.4
124.11234	0.5
128.10704	0.8
131.37337	0.7
133.10078	0.6
144.10194	3.5
167.01282	0.5
196.20618	1.0
211.82481	0.5
212.20038	2.2
236.23586	0.5
252.23117	2.5
256.22803	0.5
262.25388	3.0
278.24826	6.3
280.26346	1.9
296.25815	7.5
298.27383	54.7
299.27686	2.3
307.56775	0.5
314.26865	100.0
315.27277	5.4
324.25409	1.0
342.26395	7.0
352.90958	0.5
360.27448	2.1
402.28500	12.6
403.28931	0.7
446.27469	87.0
447.27902	6.1
470.77124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	0.9
55.05511	12.2
56.05033	7.0
57.03444	1.2
57.05815	0.9
58.06602	7.0
60.04520	5.2
69.07070	0.8
70.02973	1.4
70.06593	10.4
70.67658	1.3
72.08157	100.0
73.08488	0.7
74.06082	40.5
82.06585	0.7
84.04501	7.0
84.08147	4.9
85.02928	1.2
86.09708	58.5
87.05576	3.9
87.10051	1.0
88.03990	3.5
96.08117	1.1
98.09702	1.4
98.83857	0.7
99.09189	0.7
101.07158	1.4
102.05560	2.4
110.07208	1.4
111.05525	0.7
112.11250	2.1
112.79926	0.7
114.09200	2.9
115.08728	0.7
116.07047	1.0
120.08126	2.0
123.08091	0.7
124.07606	1.7
124.11280	0.8
126.05514	4.6
127.08697	1.6
128.10719	3.2
129.06635	1.5
129.10225	3.5
130.05011	3.4
130.08617	0.8
132.10217	8.9
136.07605	0.6
138.05492	1.6
141.13893	1.3
142.08659	1.8
143.08224	0.7
143.11826	2.5
144.06561	7.4
148.06035	6.8
155.08224	0.7
158.11823	1.4
159.09253	1.1
159.11292	8.9
169.09761	6.7
169.13399	2.4
171.07607	1.4
173.12862	18.0
187.10780	15.1
187.14395	5.0
188.11179	0.8
189.08723	4.8
197.12898	3.8
199.07123	0.8
201.12361	16.3
213.15909	0.7
215.10347	15.5
215.11923	1.1
215.13889	18.8
217.08194	6.7
226.18042	2.1
229.11830	0.7
233.11479	1.2
233.14961	33.6
234.15302	1.5
243.13345	3.6
247.12910	15.9
255.17047	2.5
257.10376	0.7
261.14465	10.4
272.12585	1.0
281.63980	0.6
284.16098	2.2
286.20203	5.1
296.19678	0.7
297.15555	0.7
298.14023	1.9
300.19156	6.6
316.15067	9.4
330.16583	9.7
339.20175	0.8
348.17825	2.1
369.18021	0.7
383.23010	1.8
411.22357	2.9
429.23492	10.4
447.17758	3.6
447.24841	3.0
448.25452	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87413	0.8
55.05514	10.8
56.05039	9.4
57.02029	0.7
57.03436	1.5
57.05829	1.8
57.40473	0.7
57.94144	0.7
58.06593	6.9
60.04528	2.2
69.07075	0.7
70.02959	1.9
70.06594	12.2
70.67554	1.1
71.06940	0.8
72.08158	100.0
73.08499	2.3
74.06083	45.1
77.43843	0.7
79.05516	0.9
82.06590	1.8
84.04508	7.9
84.08144	9.3
85.02915	1.3
86.09712	53.6
87.05596	1.8
87.10049	1.1
88.04002	4.5
91.05830	1.0
96.08154	1.0
98.06076	1.3
100.07613	1.3
101.07172	1.8
102.05556	3.1
104.05330	1.3
110.06071	0.8
110.07156	2.4
112.08768	1.0
112.11311	1.6
114.09196	1.4
115.97611	0.7
116.03504	0.9
116.07099	1.3
120.06613	1.4
120.08149	2.5
124.07603	2.6
124.11284	1.1
125.07153	1.0
126.05531	5.4
127.08692	1.1
128.07066	0.8
128.10748	1.6
129.06628	2.5
129.10234	5.0
130.05011	3.1
132.10216	10.9
136.07603	1.8
138.05522	1.4
141.13910	2.4
142.08656	1.5
143.11798	2.2
144.06538	10.0
148.06049	4.1
152.23676	0.9
154.05019	1.1
154.08624	1.0
156.10103	1.0
158.11877	0.9
159.09225	1.2
159.11327	2.2
169.09732	7.9
169.13312	2.0
171.07697	2.3
173.12898	5.7
183.11351	1.4
187.10797	12.0
187.14421	5.4
189.08725	4.1
197.12921	3.6
199.07170	1.0
201.12360	8.2
203.10205	0.9
215.10335	18.1
215.13882	21.8
216.14113	1.3
217.08189	9.4
219.13303	1.9
221.11343	1.0
226.18146	1.3
229.11902	4.6
230.10306	1.3
233.14963	38.1
243.13440	3.3
247.12975	3.7
261.14413	5.1
267.18069	0.9
272.12488	1.4
282.18213	1.6
284.16068	2.9
286.20200	3.3
286.74521	0.9
298.14047	2.6
316.15100	9.6
330.16589	14.8
330.20224	1.3
336.12366	1.0
339.20172	1.0
348.17697	3.5
373.10693	0.9
383.23007	1.6
411.22287	3.4
429.17923	0.9
429.23456	13.6
446.73767	0.9
447.17532	7.1
447.25287	3.9
448.24823	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	447.2483
Annotation	MC-207,110
Peak:m/z	Relative Intensity
56.54399	4.6
57.07071	12.3
69.41908	15.8
71.08620	3.9
73.15818	3.7
95.08580	4.0
98.22624	4.2
105.36229	3.4
106.49300	3.6
107.84054	3.2
134.98152	19.0
169.50363	3.9
192.57095	3.9
193.89645	4.1
259.24115	3.9
286.53583	4.2
313.27267	10.8
447.24829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
58.06591	2.8
69.07063	3.4
70.74658	2.1
81.07059	2.5
82.06623	2.0
83.08595	2.4
84.08155	13.3
95.08584	4.2
100.11230	3.9
101.00972	1.9
105.07030	4.5
107.08562	2.2
110.09681	2.6
111.18441	2.0
112.11290	2.5
117.09299	1.8
120.08112	17.2
128.10698	2.6
149.02361	2.8
166.08556	2.2
182.15443	2.7
210.14951	3.9
236.23772	2.3
264.23218	11.3
282.24274	27.5
300.25327	13.9
384.10013	1.9
429.31070	16.7
447.25955	4.8
447.32153	100.0
448.32675	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	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03536	1.6
53.03942	3.4
54.47229	1.6
55.01872	4.0
55.05511	7.4
57.03418	3.2
57.04757	1.4
61.02922	2.0
65.03942	2.8
67.05506	11.1
67.83096	1.3
69.03430	10.3
69.07061	11.8
70.06576	7.1
71.04993	5.9
72.08144	1.8
73.21059	1.4
77.03943	1.3
79.05488	18.2
81.03417	4.2
81.07055	24.0
83.04977	21.8
83.08644	1.7
85.02911	15.4
85.06544	2.3
86.09695	6.4
87.04463	2.0
91.05470	15.7
93.07047	39.6
95.04975	11.9
95.08607	13.6
97.02885	9.1
97.06527	19.4
99.04478	10.5
103.03955	2.7
103.05450	1.8
105.07033	33.1
107.04958	10.8
107.08595	24.2
109.02864	4.7
109.06508	19.0
109.10158	5.2
111.04443	3.8
111.08090	3.5
113.06017	2.4
115.03936	1.4
115.05428	1.8
117.07013	8.9
119.04955	8.0
119.06058	1.4
119.08584	15.1
120.08096	4.6
121.05711	2.4
121.06512	27.9
121.10188	6.5
125.05992	30.8
127.03922	11.9
127.07533	2.8
129.06990	2.9
130.06485	1.4
130.07681	1.4
131.08562	12.3
132.08066	3.1
133.06503	5.9
133.10130	5.4
134.09300	1.3
135.04427	3.3
135.08064	9.3
135.11688	10.2
137.05963	25.7
137.13281	1.7
139.07538	7.6
139.35867	1.8
141.06979	3.8
143.07022	25.4
143.08569	2.7
144.09317	1.8
145.04974	4.0
145.06467	5.2
145.10114	52.2
147.08035	4.8
147.11693	10.1
149.02353	1.5
149.05963	2.0
149.09634	2.6
151.07544	3.4
153.01880	1.9
153.09068	2.8
153.12761	2.1
154.07748	3.3
155.08556	3.4
157.08620	5.6
158.07240	2.6
159.08057	4.4
159.11693	26.4
161.09644	2.1
161.13281	3.6
163.11177	69.4
169.10110	7.1
171.11644	2.6
172.08850	3.7
173.05984	1.3
173.09619	46.3
174.10091	1.7
177.12779	4.7
179.08577	5.7
180.08693	2.8
181.12239	15.3
182.07202	2.8
187.06003	2.0
187.11179	40.3
188.07089	2.6
188.22920	1.5
189.12750	7.4
191.10654	24.5
197.09607	11.4
205.12238	27.4
207.13716	2.8
209.11742	8.0
215.10672	51.5
216.11209	2.2
223.13243	3.8
227.12779	12.9
233.11726	89.8
234.12057	2.3
251.12798	100.0
251.16805	3.3
252.13106	3.1
269.13846	19.2
287.05487	74.4
299.05460	7.2
313.06708	1.5
329.06522	3.8
353.06653	2.4
413.08420	2.1
413.18106	2.9
431.09793	3.0
448.22620	1.7
448.28281	2.7
449.10953	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29140	2.9
55.01888	3.7
55.05502	4.9
57.03429	7.7
59.90321	2.9
60.49500	3.0
61.02911	3.8
67.05509	8.7
69.03432	17.2
69.07074	10.4
69.71900	5.6
69.72280	6.6
70.06580	17.4
71.05003	3.5
73.02919	8.0
79.05492	15.7
81.03412	5.1
81.07063	22.7
83.04972	20.1
85.02894	19.2
86.09729	4.3
87.04475	4.3
89.50383	3.7
91.05469	19.6
93.07040	33.7
95.04968	8.1
95.08626	14.6
97.02892	16.9
97.06521	17.5
99.04458	10.4
105.07026	34.4
107.04974	11.7
107.08589	23.0
109.02869	5.2
109.06526	17.7
111.04423	4.9
115.03947	14.4
117.07012	4.7
119.04981	6.7
119.08576	61.6
120.08129	6.8
121.06548	23.9
121.10198	6.2
122.44932	3.2
125.06001	23.5
127.03914	9.0
129.07034	3.9
130.07764	3.6
131.08589	7.1
133.04955	8.5
133.10139	4.4
135.04562	3.5
135.08040	8.2
135.11684	12.8
137.05974	24.3
138.16812	3.0
139.07550	10.2
143.07045	20.4
143.08549	3.7
145.06509	4.4
145.10115	52.3
147.11710	7.8
153.09103	5.4
157.08649	5.7
157.10097	4.0
158.07288	3.2
159.08038	5.4
159.11746	24.0
161.13293	4.3
163.11177	63.2
169.10129	10.0
171.11813	3.6
173.09586	42.6
177.12770	5.7
181.12210	16.7
187.11168	40.6
191.10667	23.5
197.09618	8.2
205.12241	22.1
209.11711	8.2
215.10628	49.0
227.12822	13.4
233.11710	86.4
251.12794	86.6
251.86829	3.7
269.13812	17.1
287.05472	100.0
287.08585	5.2
296.38751	3.6
299.05267	4.5
304.18118	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	448.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.05034	4.2
58.06597	1.4
61.01156	1.6
61.50134	0.5
67.05493	0.9
69.03434	1.1
69.07071	7.3
69.63081	2.6
70.02958	2.1
70.06596	27.4
71.06110	1.7
71.06946	1.1
72.08158	4.9
74.06087	1.2
78.38609	0.5
79.05502	0.6
81.07067	1.1
84.04514	2.6
84.08150	9.2
85.02916	0.9
86.09710	100.0
87.05594	11.5
87.10052	2.0
88.04002	2.2
91.05486	1.3
96.04489	2.5
97.02898	0.8
98.02419	7.1
98.09730	1.2
99.04935	0.9
99.05582	16.1
101.07175	0.8
102.05534	1.2
104.05329	4.3
105.07054	0.6
110.07166	0.9
110.09669	0.8
112.11284	1.2
113.07132	12.2
115.05048	3.3
116.07053	0.7
118.06914	4.6
119.08640	0.8
120.08109	2.8
124.03937	4.6
127.08681	1.4
128.10765	1.5
129.10240	4.4
130.05049	0.7
130.06541	1.0
133.03201	2.1
135.04437	0.7
136.07574	1.0
140.08247	0.7
141.06589	19.7
145.02864	1.8
147.07686	0.7
148.37465	0.7
150.05840	6.6
155.08136	0.7
157.13388	3.1
158.09256	37.2
159.09259	2.0
163.09013	0.8
167.11865	1.7
169.06091	1.9
169.09781	0.7
173.09311	0.8
177.05472	4.5
179.03438	0.7
185.12849	2.3
186.08742	32.4
187.14548	0.9
194.01115	0.6
194.12875	3.5
195.06592	0.9
226.18040	2.7
231.09706	0.6
237.12350	1.4
240.13449	7.6
246.08897	0.7
251.09138	1.3
254.15067	1.4
263.14246	17.1
264.23227	0.7
268.19061	1.7
269.10324	2.0
271.17688	2.8
281.15921	3.2
282.14481	4.7
282.24188	0.7
286.20187	7.5
286.23730	2.3
298.23785	1.0
299.05698	0.8
299.17136	31.9
300.17508	0.7
316.24738	1.2
329.06467	1.3
344.16516	1.5
373.19156	1.0
388.23166	1.0
448.25162	9.7
449.10562	0.9
449.19513	0.9
449.25146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Homoorientin
Peak:m/z	Relative Intensity
53.02001	0.7
63.20831	0.7
66.56240	0.9
68.99796	1.0
70.06590	1.2
75.12717	0.7
81.03423	1.2
85.02921	1.4
88.08755	0.8
95.27628	0.7
98.22643	2.6
107.35381	0.7
109.02895	1.3
121.02863	1.9
135.04419	2.6
137.02373	5.5
137.03323	1.0
141.01830	2.0
149.02321	3.1
161.02325	3.1
163.03935	3.5
165.01846	18.4
167.03418	2.4
175.03873	1.1
179.03336	1.4
181.04955	1.4
183.02910	6.5
187.03934	1.5
191.03401	2.2
195.02882	1.7
203.03487	1.0
205.04872	1.1
207.02895	0.9
245.04468	1.6
255.06538	1.7
279.06656	0.9
283.06033	7.4
286.04758	2.6
286.23950	1.8
287.05490	7.1
295.05963	1.4
297.07556	10.8
299.05502	100.0
300.06088	10.5
301.06772	1.4
310.04758	1.1
311.05460	9.7
311.09076	2.7
313.06989	3.2
321.07587	2.4
323.05542	1.3
324.06171	1.9
325.07071	29.4
326.07138	0.9
327.04987	0.8
329.06549	51.6
330.06760	1.2
337.06815	2.0
339.08609	17.2
349.06949	2.3
353.06537	63.0
354.06848	2.9
365.06561	9.0
367.08130	1.9
377.06494	7.4
383.07611	26.3
384.08087	1.2
395.07617	16.0
413.08658	17.5
414.09149	0.9
431.09647	14.0
449.10730	13.0
450.11301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
54.14730	0.4
57.03415	0.5
67.05458	0.5
68.99786	0.7
69.51393	1.9
70.06557	1.7
72.08132	0.8
79.01861	3.0
81.03387	1.4
83.04961	0.5
85.02885	1.6
86.09679	1.6
95.04939	0.6
95.95899	0.4
96.44930	0.4
97.02850	0.5
97.49969	0.5
109.02878	1.2
116.07102	0.6
120.08076	1.2
135.04433	3.0
136.05199	0.6
136.07565	0.8
137.02354	12.9
137.03371	0.9
147.04381	0.6
149.06038	0.5
153.01822	0.7
161.02312	1.9
161.05916	1.0
163.03926	1.2
164.07037	0.8
165.01837	4.1
167.03372	0.6
171.02827	0.7
175.03957	0.5
179.03365	1.5
183.02872	1.0
189.01750	0.6
189.05435	0.6
191.03331	1.5
195.02837	0.8
199.03917	0.8
203.03374	1.0
205.04898	0.9
213.05405	0.8
215.03319	0.5
217.04959	4.4
218.05498	0.5
219.02852	1.1
226.06242	0.6
227.07011	0.9
229.04979	4.3
233.04439	1.0
243.02870	3.1
243.06552	1.9
244.07271	1.0
254.05798	0.7
255.06656	0.6
257.04681	0.5
259.06006	4.1
261.03903	2.4
271.06012	5.5
272.06793	8.4
273.80597	0.5
275.05597	0.9
282.05130	0.5
283.06058	1.2
284.06702	1.0
286.04715	0.7
286.23819	0.6
287.05515	10.3
295.06094	1.2
297.07626	0.9
299.05505	67.6
300.06250	32.5
301.06891	2.7
311.05533	9.6
311.09082	0.9
313.07074	20.1
314.07541	1.1
323.05469	0.9
324.06277	2.5
325.03250	0.7
325.07025	8.3
327.05017	2.8
327.08615	0.9
329.06555	70.1
330.06824	3.4
337.07077	1.0
339.05069	1.0
339.08630	18.5
340.09058	0.9
341.06595	5.6
343.08136	1.5
353.06552	36.0
354.06812	1.5
355.08319	0.6
357.06067	0.6
359.07599	7.4
365.06345	1.2
367.08170	4.3
371.07678	1.6
371.84479	0.5
383.07590	12.5
384.08035	0.6
395.07559	8.8
395.12366	0.7
413.08670	20.8
414.08957	1.1
423.58893	0.5
431.09750	38.2
432.10400	2.2
449.10797	100.0
450.11172	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
53.63932	0.1
55.01852	0.1
57.11762	0.1
61.02930	0.1
63.09865	0.1
67.01868	0.5
67.05502	0.1
68.99800	0.4
69.03413	0.1
69.51498	0.3
70.06593	0.2
71.04993	0.1
79.05499	0.2
81.03404	0.1
81.07053	0.1
86.09732	0.2
87.04449	0.1
89.03896	0.1
89.47525	0.1
97.02880	0.1
97.06525	0.9
109.02860	0.1
111.00822	0.1
117.03409	0.1
119.16585	0.1
129.01930	0.1
134.92928	0.1
135.04414	1.8
137.02339	0.5
149.04675	0.1
153.01828	5.5
157.06369	0.1
161.02341	0.5
165.01868	0.1
171.02895	0.3
171.04306	0.1
179.03406	0.3
195.13783	0.2
203.03391	0.2
213.05498	0.2
213.14966	0.1
217.04745	0.1
219.06427	0.1
241.04915	0.6
245.04420	0.1
259.06076	0.2
263.05463	0.1
269.04510	0.4
269.17416	0.2
287.05496	100.0
287.18109	0.9
288.05826	4.5
299.05579	0.7
300.06104	0.2
313.07043	0.1
325.07050	0.1
329.06363	0.4
339.08670	0.1
353.06528	0.3
383.07831	0.1
431.09601	0.2
449.10709	1.0
449.19968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
60.35587	0.1
61.03801	0.1
67.00613	0.1
67.01854	0.5
68.99803	0.4
69.07037	0.1
69.99481	0.4
70.06587	0.2
71.04998	0.2
72.08159	0.3
79.05488	0.3
81.03436	0.2
81.07046	0.3
83.04980	0.2
84.08147	0.3
85.02911	0.3
86.09714	0.7
89.03900	0.1
91.05496	0.3
92.05809	0.1
93.07050	0.4
95.08640	0.1
97.02890	0.2
97.06512	0.1
98.23369	0.1
99.04475	0.1
105.07010	0.3
106.07346	0.2
107.04948	0.4
107.08565	0.2
109.06508	0.4
110.06859	0.1
117.03398	0.2
117.06908	0.1
119.08573	0.5
120.08101	0.7
120.08874	0.2
127.03840	0.1
129.01811	0.2
131.08502	0.2
135.04404	1.4
135.08061	0.3
137.02339	0.5
137.05977	0.4
143.08525	0.1
143.11711	0.2
145.10127	0.6
146.10469	0.3
147.11316	0.1
153.01833	4.6
161.02324	0.6
163.11139	0.4
164.11536	0.2
171.02911	0.4
173.09589	0.3
174.09871	0.2
177.12758	0.2
179.03423	0.3
187.11156	0.2
188.11467	0.2
191.10666	0.3
192.10960	0.3
205.12134	0.2
206.12541	0.2
216.10924	0.2
219.06554	0.1
227.20682	0.1
233.11763	0.5
234.12086	0.4
241.04938	0.5
251.12860	0.8
252.13148	1.0
263.05286	0.1
269.04437	0.4
269.13785	0.4
269.17294	0.2
270.14236	0.8
279.17130	0.2
286.04739	0.1
287.05487	100.0
288.05823	4.0
293.94070	0.1
299.05502	0.2
449.10895	3.6
449.17960	0.4
449.27573	0.1
450.11340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
67.01836	0.4
67.05505	0.1
68.99779	0.4
69.03410	0.4
69.13033	0.8
70.06557	0.1
73.02902	0.2
79.05458	0.2
81.07047	0.4
85.02879	0.5
85.45889	0.1
89.03892	0.2
91.05468	0.2
93.07015	0.4
94.05018	0.1
94.07344	0.2
95.04951	0.2
97.02866	0.2
97.06496	0.1
102.00837	0.1
105.07043	0.2
107.04980	0.2
107.08585	0.2
117.03365	0.3
121.06490	0.3
121.10133	0.2
135.04416	2.1
137.02315	0.4
143.07004	0.2
145.10074	0.3
146.10385	0.2
153.01817	5.8
158.73076	0.1
159.11732	0.2
161.02310	0.4
163.11136	0.3
164.11502	0.3
171.02861	0.4
173.09723	0.2
174.09926	0.3
179.03384	0.4
201.62393	0.2
210.92531	0.1
213.05440	0.2
215.10713	0.2
216.11011	0.4
218.40662	0.1
221.93443	0.2
233.11722	0.4
234.12062	0.6
241.04898	0.4
251.12802	0.5
252.13167	0.4
269.04459	0.6
286.04675	0.3
287.05490	100.0
288.05823	4.1
299.05502	0.2
329.06531	0.2
399.83078	0.1
449.10779	24.6
450.11148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.5
55.01864	0.4
57.03436	0.7
58.06592	0.4
61.02919	1.4
61.43071	0.2
65.03946	0.2
68.99789	0.7
69.03431	3.2
70.02115	0.4
71.04988	0.3
73.02914	0.4
77.55415	0.1
79.05479	0.2
81.03409	1.6
85.02907	10.5
87.04449	0.6
91.03941	0.6
97.02895	3.7
99.04462	0.4
105.03384	0.4
107.04964	0.3
109.02882	1.2
111.00818	0.8
111.04456	0.2
119.04935	0.2
121.02866	3.7
121.03826	0.3
121.34676	0.1
127.03912	1.9
133.02861	0.4
135.04427	0.2
137.02367	0.9
139.21465	0.2
141.65598	0.1
145.04947	1.5
145.06540	0.3
147.04395	0.6
153.01825	4.8
157.06502	0.4
165.01820	2.3
171.04422	0.2
183.02872	1.1
185.05951	0.5
213.05437	1.3
231.06528	0.9
241.04875	1.1
258.05246	1.2
259.05957	0.6
269.04437	0.2
287.05493	100.0
288.05847	3.9
305.73300	0.2
322.18317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45417	1.5
55.01887	1.7
55.05502	7.4
59.05000	1.7
65.03896	1.3
67.05508	44.9
67.05866	2.6
69.07069	7.7
70.06606	1.3
71.04992	3.5
74.32983	1.5
76.28073	1.3
78.16676	1.5
79.05500	21.7
81.07059	38.0
83.04959	1.7
83.08630	8.6
85.06531	3.5
87.00838	2.5
91.05473	12.8
93.07046	26.0
95.04990	2.8
95.08608	57.0
96.08908	1.8
97.06553	4.1
97.10184	2.7
99.08075	2.7
105.07047	10.1
107.08596	20.3
109.06560	2.6
109.10159	30.5
111.08098	4.1
117.07013	2.1
119.08601	7.4
121.10146	35.6
123.08105	1.5
123.11693	5.2
125.09657	3.4
127.11154	1.3
131.08585	8.0
133.10152	8.7
135.11693	29.5
137.09650	3.8
139.11185	2.0
141.09201	1.4
143.08540	1.8
143.10725	1.6
145.10094	7.3
147.11729	6.9
149.09595	3.4
149.13242	5.0
157.10144	1.5
159.10225	1.8
159.11722	3.7
161.09663	2.1
161.13268	3.9
163.11128	2.0
165.12718	2.0
171.11676	3.9
173.11754	6.2
175.14775	2.0
177.12773	1.6
181.12257	2.1
185.13264	2.8
199.14919	1.8
203.12743	2.5
217.19551	5.5
227.17935	6.7
235.20549	24.8
245.19044	16.3
253.21495	1.7
263.20041	47.5
263.22729	2.8
264.20425	2.1
273.18539	3.4
281.21130	100.0
282.21481	5.3
287.05688	1.8
291.19516	8.4
299.22122	10.1
309.20734	1.9
323.22183	3.8
359.65979	1.7
367.21634	2.1
377.19666	5.3
395.20691	13.3
413.21591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05511	15.7
57.03436	11.9
57.07077	5.7
60.67128	0.8
61.72821	0.7
65.03915	1.2
67.05505	32.7
67.05866	1.7
67.27172	0.8
69.07065	16.5
69.90856	2.5
71.08634	2.1
71.52786	0.7
75.10921	0.8
79.05496	9.4
81.07056	34.3
83.04979	1.4
83.08624	9.6
91.05470	6.6
93.07040	9.7
95.08603	28.5
97.06553	2.0
97.10172	3.8
98.23425	1.2
98.98471	3.8
99.08118	1.3
105.07005	4.5
107.08577	5.8
109.10146	11.8
111.08118	1.4
111.11687	1.3
113.00010	65.1
113.09632	0.9
114.15716	0.8
119.08566	4.0
121.10110	4.6
123.11722	4.6
125.91889	0.8
133.10130	4.0
135.11694	2.5
136.99985	3.5
137.09653	0.8
137.13266	2.2
147.11700	2.4
149.13272	2.2
151.11276	0.8
155.01051	3.5
159.62280	0.9
161.13258	2.1
163.14841	1.5
165.16440	0.9
169.02617	39.2
177.16330	0.8
184.20137	0.8
187.03653	5.2
211.03740	1.1
245.22583	4.5
263.23700	6.2
287.05624	1.0
313.27362	2.6
337.27344	100.0
338.27704	6.7
392.65927	0.8
449.26834	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	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	1.6
55.05511	19.7
57.03440	28.4
57.07079	12.7
57.78821	1.0
58.03183	0.9
65.59593	0.9
67.05508	48.2
67.72349	0.9
68.05833	1.0
69.06712	1.5
69.07066	21.6
69.45242	3.1
71.04996	2.6
71.08641	8.3
79.05498	15.0
81.07061	45.5
83.04980	1.3
83.08621	15.2
84.92826	1.1
85.06539	1.2
85.10192	4.2
91.05473	8.9
93.07051	13.0
95.04964	2.0
95.08611	41.0
96.08913	1.3
97.06527	2.2
97.10146	6.6
98.23418	2.2
98.98476	21.6
99.08112	1.1
105.07021	5.4
107.08601	6.2
109.10157	13.9
111.08075	1.4
113.00020	86.1
117.06981	1.1
119.08575	5.3
121.10163	4.7
123.11701	4.6
133.10129	4.0
135.11681	4.5
136.99991	18.3
137.13226	1.6
147.11678	3.1
149.13249	2.3
151.14879	1.3
155.01041	24.3
157.48091	1.0
161.13287	1.7
163.14864	1.7
169.02620	57.0
175.14822	2.3
187.03644	4.7
189.16431	1.2
193.02621	3.3
211.03658	3.9
239.23747	1.4
245.22588	4.3
263.23706	9.4
287.05573	3.2
299.05347	1.9
313.27417	13.1
314.27820	1.4
329.06488	1.5
332.16895	1.0
337.27374	100.0
338.27698	4.8
413.77762	1.1
440.02512	1.1
449.26517	23.5
449.32123	1.2
450.26694	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
57.03436	0.7
61.02914	0.9
67.05500	1.5
69.03419	1.9
69.07056	0.9
69.49962	2.2
70.06576	1.7
71.04967	0.9
72.08151	2.1
72.17480	0.4
73.02922	0.6
77.03948	0.5
79.05489	1.2
81.03413	1.3
81.07044	2.0
83.04975	1.5
84.08144	43.5
85.02905	5.5
85.06549	0.7
85.08495	0.5
86.09705	30.7
87.04457	0.7
91.05482	1.7
92.05795	0.6
93.07052	3.7
94.07385	0.7
95.04976	1.0
95.08588	0.8
97.02904	2.7
97.06544	1.1
98.06848	0.6
99.04474	0.9
101.10781	1.4
103.05465	3.5
105.07032	1.9
106.07334	0.7
107.04942	1.1
107.08575	1.4
108.08898	0.9
109.02857	0.8
109.06554	0.7
110.06843	0.8
111.04430	0.5
118.07336	0.5
119.08593	2.1
120.08102	100.0
121.02853	1.2
121.06487	0.9
121.08427	2.1
121.10127	0.5
125.05996	1.4
127.03915	1.6
128.10724	9.4
129.10237	22.8
130.08640	20.5
133.02866	0.6
135.04424	1.0
135.08067	0.7
135.11702	0.8
137.02344	0.8
137.05997	1.3
138.06302	0.8
143.07051	0.9
144.07420	0.6
145.04947	0.9
145.10153	2.6
146.10428	2.3
147.11275	21.8
153.01820	3.0
156.10214	1.5
159.11726	0.9
160.12013	1.2
163.11194	1.9
164.11481	2.3
165.01863	1.3
173.09607	1.9
174.09970	2.1
176.11783	0.5
187.11209	1.2
188.11540	1.0
191.10631	0.7
192.11063	1.2
205.12311	0.9
206.12625	1.3
207.51141	0.6
210.12057	0.6
213.05498	0.9
215.10709	1.4
216.10999	2.1
231.14925	0.9
233.11751	1.7
234.12082	4.0
251.12717	1.9
252.13132	4.9
259.14548	0.7
270.14063	0.9
276.17044	3.7
277.15491	0.6
279.17355	0.5
287.05496	81.0
287.12396	1.8
288.05878	5.1
294.14871	0.7
294.18134	13.3
295.18359	0.9
299.05353	5.1
303.17041	1.3
325.07025	1.1
329.06464	3.0
339.08719	1.2
353.06622	2.2
383.07672	1.0
395.07904	0.6
408.73294	0.5
413.08606	0.7
431.09879	1.3
449.10645	2.2
449.17520	1.6
449.27600	52.8
450.27911	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.8
56.05025	0.5
57.03434	4.2
58.06601	5.6
61.02928	5.3
65.03932	1.9
69.03429	11.2
69.45280	0.4
70.06573	1.4
71.04989	1.3
72.08165	2.1
73.02910	2.1
73.08527	0.4
79.05482	0.4
81.03411	4.5
81.07055	0.6
83.01344	0.5
84.08144	1.1
85.02904	59.3
86.09717	1.1
87.04466	1.7
91.03984	3.0
91.05479	100.0
92.05827	1.5
93.07058	0.7
93.83879	0.3
95.08587	0.6
95.72172	0.4
97.02892	33.4
98.03239	0.5
98.23418	1.0
99.04459	2.8
103.03941	0.9
105.05130	0.4
105.07024	1.0
109.02870	4.2
115.03925	3.4
117.07011	1.5
120.08067	0.4
124.27768	0.4
127.03914	14.8
128.10739	0.5
129.07019	1.1
129.10239	0.4
133.06488	1.9
143.03421	0.9
143.08592	1.5
145.04956	27.4
145.06396	1.0
153.07025	0.4
157.06546	1.3
161.04443	3.8
163.06015	13.5
171.08078	1.3
175.07593	0.9
217.08617	4.1
226.17982	0.7
235.09651	3.0
243.57358	0.5
252.19545	2.2
253.10724	4.3
270.20679	2.4
271.11951	0.4
288.21674	25.6
289.09277	0.9
289.21918	0.5
325.11090	1.7
432.25970	0.5
450.27029	24.7
451.27438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01865	1.8
57.03428	3.7
58.06601	6.9
61.02922	5.4
65.03929	1.9
69.03427	10.3
70.06571	1.2
71.01321	0.8
71.04984	2.1
72.08151	1.5
72.11339	0.6
73.02922	2.8
79.05467	0.8
81.03407	4.3
81.07038	0.6
81.10956	0.6
84.08150	0.8
85.02899	66.2
86.13420	0.5
87.04462	1.7
91.03959	2.8
91.05476	100.0
92.05846	1.4
96.08205	0.6
97.02888	35.6
99.04488	3.2
99.05019	0.6
101.02396	0.8
103.03955	0.8
105.07011	1.1
109.02878	5.3
115.03910	3.3
117.07001	1.7
120.08065	0.8
127.03906	15.3
129.07033	1.0
133.06488	1.5
143.08484	0.8
145.04948	30.7
157.06438	1.1
161.04405	3.0
163.06015	10.6
171.08066	1.2
180.08791	0.7
187.07449	1.0
217.08617	3.5
235.09668	2.5
252.19608	2.0
253.10727	2.7
254.21162	1.0
263.72247	0.7
270.20691	2.1
272.22174	1.4
288.21661	11.6
325.11093	1.4
330.22733	0.6
414.24664	0.7
432.25708	2.0
450.26932	29.1
460.81357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	7.3
68.74706	4.3
68.87576	4.4
69.07045	6.5
71.44663	4.7
79.05492	6.1
80.09491	4.1
81.07051	16.3
83.04994	5.2
85.02885	7.0
85.06527	6.8
91.05474	11.4
93.07037	18.6
95.04966	7.9
97.06546	6.7
105.07031	22.0
105.57793	4.1
107.08619	21.6
109.06512	9.6
119.08599	8.3
121.06502	8.3
121.10097	5.0
123.08060	9.8
123.11713	24.4
127.07561	7.2
135.08046	6.2
139.07553	5.0
147.11691	62.5
165.12752	79.4
183.13795	11.1
189.12778	5.8
193.12230	16.7
194.93727	4.6
209.15399	6.7
217.12286	12.6
219.88525	4.7
229.14372	48.6
235.13300	16.8
235.54691	4.9
253.14351	100.0
263.23953	5.1
350.74979	5.6
450.29987	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	450.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04787	0.7
61.01402	0.7
63.63541	0.7
67.05509	0.7
69.07059	1.3
69.15808	5.5
71.44779	0.7
76.65175	1.0
79.05491	1.9
80.06282	0.7
81.03443	0.8
81.07040	0.9
91.05469	3.5
95.08589	1.1
97.02866	0.8
98.22762	1.5
107.04966	4.2
107.08679	0.8
108.05745	1.5
117.07024	1.1
121.06546	1.5
131.04878	0.9
133.06485	1.2
135.04396	2.0
135.08029	1.3
136.05194	5.9
137.05959	6.5
138.06349	1.2
145.06462	1.1
147.08037	3.9
150.06775	0.7
151.07541	100.0
152.07921	2.5
160.08810	1.4
161.09615	1.1
163.07558	3.2
165.09117	9.4
177.09109	8.8
179.10690	0.9
189.09103	2.5
191.10692	2.4
202.09880	1.0
203.10628	3.1
210.61168	0.8
217.12198	3.5
243.44460	0.8
256.44507	0.7
278.18280	1.7
323.16409	0.8
340.16711	14.1
343.91855	0.7
352.21860	1.6
355.14694	1.2
355.19034	19.5
356.19296	1.3
373.19986	1.8
431.96362	0.9
458.87494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.4
56.05038	1.2
57.03413	1.8
58.06334	1.8
58.06601	22.7
61.02914	1.1
67.05505	3.0
69.03438	3.0
69.89735	3.1
70.06575	3.2
72.08159	5.0
73.02916	1.7
79.05491	2.2
81.03459	1.1
81.07046	2.0
84.94788	1.0
85.02901	9.3
85.52742	1.0
87.04514	1.2
91.05481	11.5
93.07044	1.8
95.08608	2.1
97.02887	7.6
98.23374	2.3
110.09721	1.2
115.03977	1.7
121.06464	1.8
127.03889	1.6
133.04950	1.0
145.04897	4.8
161.76993	0.9
163.06036	1.6
226.18127	1.5
229.08603	1.1
252.19531	5.7
270.20694	6.7
288.18457	1.7
288.21680	33.3
288.24722	2.2
312.21628	2.2
330.22635	3.1
414.24747	3.1
432.26019	11.9
450.26984	100.0
451.27237	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	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60831	2.2
114.10886	1.2
123.28876	1.2
152.58141	1.2
158.22420	1.1
160.77596	1.1
217.41862	1.3
234.33664	1.3
257.16931	1.4
262.83090	1.3
451.04855	100.0
452.05295	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46023	0.3
73.48238	0.3
94.92997	0.3
161.01367	0.2
181.40623	0.3
232.70860	0.3
245.00476	0.4
391.02756	0.8
433.04163	0.5
451.04852	100.0
452.05215	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	451.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24599	0.7
61.88267	0.7
70.80318	0.9
74.96112	0.7
84.08139	1.0
122.83059	0.6
126.78928	0.7
190.98689	0.7
244.53244	0.7
391.02573	1.1
451.04871	100.0
452.05371	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.84436	0.3
56.96564	22.2
57.07061	1.3
58.59764	0.3
67.05492	1.3
69.33890	0.3
69.34175	1.8
71.08621	0.6
71.95268	1.6
72.96020	0.9
74.97612	0.4
75.03813	0.3
75.97839	0.3
79.05510	0.5
81.07043	1.7
83.08610	0.3
83.52733	0.3
84.96030	0.4
86.66493	0.3
89.06020	1.1
91.05489	0.3
93.07026	0.3
95.08592	1.0
97.96789	3.5
98.23526	0.6
98.97594	1.6
98.98449	1.0
105.00139	0.7
109.10125	0.5
110.97575	3.2
112.99152	0.6
112.99925	0.3
115.97855	1.7
116.98599	1.3
119.01678	0.6
119.08559	0.4
123.01264	0.8
123.11755	0.3
128.98595	4.6
131.00183	0.9
133.08618	0.6
133.98837	0.4
134.99614	0.5
137.02747	0.9
141.02205	0.4
143.00168	0.7
146.99681	2.7
149.01244	0.8
152.00206	0.5
155.01056	0.5
155.03784	0.6
161.01215	1.2
167.03780	0.4
169.05347	0.8
171.03281	0.8
175.02815	0.4
177.11285	0.3
181.05310	0.6
183.07037	0.3
185.04791	0.6
189.04327	0.7
190.05081	0.7
195.06923	0.4
199.06390	0.5
203.05991	0.7
204.06642	0.6
208.06172	0.4
217.07529	0.4
222.07648	0.5
227.09511	1.0
239.09404	0.4
245.10617	1.4
245.22523	0.3
257.10480	0.5
261.11536	0.4
263.09518	0.4
263.23752	0.7
279.12857	1.2
291.12933	0.4
297.13782	0.6
317.17850	100.0
318.18234	4.1
319.19357	1.0
333.17264	0.7
335.18906	34.3
336.19409	1.6
337.27313	0.8
353.20001	1.1
358.20508	14.9
359.20752	1.1
361.20468	0.8
369.06531	0.4
389.18390	0.4
391.21548	11.9
392.21576	1.2
451.23285	0.7
451.29935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	23.2
67.05499	1.0
69.33833	0.8
69.34238	1.0
71.95250	1.5
72.96042	0.9
74.97600	1.0
81.07046	1.1
82.07397	0.4
91.05499	0.5
93.07058	0.5
95.08608	1.0
97.96803	2.4
98.22614	0.6
98.97598	2.2
98.98473	0.6
99.59150	0.3
105.00169	0.7
108.70505	0.4
109.10164	0.3
110.97575	3.6
112.53970	0.3
112.99160	0.6
115.97832	1.8
116.98631	1.0
119.01711	0.5
119.08564	0.3
119.31910	0.3
123.01201	0.8
128.98613	5.0
131.00175	0.5
133.98871	1.1
134.99655	0.3
137.02734	1.4
141.02184	0.3
143.00131	0.7
146.99632	3.3
149.01230	0.8
151.04314	0.5
152.00183	0.5
153.02161	0.3
155.01088	0.5
155.03807	0.9
157.01643	0.4
161.01202	1.1
165.00757	0.4
167.03754	0.5
169.05295	0.9
171.03264	1.4
175.02718	0.5
179.07356	0.3
183.06932	0.6
185.04855	1.0
189.04381	1.3
190.05147	0.5
199.06456	0.5
203.05891	1.2
204.06636	0.8
208.04150	0.3
208.06226	0.4
217.07515	0.4
227.09589	0.9
239.09570	0.6
245.10602	0.9
257.10629	0.4
267.12424	0.4
277.10983	0.4
279.12668	1.0
291.12671	0.5
317.17868	100.0
318.18213	6.2
319.19366	1.1
333.17346	0.8
335.18924	36.8
336.19400	2.1
337.27209	0.6
339.28104	0.6
353.20120	0.6
358.20541	14.8
359.20743	1.0
361.20602	0.4
391.21570	12.5
392.21432	0.9
398.06689	0.4
451.23514	0.5
451.30774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01863	2.7
55.05529	1.7
57.03174	2.4
57.03436	25.3
59.04997	3.7
60.04529	2.4
61.02932	4.3
67.05505	10.4
69.03431	83.0
69.81156	1.3
69.81482	3.3
70.06621	1.6
71.01369	1.7
71.04996	13.0
73.02923	10.5
74.72923	1.2
75.04465	1.7
79.05495	3.1
81.03426	4.7
81.07063	17.0
81.64423	1.3
82.06571	1.3
83.04981	2.6
84.68587	1.2
85.02907	77.3
85.06554	1.3
86.09720	3.4
87.04472	52.9
91.03976	3.4
91.05486	2.5
93.07037	3.3
95.04967	2.0
95.08622	2.8
97.02894	72.4
97.06522	2.5
97.10162	1.7
99.04473	4.1
105.07043	3.3
107.08632	2.9
109.02895	3.3
109.10158	1.3
115.03934	87.5
119.08608	1.9
120.08096	3.0
121.06579	1.4
121.10151	2.8
123.08180	1.5
123.11716	9.2
127.03919	17.3
131.08618	1.3
133.04970	100.0
133.10156	3.4
135.11638	2.0
137.09610	1.2
141.12752	3.2
145.04962	23.9
145.10127	2.2
147.04581	1.4
147.11731	1.5
150.07620	17.0
151.11198	1.5
153.12698	1.7
163.06013	6.8
165.12753	2.2
169.04973	1.8
181.12242	1.5
189.12804	2.3
191.14297	1.2
198.15869	1.2
217.07135	1.4
219.13832	2.5
223.06081	2.1
231.13879	1.3
237.14975	2.9
241.07053	3.7
249.14984	1.4
255.15950	1.8
259.08173	5.0
267.15668	1.4
277.09109	2.8
295.10367	3.5
303.18222	2.0
369.75354	1.1
443.48715	1.2
452.23380	7.5
453.18039	1.4
453.24472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05508	13.1
57.03432	10.6
57.07067	2.9
64.91824	1.2
67.05157	2.2
67.05507	30.7
67.68159	1.2
69.07070	16.2
69.18359	6.1
71.04966	1.6
79.05502	9.0
81.07057	32.5
83.08631	10.4
85.10191	1.8
91.05486	7.4
93.07049	8.8
95.08607	31.5
97.06532	2.7
97.10184	5.5
98.98469	33.7
105.07039	3.6
107.08575	4.5
109.10161	9.5
119.08599	3.3
121.10152	6.2
123.11707	4.9
133.10133	3.3
135.11708	3.4
137.13306	2.8
147.11665	2.5
149.13324	1.5
151.14806	2.2
155.01044	16.2
161.13199	1.8
173.02118	5.1
241.56248	1.3
245.22675	6.9
263.23651	16.5
337.27347	100.0
338.27777	4.6
369.96198	1.5
371.69547	1.3
417.24118	1.5
457.00067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94047	2.9
55.05499	14.8
56.45011	2.8
57.03421	3.5
57.07071	3.9
62.06095	23.4
67.05505	8.0
69.07080	19.2
70.26556	9.3
71.08638	4.4
71.99901	2.7
72.71552	2.7
76.57408	3.1
80.94831	10.0
81.07043	10.6
82.94562	4.1
83.08620	12.1
93.07035	4.2
95.08601	9.4
97.10174	4.2
98.98505	7.3
109.10163	5.7
121.10131	6.1
135.11653	4.1
155.01071	9.3
163.03937	18.1
164.52269	3.1
207.06546	19.9
280.26263	8.4
311.25775	100.0
388.85196	4.0
452.29446	5.4
461.90942	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09479	2.0
53.88383	1.8
54.21404	2.0
55.05521	11.8
57.03426	5.7
57.07071	6.1
60.78028	1.8
62.06091	28.7
67.05522	10.9
69.07075	10.7
71.08633	3.6
71.26025	1.8
72.83627	1.9
79.05487	5.0
81.07059	11.7
83.08622	15.2
85.06561	1.9
93.07039	5.6
95.08608	10.9
95.91494	2.4
97.10177	5.9
98.98456	6.6
99.46714	2.3
109.10146	3.0
111.08090	4.0
121.10143	8.3
123.11720	4.5
135.11687	6.6
139.08456	2.4
155.01031	8.1
163.03880	7.9
198.05338	3.4
204.10155	2.6
207.06528	14.2
216.06328	3.5
219.21089	2.8
237.22169	4.5
241.34738	2.1
280.26331	9.0
311.25800	100.0
312.25995	3.4
391.22137	3.2
434.26663	6.4
452.21460	2.3
452.28601	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23042	0.3
55.05497	1.0
69.07063	0.6
70.06584	0.8
71.45220	0.3
81.07049	0.4
82.06595	0.3
83.08617	0.7
84.08168	0.3
85.02905	0.8
93.07046	0.3
95.19785	0.3
98.09673	0.3
99.04446	0.4
100.11269	3.6
103.03954	0.3
105.07028	0.5
107.08556	0.4
111.04446	0.5
120.08102	0.4
124.07606	0.3
127.03920	0.4
182.15395	1.1
185.04213	0.8
201.86034	0.3
209.16409	1.3
210.14856	1.3
226.19104	0.4
229.12018	1.0
231.09921	1.2
247.13023	0.8
256.16077	0.3
267.10770	0.4
291.12015	100.0
292.12323	3.7
309.11755	0.5
326.26840	0.3
334.23874	0.3
335.94534	0.3
391.17459	0.3
409.18433	0.3
435.33377	0.9
453.17255	65.5
453.34161	5.0
454.17688	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	453.1734
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
67.69269	0.3
69.49572	1.2
70.06583	0.9
76.34387	0.3
90.13020	0.4
98.22752	0.8
100.11243	1.4
109.63065	0.3
123.87367	0.4
139.48428	0.4
182.15485	0.5
185.04207	1.0
209.16414	0.4
210.14783	0.5
247.13031	4.2
267.10483	0.4
291.12027	100.0
292.12366	4.2
355.20325	0.4
442.04422	0.4
453.17264	50.6
453.34137	1.6
454.17633	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	453.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25499	0.3
53.15498	0.3
55.05499	0.5
56.86621	0.2
57.25399	0.3
69.22592	0.5
69.22997	1.0
70.06598	0.3
70.47101	0.3
72.73403	0.3
73.45258	0.3
85.02900	0.4
98.23427	0.6
100.11258	0.5
105.07027	0.4
107.08569	0.4
121.06439	0.3
145.70419	0.3
159.38077	0.3
167.71873	0.3
181.87296	0.3
185.04178	1.3
187.34416	0.3
229.12102	0.5
236.86238	0.3
245.20720	0.3
245.48155	0.3
247.13033	3.7
273.11005	0.4
291.12030	100.0
292.12387	4.2
309.11737	0.3
328.60016	0.3
338.20493	1.2
375.13019	0.3
378.08002	0.3
391.17157	0.5
453.17276	71.9
454.17609	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	453.1733
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
55.05501	2.5
69.03426	1.0
69.07053	1.8
70.06594	4.4
70.55888	1.1
72.08154	1.0
73.51177	0.7
79.05477	0.8
80.10722	0.7
81.03398	1.5
81.07038	1.7
82.37392	0.7
83.08613	1.7
85.02895	2.5
85.06552	1.1
86.09706	6.8
91.05450	1.2
96.03323	0.8
97.02893	0.7
97.06490	0.9
100.07619	1.0
100.11255	6.1
103.03951	2.4
105.06993	1.1
107.08611	1.1
109.10129	1.0
110.07139	1.3
120.08138	1.0
121.10094	1.1
125.00003	2.1
127.03889	3.1
131.04849	1.0
131.08487	1.2
133.10124	0.9
145.02841	1.2
145.04924	1.6
146.03258	1.0
150.12894	0.8
163.05920	1.1
177.05519	1.0
178.05792	0.9
182.15382	3.0
184.07338	10.1
185.04262	0.8
195.14925	1.7
207.45956	0.9
209.16435	1.7
210.14871	2.9
226.18964	0.9
229.15437	1.1
243.17154	1.1
247.13013	5.8
281.11432	0.9
291.12030	100.0
292.12277	3.2
326.32837	0.8
334.73331	0.8
340.22217	0.9
435.33047	2.3
453.17114	88.1
453.34229	8.3
454.17401	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	453.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63486	1.6
54.63773	1.3
55.05486	1.4
57.16550	1.3
60.04533	1.4
60.08310	1.2
61.89705	1.3
69.03421	2.3
70.06601	9.7
71.43896	1.6
72.08150	7.9
79.61997	1.4
84.08106	3.3
84.47504	1.4
85.02891	4.1
86.09707	5.8
91.05486	3.2
91.90530	1.4
95.04968	1.9
97.02854	1.8
105.04398	1.5
110.07147	4.9
112.11227	2.4
119.04920	4.5
120.08099	4.3
120.58207	1.4
127.03951	1.4
135.04417	3.1
136.07611	1.8
138.09117	2.6
146.16449	1.4
147.04416	19.7
154.04961	1.7
163.03900	21.2
204.10191	3.5
207.11063	1.9
217.13347	1.6
220.09665	14.5
228.10165	2.9
243.11282	1.8
245.12822	4.1
246.11113	2.7
273.12225	4.0
274.10654	2.1
291.13397	49.6
292.20218	3.7
427.01843	1.4
435.10178	1.7
438.64395	1.4
453.20941	100.0
454.23438	25.4
462.63943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.6
57.03433	0.7
58.06582	2.4
58.97293	0.5
65.03934	1.4
67.05490	0.8
69.45599	1.7
69.46002	1.0
70.06593	5.6
71.04951	0.6
72.08154	18.2
74.06075	0.7
75.09234	1.0
79.05459	0.7
81.07056	0.8
81.87070	0.5
83.06075	0.5
84.04499	1.0
84.08134	5.1
85.02873	1.3
86.09702	4.4
87.10020	1.1
89.03916	1.8
89.05977	0.6
91.05466	5.1
93.07049	0.7
98.09718	0.6
105.07008	0.6
107.04939	1.7
110.07151	2.4
112.11241	6.7
115.03902	0.6
117.03371	3.8
119.04945	17.2
120.08102	2.0
123.08112	0.8
125.09644	0.6
125.32725	0.5
129.10246	1.5
129.13864	4.4
130.05023	0.7
132.08061	1.4
133.04895	0.7
135.04413	7.7
136.07532	1.4
145.02847	7.5
146.16498	3.7
147.04402	78.3
148.04776	2.0
152.05652	1.5
153.51411	0.6
155.11786	1.3
163.03896	49.3
164.04260	1.1
170.65372	0.5
204.10196	31.0
205.10582	1.0
218.11761	1.6
220.09679	17.1
234.11208	2.8
239.12689	0.7
275.17468	4.0
291.17065	2.5
292.13721	0.8
292.20184	8.8
308.19653	7.1
325.19394	1.1
436.22226	1.6
437.20813	1.5
454.23389	100.0
455.23865	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	454.2337
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
50.41834	0.4
54.28439	0.3
58.06577	1.2
59.38183	0.3
67.75871	0.3
69.45194	1.4
70.06591	0.5
72.08152	13.7
73.26361	0.3
75.09229	1.1
80.22574	0.3
84.08109	1.3
89.03905	2.4
91.05477	5.3
107.04938	0.8
112.11240	4.6
115.50401	0.4
117.03375	3.9
119.04942	15.7
129.13867	2.9
135.04410	8.8
145.02837	7.5
146.16531	1.8
147.04398	96.6
148.04738	2.0
155.11777	1.1
162.05492	0.3
163.03891	62.3
164.04216	1.2
172.14418	0.5
203.11778	1.1
204.10187	49.5
205.10524	1.5
218.11710	3.1
219.11342	0.5
220.09674	27.9
221.09831	0.4
221.12799	0.5
234.11217	3.8
251.13786	0.4
274.19156	0.5
275.17535	3.9
275.97998	0.4
290.18460	0.7
291.16959	2.2
292.20175	8.1
292.23291	0.6
296.90332	0.3
308.19650	6.6
309.19864	0.4
318.17963	0.5
404.32544	0.3
436.22534	0.7
437.20801	1.0
454.23340	100.0
455.23618	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	454.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09322	1.8
55.01868	3.6
55.05512	10.3
55.75749	2.2
57.03436	20.7
61.02929	14.9
67.05493	3.4
67.68587	1.9
69.03429	36.8
69.07059	12.5
70.06232	3.8
70.06590	44.2
71.01337	2.9
71.04991	6.3
71.44934	1.9
72.08154	3.4
73.02921	69.2
79.05497	3.5
81.03423	7.2
81.07055	6.5
83.05000	3.0
83.08634	11.1
84.08114	2.5
85.02907	100.0
87.04456	5.2
91.03923	5.4
91.05530	2.3
93.07040	4.7
95.08611	4.9
97.02898	57.9
99.04478	5.6
99.19516	2.3
100.07618	2.3
100.11240	18.3
101.11567	2.1
103.03931	4.7
105.07005	2.8
107.08591	3.9
109.02887	8.7
109.10129	2.6
115.03223	2.9
115.03941	32.2
119.08585	2.9
120.08125	2.3
126.09211	3.6
127.03928	32.1
128.07068	2.3
133.04973	34.2
135.11723	2.3
139.07533	2.9
145.04970	51.1
150.07628	2.3
162.65758	2.3
163.03893	2.5
163.06020	16.6
182.15392	21.2
193.04901	2.4
210.14941	13.3
217.07175	2.5
223.06009	5.8
230.11702	2.1
239.16501	3.1
241.07100	9.3
245.18594	2.0
257.17477	3.9
259.08105	10.3
262.47278	2.0
269.17404	3.1
277.09180	2.6
287.18433	2.3
295.10205	2.6
298.49899	2.6
322.76227	2.3
381.29791	3.5
390.31219	2.5
444.83224	2.6
453.83740	7.1
454.24506	6.4
454.31955	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	454.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
55.01879	2.3
55.05515	3.5
55.13320	0.9
57.03439	28.0
57.07090	2.7
59.05013	4.9
61.02927	6.5
67.05499	3.9
69.03432	78.8
69.07071	13.0
70.03973	1.9
70.06595	17.0
71.01360	2.5
71.04998	6.0
73.02917	23.9
75.04486	2.3
79.05493	2.5
81.03418	7.7
81.07063	4.0
83.04989	3.4
83.08611	7.2
85.02908	100.0
86.09715	1.7
87.04472	43.2
91.03969	3.6
93.07057	4.0
95.04971	3.0
95.08598	4.2
97.02898	73.7
97.06542	2.0
99.04470	4.2
100.11238	2.2
104.10771	1.8
105.07023	2.8
107.05038	1.2
107.08603	2.5
109.02920	6.0
109.10181	1.9
111.04460	2.3
115.03933	86.3
119.08626	1.5
123.11746	2.0
125.13278	1.3
127.03928	17.9
133.04970	80.7
135.11543	1.5
139.07520	3.1
143.14340	3.5
145.04970	33.6
145.10052	1.4
147.04424	2.2
147.11681	1.2
150.07619	11.3
153.12759	3.1
155.14282	1.5
163.06009	10.4
167.14352	1.4
169.04976	2.4
171.13867	1.9
177.12704	1.6
179.14380	1.1
181.04897	1.3
183.13835	1.2
184.07404	2.0
193.04877	1.4
209.15266	5.5
210.14844	1.1
221.15309	3.1
223.06081	3.1
227.16466	1.4
239.16310	3.4
241.07106	4.8
245.43260	1.5
251.16504	3.4
256.94778	1.1
257.17566	1.7
259.08151	4.2
269.17551	3.6
277.09290	2.1
287.18530	3.3
295.10263	2.9
305.19611	4.4
325.24600	1.4
399.94403	1.2
408.37970	1.2
412.15158	1.3
449.21442	1.2
454.25552	2.8
454.31461	3.2
455.09592	2.2
455.20148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05502	2.5
57.03437	3.3
57.07080	21.5
60.90945	1.3
62.06089	26.2
65.51074	1.3
67.05502	4.6
69.07076	3.0
69.74807	3.4
69.75158	2.0
71.08634	14.6
81.07047	6.3
83.08619	5.1
85.10192	7.8
90.58064	1.2
95.08609	11.0
97.10184	2.0
98.22749	2.8
98.98479	5.2
109.10162	4.6
123.11689	1.3
124.01616	1.7
137.34578	1.2
153.46463	1.1
155.01015	7.7
216.06285	3.4
239.23763	1.9
242.88351	1.1
282.27911	11.8
313.27365	100.0
314.27710	4.6
319.48843	1.6
371.94705	1.4
393.23993	6.8
436.28024	3.6
454.29315	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05502	3.6
57.03440	7.8
57.07076	26.4
59.08523	0.4
67.05505	5.1
69.07066	4.7
69.31901	1.9
69.76667	0.4
71.08631	16.8
79.05482	0.7
81.07054	7.7
83.08622	5.7
85.10178	9.7
89.06030	2.0
93.07037	0.5
95.08608	9.4
97.10165	2.8
99.11710	0.5
101.98058	0.4
103.07581	1.5
109.10152	4.6
120.96638	0.7
123.11735	1.9
142.97305	0.4
145.12204	0.5
181.06436	0.4
198.01013	0.4
225.09045	0.8
229.61925	0.4
239.23633	1.8
241.25539	0.4
241.71114	0.5
256.26315	0.6
257.24771	2.5
282.27887	2.8
313.27347	100.0
314.27667	4.9
335.25714	0.6
428.53534	0.4
450.62027	0.4
454.33109	0.7
455.21759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29928	0.8
51.42575	0.8
55.05503	1.8
57.07077	36.0
67.05501	0.9
69.07062	2.0
69.63277	3.4
69.63628	1.1
71.08634	25.1
73.06544	6.5
77.23787	0.8
81.07059	1.3
83.08631	2.6
85.10187	20.3
87.04470	3.5
89.06032	100.0
93.07705	0.8
97.10163	3.0
98.22710	0.9
99.11733	3.5
107.07085	1.6
113.13314	1.2
117.09141	1.7
130.08682	1.0
133.08604	47.8
142.67700	0.7
155.18025	4.1
157.30638	1.0
177.11212	20.1
195.12297	3.2
199.20618	4.1
221.13879	3.2
239.14922	2.8
243.23192	9.4
283.17523	22.7
287.25845	5.3
313.27274	2.4
345.66629	0.8
386.34399	0.8
393.31985	1.6
437.34729	30.1
438.34973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1318
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
56.89132	2.3
57.83445	2.4
70.06590	4.5
70.31863	5.4
72.08116	2.2
84.04508	2.1
98.97575	4.2
142.35803	2.2
146.44270	1.8
147.04408	11.8
148.04689	6.3
160.92058	1.9
163.03867	9.7
164.71251	2.3
204.10263	4.8
205.10582	2.6
220.09718	4.6
246.60144	2.1
268.70264	2.3
274.97446	4.9
292.20020	2.7
292.98621	3.7
314.37979	2.2
316.62271	2.3
359.32678	2.2
387.01569	2.2
455.13229	100.0
455.22754	22.4
456.13968	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	455.1527
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
51.62696	1.5
57.38953	1.4
57.83943	1.6
66.20005	1.5
70.06584	3.3
72.08162	1.8
73.44434	1.6
89.02883	1.7
98.97568	2.2
109.69086	1.7
116.98640	1.9
117.72359	1.7
248.25162	1.8
272.51498	1.9
274.97668	3.3
455.15207	100.0
456.15604	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	455.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05518	14.2
57.03440	15.1
57.07074	2.1
65.03942	1.6
67.05503	64.0
68.05843	1.4
69.07066	16.0
69.64407	4.9
71.04992	1.5
79.05496	35.3
81.07057	55.5
83.04984	1.3
83.08614	6.1
85.06522	1.5
91.05480	16.6
93.07043	35.5
93.07603	2.4
95.04974	3.0
95.08607	38.9
95.09217	2.2
97.06537	2.2
105.07027	9.3
107.08588	15.2
109.06523	1.4
109.10163	12.9
117.07024	2.7
119.08592	6.5
120.96638	83.4
121.10133	10.9
123.11729	3.1
125.16548	1.2
131.08586	4.8
133.10143	4.6
135.11682	5.9
138.97742	1.4
145.10153	3.9
147.11703	2.7
147.92155	1.3
149.13266	1.6
156.97508	4.1
159.11604	1.3
161.13188	2.9
173.13272	1.8
174.98552	4.9
175.14713	1.3
195.00337	9.7
213.00084	6.5
264.96515	1.1
274.97488	1.1
287.77539	1.1
301.20279	2.2
335.25797	100.0
336.26132	5.9
357.23990	47.8
357.28500	1.4
358.24390	2.6
375.24991	1.9
389.49695	1.3
437.13376	1.7
437.20221	5.8
455.21655	93.8
456.21933	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.5
67.05501	8.9
69.07045	7.2
70.57351	12.6
79.05493	12.3
81.07050	25.2
83.08617	6.2
91.05491	8.5
91.78207	5.4
93.07024	10.3
95.08598	14.6
105.07027	9.5
105.79742	5.0
107.08611	10.4
109.06525	7.3
109.10141	5.9
119.08573	7.8
120.08109	7.6
123.08082	6.2
125.09586	7.1
131.08583	6.4
133.10150	8.1
145.10075	6.7
274.97583	16.0
275.20123	12.0
455.09390	27.3
455.23895	100.0
455.31329	6.4
455.32455	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01869	7.6
55.05497	5.6
57.03432	7.0
57.20612	2.2
61.02928	12.0
61.36857	2.0
67.05510	18.2
69.03431	38.0
69.07064	33.8
69.71107	9.0
71.04996	5.8
73.02916	7.3
79.05499	16.7
81.03416	29.0
81.07058	30.3
83.04977	5.4
85.02906	59.1
85.06538	3.1
87.04466	9.9
91.03976	3.0
91.05492	19.2
93.07043	20.7
95.01351	2.2
95.02106	2.2
95.04984	10.7
95.08618	18.9
97.02902	25.6
97.06516	10.0
98.97606	3.0
99.04443	5.5
99.08105	4.4
102.91748	2.1
103.04542	2.6
105.07024	22.6
107.04971	10.1
107.08594	11.0
109.02879	9.0
109.06507	3.6
109.10139	6.0
112.63005	2.6
116.98624	3.1
117.07029	8.6
119.08590	15.2
121.06422	2.7
121.10144	5.6
123.08074	3.2
125.09640	4.8
127.03946	13.1
131.08578	11.5
133.10187	13.0
135.11697	7.2
137.09570	3.3
145.04973	5.1
145.10114	8.7
147.11674	9.7
149.09613	9.5
151.11157	3.7
153.45734	2.3
157.10045	3.0
159.07962	3.0
159.11696	9.1
161.13286	5.2
163.11182	6.0
171.11571	2.6
173.13284	2.8
173.15776	2.9
175.11200	2.4
177.09120	2.9
177.12854	3.0
179.14268	14.4
183.11713	3.2
187.11163	3.1
257.19037	3.4
266.89313	2.6
274.97470	9.0
275.17056	3.4
275.20047	56.7
293.21100	100.0
294.21539	5.5
300.85846	2.5
317.21173	8.3
419.24112	3.0
455.09442	11.1
455.20184	4.3
455.26456	62.8
456.26709	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.01868	10.8
55.05515	41.7
56.05844	3.8
57.03434	9.0
61.02921	7.5
67.05505	47.8
69.03423	42.0
69.07059	22.6
71.04984	9.3
71.44905	5.0
79.05490	54.3
81.03408	19.6
81.06622	6.6
81.07061	68.9
83.04965	7.7
83.08626	24.3
85.02916	34.6
85.06525	4.0
87.04466	5.5
91.05483	39.1
93.07040	34.3
95.04952	10.8
95.08604	34.5
97.02885	16.3
97.06530	13.8
97.10180	26.0
98.97579	9.1
99.04428	10.1
101.71224	3.7
105.07040	41.7
107.04961	9.8
107.08593	56.8
109.02883	11.8
109.06522	36.0
109.10139	15.0
111.27636	3.5
114.12962	3.3
115.59805	3.4
117.07011	15.4
119.08591	36.4
121.06450	4.7
121.10155	15.2
121.93948	3.4
123.08068	9.2
123.11696	4.6
125.09624	27.0
127.03910	17.4
129.06985	9.5
131.08578	21.9
133.10153	28.5
135.08043	10.2
135.11670	13.6
141.06955	4.8
143.08617	8.7
145.10133	16.7
147.08066	5.6
147.11690	21.8
149.09590	11.0
149.13246	4.5
157.10100	9.0
159.08017	5.2
159.11699	17.3
161.13289	7.9
163.11221	4.5
165.09023	5.3
169.77011	3.8
171.11673	4.9
173.09671	5.3
173.11850	4.2
173.13245	6.2
185.13275	7.4
187.11174	4.3
189.11237	26.9
206.74213	4.2
221.15405	7.6
257.19058	8.1
274.97446	11.7
275.20093	100.0
276.20374	4.8
291.19656	11.1
292.98660	6.5
293.21066	29.1
392.66528	4.2
437.24936	6.6
455.09445	16.0
455.24332	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	455.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45244	3.1
55.01891	3.0
55.05506	17.0
57.03456	2.8
57.07077	6.5
59.04992	5.0
59.39689	2.7
60.08482	2.8
67.05506	19.9
69.03432	13.9
69.07072	13.3
70.06232	5.2
70.06596	64.4
71.04983	7.1
71.44876	2.9
72.08167	11.5
79.05509	16.6
81.07059	43.5
83.04988	13.4
83.08625	8.9
85.02921	15.9
85.06550	18.1
86.09703	18.0
87.09996	3.4
91.05498	11.8
93.07047	30.9
95.04967	9.5
95.08623	24.7
97.02924	5.5
97.06549	11.8
97.10183	8.1
98.97572	5.3
99.08124	4.5
100.11266	7.0
105.07053	20.0
107.04920	5.1
107.08604	29.0
109.02876	4.1
109.06540	12.0
109.10165	21.4
110.07148	4.2
111.08071	20.2
113.09661	7.1
114.09187	4.0
115.07624	2.9
116.21317	2.9
117.07024	3.8
119.08589	30.3
120.08163	2.9
121.06526	8.0
121.10145	38.5
123.04437	5.2
123.08060	15.7
123.11701	22.3
125.09634	25.9
127.07632	3.8
131.08528	11.7
133.10141	17.9
135.08070	21.6
135.11694	10.8
137.09625	12.6
139.11169	3.6
143.08685	3.4
145.10152	17.0
147.11740	11.4
149.09578	15.2
149.13254	5.4
151.11203	3.9
151.17570	3.3
153.09126	34.4
155.08437	3.1
157.10132	7.2
159.11662	16.5
161.09679	5.5
163.11186	12.0
165.09100	9.5
167.10690	4.7
169.13351	18.8
171.11667	4.5
173.09665	3.0
173.13237	25.9
175.11220	6.3
175.14809	5.9
179.10608	5.8
183.14931	6.2
185.13292	3.6
187.11153	6.1
187.14825	23.1
189.12767	5.1
191.14290	8.5
197.12877	17.8
199.14835	4.0
201.12737	7.2
207.13794	5.5
211.14551	5.9
213.16168	3.3
215.17940	5.4
217.15921	7.4
219.13828	8.0
229.19601	6.3
233.15407	6.0
247.20526	6.1
257.19070	16.1
259.09839	9.6
259.20303	5.4
263.20197	4.1
274.97455	3.4
275.16821	5.7
275.20071	79.8
275.22916	6.0
276.20605	4.4
293.14307	4.6
293.17291	19.4
293.21140	60.9
307.66547	2.7
310.21304	6.2
317.21179	3.4
342.23663	3.6
437.08273	4.4
455.09818	20.1
455.22427	100.0
455.31735	5.5
456.23328	4.0
456.29370	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	457.1123
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
51.00755	0.8
53.03950	4.3
55.05505	1.2
57.03439	8.5
59.05000	4.4
60.01288	0.7
61.02943	1.1
66.52118	0.9
69.03424	13.3
70.06590	32.5
71.04998	7.7
71.06935	1.2
72.08153	16.1
72.08520	1.2
73.02924	5.0
81.03419	19.1
81.03896	1.1
84.04519	2.1
84.08137	7.1
85.02895	1.5
86.09708	10.2
98.97807	1.4
98.98463	16.4
99.04456	12.2
104.06974	0.7
110.07205	2.3
110.09695	1.2
115.08714	0.9
116.07098	4.3
117.05495	9.2
117.10217	0.9
118.06570	1.2
120.08112	1.9
121.02899	2.2
126.05553	0.9
129.10249	5.2
140.99437	0.9
145.07651	2.6
147.04427	1.9
147.09166	2.7
157.07661	1.3
159.09128	5.2
170.07150	1.1
170.11745	1.5
171.09235	1.1
172.08687	24.6
173.07074	4.7
175.08751	2.2
184.08781	1.7
185.10867	1.6
186.10301	1.6
189.65085	0.8
190.09859	1.2
191.08220	0.8
194.08289	0.9
197.09502	2.2
198.06604	6.7
198.10367	2.3
199.12335	1.0
200.08238	3.2
209.10913	0.9
210.10170	1.5
214.09802	3.2
215.14001	1.1
216.07683	18.5
218.09357	1.7
219.07698	1.9
224.11879	1.8
226.09953	1.2
227.10292	1.0
228.13438	1.3
228.17030	0.8
229.15451	7.4
230.15727	1.5
231.09845	1.1
231.44400	0.8
242.14999	1.6
243.08763	49.3
244.07225	2.5
252.11502	1.3
254.12866	0.8
257.10541	0.9
285.09946	1.0
295.06003	2.1
297.10052	1.0
307.05930	3.6
308.06589	1.1
316.12952	1.8
323.11447	1.2
325.06973	7.7
334.09628	1.9
337.07108	3.7
341.12436	9.3
351.08728	2.1
359.13483	36.9
373.83188	0.8
376.46536	0.9
377.14581	4.1
379.08008	3.7
379.83755	0.8
391.08066	1.2
396.09506	4.8
397.08160	2.4
403.08182	2.4
409.09103	2.1
414.10590	9.3
421.09079	6.0
439.10147	100.0
440.10019	3.2
457.11270	50.4
457.17419	14.0
458.11575	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	457.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01869	1.3
55.05513	22.4
57.03440	12.4
57.07080	3.2
65.03956	1.5
67.05508	44.5
69.07072	25.9
70.95646	1.3
71.04993	1.7
71.08634	1.3
71.17420	1.0
79.05499	13.0
81.07059	47.3
83.05003	1.7
83.08617	11.0
85.06557	1.3
85.63461	1.0
91.05484	9.6
93.07056	13.0
95.05014	1.2
95.08612	34.8
95.09219	2.2
97.06525	2.9
97.10176	5.0
105.07039	5.0
107.08598	6.9
109.10155	13.2
111.08076	1.3
114.52818	1.2
114.66129	1.3
119.08603	4.0
120.96641	71.6
121.10158	4.1
123.11716	4.7
133.10117	4.7
135.11688	3.2
147.11693	2.8
156.33644	0.9
156.97514	3.2
161.13295	1.7
163.87901	1.1
174.98590	2.3
195.00407	7.0
197.66698	1.1
213.00186	4.1
229.23753	1.1
268.94543	1.2
270.14569	1.1
321.22949	1.4
337.27371	80.1
338.27698	2.3
359.25568	28.5
359.29947	2.1
360.26080	1.4
365.34232	1.0
439.22101	3.7
457.23267	100.0
458.23538	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	457.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01860	7.7
55.05255	2.8
55.05512	38.7
57.03437	4.0
61.02937	7.2
65.03962	1.6
67.05508	26.7
69.03426	22.6
69.07069	11.5
71.05000	3.9
71.44960	1.9
73.02905	3.5
79.05499	13.9
79.77573	1.3
80.58296	1.3
81.03417	15.8
81.07051	31.4
83.04974	4.9
83.08620	55.1
83.09098	3.0
85.02905	40.8
86.63641	1.5
87.04475	3.4
91.03935	2.0
91.05478	19.9
93.07041	18.7
95.04982	6.7
95.08612	16.0
97.02893	20.3
97.06534	5.7
97.10160	2.5
98.97572	1.9
99.04482	3.6
99.08079	2.7
105.07013	16.3
107.08595	16.0
109.02872	6.1
109.06544	5.3
109.10183	7.4
109.78703	1.6
111.08084	15.5
116.85497	1.3
117.07012	2.1
119.08573	10.9
121.10149	11.2
123.11743	3.1
125.09618	2.2
127.03889	9.5
129.09111	3.1
131.08589	5.9
133.10130	20.1
135.08012	1.7
135.11722	5.7
139.11185	11.6
143.08635	1.8
145.04979	6.4
145.10138	5.1
147.11699	13.1
149.09628	7.9
149.13261	21.1
151.11179	5.6
157.10136	6.1
159.11739	3.2
161.13307	4.2
163.11163	2.2
165.12700	7.1
167.14363	4.0
171.11702	2.5
173.13245	2.8
175.11218	5.9
175.14868	2.9
177.12872	1.9
179.14308	4.0
181.12204	1.8
185.13303	2.6
193.12274	2.9
195.90916	1.6
213.16423	2.1
213.61720	1.4
218.16548	1.7
221.15482	1.8
231.21173	2.2
241.19505	5.8
259.20584	11.8
277.21625	100.0
278.21997	3.5
295.22641	34.1
296.22934	1.5
301.21667	1.8
319.22763	2.4
385.24185	1.9
469.75092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82851	0.4
60.05647	22.1
60.76528	0.5
69.21848	1.8
69.22256	0.8
70.06591	49.8
71.04992	0.6
71.06918	0.6
72.08160	3.0
72.59647	0.5
86.09698	3.8
88.07674	0.5
93.14259	0.4
97.07642	0.7
98.98461	1.6
112.08722	1.9
114.10279	0.6
115.08727	0.9
116.07082	16.1
116.07903	1.0
117.93417	0.6
119.17256	0.5
129.05450	0.7
130.09756	7.7
132.10191	2.2
147.06505	0.7
147.20972	0.5
157.10858	2.0
158.09248	6.0
173.07814	1.0
175.11897	100.0
176.12178	1.5
178.93970	0.5
215.09903	1.0
268.15311	0.7
286.16122	1.3
328.18262	2.0
346.19559	0.7
371.19949	1.1
458.10260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.3
58.99577	20.7
67.05489	8.9
74.91819	4.6
76.02227	30.4
79.05507	11.8
81.07062	5.7
86.99059	24.7
93.07017	6.6
94.58125	5.0
97.10139	6.5
100.02190	4.9
107.08604	8.3
109.10120	7.8
112.02218	9.1
119.01647	26.8
124.11217	19.3
136.04268	20.0
153.09088	5.2
170.11772	28.2
182.09920	6.1
210.09435	56.3
228.10509	100.0
228.15471	4.2
230.51534	4.3
256.10004	44.4
270.11603	16.9
274.27164	4.2
288.12634	88.7
415.17386	5.0
458.23779	6.3
466.37750	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	458.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.05033	0.9
58.06599	6.8
67.05506	4.3
68.30693	0.5
69.07076	1.6
70.06597	14.1
70.30757	1.2
79.05502	0.8
81.07047	3.7
82.06606	0.8
83.08629	1.3
93.07051	1.7
95.08595	4.9
96.08157	1.4
97.08911	1.0
98.09660	0.8
98.22813	0.7
109.10158	1.6
110.09652	1.4
114.09174	0.8
118.06544	1.3
121.10130	0.9
122.56617	0.6
128.10739	2.0
130.06534	2.6
132.08081	5.3
137.05984	1.3
138.24826	0.6
144.08101	4.3
146.05998	10.6
159.09177	10.2
164.47821	0.6
170.06050	2.1
185.77850	0.7
188.07068	16.1
201.47441	0.6
208.20578	0.7
235.21739	4.8
236.20102	23.7
237.20410	0.9
253.22670	4.7
254.21150	34.9
272.22192	13.5
394.28885	0.9
440.28961	6.7
458.30157	100.0
459.30231	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	458.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75129	0.6
55.05505	2.4
56.96570	1.0
60.05654	5.8
66.62614	0.5
68.05027	0.9
69.07077	1.1
70.06593	99.9
71.04994	5.2
71.06927	1.0
71.43127	0.6
72.08160	20.5
74.06050	1.1
82.06590	1.1
84.04497	0.8
84.08141	5.0
85.02911	2.3
86.09193	1.1
86.09709	19.3
86.10221	1.1
88.07642	2.6
95.06122	0.7
97.07666	1.8
98.06076	3.1
99.08081	1.4
110.07183	1.7
112.08733	26.7
115.07519	0.6
115.08718	4.9
116.07100	2.8
117.09120	0.8
127.03973	0.6
129.10271	2.4
130.08716	0.7
138.12814	2.6
140.08200	5.1
141.10303	1.2
143.11839	1.7
145.04993	1.0
147.11314	0.8
148.55772	0.6
156.07727	0.7
157.10828	5.9
157.13344	3.5
169.09901	0.9
171.11346	1.9
182.16585	1.9
183.11452	0.7
183.14928	9.0
185.12886	2.4
185.16481	3.3
189.12334	1.8
203.10284	12.2
208.14500	1.4
210.16068	3.1
211.14455	1.9
213.15994	1.1
215.13745	0.6
217.11783	0.8
219.04810	0.7
225.14902	1.4
225.17110	28.2
226.17482	0.9
229.15506	1.0
230.11392	1.4
231.09790	0.8
233.08171	0.7
242.19814	2.3
244.04366	1.0
253.16576	5.0
256.16724	0.8
270.19312	1.2
271.17709	1.1
274.13950	2.3
288.20251	1.1
316.10129	0.7
328.30408	0.6
341.26730	1.5
351.24756	0.8
352.23636	0.7
369.26135	2.0
370.24606	1.8
383.85556	0.7
387.27170	3.0
398.02191	0.8
415.13358	3.9
441.28055	4.0
458.30878	100.0
459.12787	2.3
459.31177	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	459.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85692	0.6
67.05498	0.9
69.07071	0.9
69.67130	1.1
69.67515	1.6
72.08132	1.1
75.40339	0.7
79.05518	0.8
81.07067	1.8
85.02906	0.6
86.06049	0.8
86.09726	0.7
88.97061	0.8
93.07062	1.7
94.37642	0.6
95.08614	1.9
97.06516	0.9
98.22734	1.1
107.08604	1.5
109.10170	1.4
119.08532	1.1
121.10186	1.2
123.08090	0.8
131.08572	1.1
133.10141	0.8
137.09627	2.7
138.09979	1.2
165.09126	2.3
166.09462	0.8
177.09085	0.7
186.37941	0.6
198.11229	0.8
199.11559	0.9
284.72598	0.7
292.20667	0.8
313.65771	0.6
361.16858	2.7
459.22000	100.0
460.22272	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	459.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	0.9
60.05644	14.2
69.34436	0.8
70.00378	1.2
70.00694	2.1
70.06591	30.6
71.04944	1.3
71.06921	3.4
72.08150	2.0
84.08143	2.9
86.09710	7.3
98.98458	4.1
101.01986	2.7
112.03565	2.0
112.08691	1.1
116.07090	8.1
117.07397	1.3
118.04619	1.1
130.04678	1.3
130.09772	3.0
132.10228	3.2
142.08281	2.5
143.14975	1.0
152.05637	3.1
154.08192	1.2
155.06650	9.9
156.05099	2.1
157.10904	1.0
157.87151	0.9
158.09248	1.8
159.10892	1.6
160.09315	1.9
160.70558	0.9
169.09360	6.8
171.10898	15.9
172.09406	4.4
173.06226	1.8
173.07713	22.7
175.11896	32.6
176.12289	11.4
182.07861	1.1
186.07361	1.6
187.10428	3.1
189.11966	13.6
197.08786	4.7
198.07246	1.7
208.10257	2.2
215.09894	24.0
216.08331	4.1
221.59915	0.9
233.10970	10.5
238.13953	11.8
250.13963	1.3
268.15045	17.5
269.14645	0.9
284.09677	1.5
286.16107	54.2
287.16360	2.1
302.10849	2.4
309.17670	1.1
310.17209	13.5
328.18289	100.0
329.18423	6.9
335.05353	0.9
346.06577	1.8
346.19324	25.2
347.19629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01110	0.2
55.01876	0.4
55.05517	0.6
56.05035	2.3
57.03428	0.9
58.06595	0.3
61.02928	0.8
63.48850	0.2
67.05503	0.7
69.03423	1.3
69.07072	6.3
69.26614	1.1
70.06593	0.7
71.05009	0.4
72.08154	1.1
73.02909	0.5
74.06086	6.1
79.05499	0.3
81.03445	0.4
81.07058	0.7
83.04967	0.3
84.08131	0.4
85.02906	7.6
86.03254	1.5
86.09708	100.0
87.04465	0.2
87.10025	1.1
91.03949	0.4
91.05478	0.5
93.07029	0.5
94.32823	0.2
95.04958	0.3
95.08595	0.4
97.02888	1.5
97.06516	0.4
98.03247	0.7
98.06052	0.9
98.09703	0.5
99.04442	0.5
99.05581	0.3
101.07138	0.3
103.03959	0.3
105.07023	0.5
107.08582	0.6
109.02888	0.5
111.08051	0.3
116.07117	0.8
119.08584	0.4
121.10217	0.3
123.08089	0.3
126.05519	6.8
127.03928	2.0
128.04236	0.8
128.10728	1.3
129.10204	0.3
131.08539	0.4
132.10205	2.9
133.10135	0.3
135.11699	0.7
143.08162	0.2
144.06592	0.5
145.04948	3.2
145.10251	0.2
146.05287	1.5
153.06628	1.2
157.13362	4.4
163.06039	1.2
164.06393	0.7
169.09753	0.3
184.62402	0.2
185.12848	4.1
187.10872	0.3
187.14381	0.5
195.11342	0.6
197.09219	5.3
201.08809	0.4
203.13922	4.7
211.14415	1.1
215.10368	2.4
215.14069	0.3
229.11984	0.3
239.13893	13.4
245.18619	2.2
257.14966	9.6
258.15121	0.2
282.18192	0.3
297.11038	0.9
300.19180	4.5
312.29050	0.3
316.22327	0.9
328.18695	7.0
328.28564	0.4
329.18961	0.4
395.20633	0.3
397.24438	0.6
399.51041	0.2
416.30103	0.2
459.16055	3.1
459.21991	1.2
460.28815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93511	0.2
52.90503	0.2
56.05037	2.0
58.06598	100.0
59.06918	0.4
67.05505	0.3
69.07085	0.2
69.27022	1.0
70.06593	0.5
72.08164	0.3
73.05309	0.8
79.05482	0.3
81.07057	0.4
82.06582	0.2
84.08149	0.4
88.07617	1.9
91.05511	0.5
93.07058	0.4
96.08085	0.3
98.09679	0.3
98.62986	0.2
105.07059	0.5
107.08591	0.2
110.09695	0.7
118.08640	2.4
120.08102	3.7
128.10709	6.0
131.08472	0.2
134.28168	0.2
136.67133	0.2
147.11711	0.2
157.10115	0.2
159.09189	0.3
166.08623	1.1
188.07047	0.4
189.12781	0.4
236.20029	0.2
254.21170	0.6
255.21506	0.8
272.22208	0.4
273.22479	0.5
330.19144	0.2
441.27866	0.3
459.28528	46.4
460.28839	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	459.286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.1
58.06602	2.0
67.05506	0.5
69.07041	0.5
69.27548	1.9
70.06586	1.1
72.08160	1.0
79.05492	0.7
81.07052	1.9
81.58929	0.4
82.06569	1.2
84.08141	0.5
86.09663	0.5
93.07047	0.7
95.07336	1.1
95.08646	0.5
97.06536	2.7
98.22695	0.8
108.08124	1.8
110.09683	14.7
120.08124	0.8
128.10718	100.0
129.11032	1.6
142.12309	0.4
186.90028	0.4
240.29477	0.4
255.21390	0.6
310.27261	0.4
315.06226	0.4
327.27121	1.1
459.28503	7.4
460.28894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
53.43008	0.4
55.05515	8.5
57.05815	1.1
63.71962	0.4
65.74742	0.4
66.92425	0.4
69.03441	0.5
70.06583	1.2
70.51463	0.5
70.51788	0.5
72.08157	100.0
73.08489	1.0
82.54890	0.4
84.04511	0.4
85.02908	1.6
86.09711	0.8
92.21931	0.5
94.92997	0.4
97.02903	1.2
118.08656	80.7
119.08997	0.8
127.03915	2.0
140.67838	0.4
145.04985	2.2
163.06015	0.5
207.48421	0.4
225.19933	0.4
239.50237	0.4
251.03255	0.4
262.26144	0.4
268.94611	1.0
297.55069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21772	0.3
53.03952	0.3
55.05506	9.0
56.89109	0.3
57.05814	1.1
69.03423	0.5
70.06584	0.5
70.72337	0.4
70.72679	0.5
72.08152	100.0
73.08501	1.1
85.02901	2.3
88.99432	0.3
94.94996	0.3
97.02898	0.9
116.07149	0.3
118.08647	88.0
119.09000	1.0
127.03921	1.9
139.92624	0.3
145.04968	1.9
145.81255	0.3
163.06023	0.4
175.11876	0.7
223.62837	0.3
230.46609	0.3
310.57703	0.3
411.89368	0.3
434.05743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47826	0.7
53.03947	2.0
55.01873	2.4
55.05510	3.3
55.24347	0.7
56.05036	1.7
57.03441	5.9
57.07073	12.5
58.06614	1.6
60.04526	4.4
61.02927	7.9
63.04183	1.3
63.04491	16.2
68.05034	2.4
69.03434	18.3
69.07068	5.5
69.66843	3.3
70.02945	1.1
70.06595	10.4
71.04997	2.9
72.08154	15.1
72.67229	0.9
73.02921	2.8
74.06065	1.8
79.05496	3.0
81.03414	6.6
81.07053	0.9
83.01328	1.4
83.06100	1.6
84.04508	10.6
84.08147	4.6
85.02904	100.0
86.09704	84.2
86.10471	1.3
87.04462	3.2
87.05580	3.5
87.10029	1.7
88.03967	0.9
91.03952	5.0
91.05473	1.2
94.06561	2.0
96.08128	29.7
97.02894	26.5
98.09679	1.0
99.04450	3.8
101.02425	0.8
101.07139	2.7
102.05548	1.7
105.07027	1.2
109.02885	7.6
110.07201	1.0
110.09685	1.0
112.08720	1.1
113.07135	0.9
114.08358	2.0
114.09167	39.1
119.10694	78.0
120.11003	1.4
127.03912	24.8
128.10709	2.7
129.10257	5.1
130.05003	15.4
132.10234	0.9
137.02422	0.8
142.12297	1.1
143.11803	1.6
145.04962	37.9
147.04485	1.1
147.07642	25.9
156.10124	1.2
161.02335	1.0
163.06015	15.9
163.07295	1.1
164.06462	0.8
171.11273	1.9
173.12851	20.0
183.11314	1.0
187.11012	0.9
189.01875	1.0
201.12375	14.9
207.02574	0.9
214.82390	0.9
228.13481	2.9
229.11829	1.0
230.07729	1.9
231.06036	0.8
242.15002	1.6
243.13522	1.0
245.18521	1.8
258.13666	0.9
260.16068	16.6
271.08252	0.9
276.14374	10.5
278.70865	0.8
280.19025	5.5
281.15976	1.6
289.08923	0.9
289.98972	0.9
298.20248	4.9
310.04675	1.2
313.22537	1.6
314.20782	2.4
323.05472	3.2
325.11273	1.4
329.18015	1.0
335.05859	0.8
341.06921	0.9
341.21783	1.6
353.06494	5.2
371.07617	1.6
395.07861	1.0
407.07452	1.3
410.77896	0.9
425.08521	2.4
443.09756	2.9
460.25372	41.7
460.30191	1.9
461.13333	2.7
461.19492	1.5
461.25580	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	460.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01880	0.8
55.05515	8.0
56.05036	3.1
56.66190	0.5
57.05825	1.0
58.06591	1.6
60.04525	2.0
61.02930	0.6
63.04507	0.6
65.26874	0.5
69.03419	1.1
69.07069	2.7
69.41280	2.5
70.02972	1.5
70.06592	7.4
70.53903	0.5
72.08156	100.0
73.08517	0.6
74.06084	6.6
79.05477	0.8
81.03420	0.9
82.43496	0.5
83.06104	3.5
84.04511	6.7
84.08157	5.0
85.02915	6.1
85.04029	6.7
86.09706	56.0
87.05589	2.8
87.10049	0.7
88.03991	10.6
95.08593	0.8
96.08136	3.7
97.02904	1.9
98.02415	1.8
98.09676	0.6
101.07160	2.6
102.05535	2.7
108.08184	0.6
109.02871	0.9
110.02393	0.6
110.07172	1.4
114.09174	3.8
115.05045	1.0
116.07047	0.8
118.45676	0.6
119.10707	2.2
120.08086	1.0
124.05146	0.6
127.03947	1.6
127.05058	9.9
128.10732	1.5
129.06595	1.0
129.10248	16.6
130.05032	2.5
132.10191	3.0
137.02393	1.0
138.09134	3.1
141.06628	0.6
141.10243	2.0
143.11809	0.9
145.04970	2.3
145.06061	19.2
147.07635	4.1
151.16354	0.5
154.08649	1.2
155.04514	1.7
155.11800	3.0
157.06108	1.1
157.09743	2.9
159.07631	0.6
163.06024	1.1
166.08650	0.5
167.04573	0.7
170.11842	0.9
173.05580	36.6
173.12865	4.3
174.05956	0.8
182.12941	3.1
183.11288	4.8
184.07202	1.3
185.05580	7.0
186.12450	1.3
187.10777	1.2
187.14503	2.0
189.01796	0.7
197.12808	1.4
198.11145	0.6
200.13940	6.8
201.12328	3.0
210.12373	0.9
211.10751	0.6
212.04709	0.5
212.06586	2.9
214.11856	0.9
215.13930	5.2
219.02657	0.6
219.13435	3.3
227.13940	0.9
228.13414	5.2
230.07719	47.6
231.06114	0.9
231.08131	0.9
231.17064	4.7
233.14978	3.1
234.10951	0.7
242.11320	0.9
242.15009	1.0
243.13409	2.7
247.13147	1.2
260.16092	2.3
276.14258	1.1
281.15814	0.7
283.13986	2.9
290.23535	0.5
298.20200	1.4
301.15079	24.3
302.15381	0.6
310.04718	1.8
310.21057	0.6
312.15515	1.2
323.05569	2.1
324.06281	0.9
325.06702	0.6
329.14563	18.6
329.18408	1.2
341.21848	0.8
353.06403	3.0
356.21942	0.6
371.07739	1.3
395.07474	1.0
407.07553	0.7
425.08694	1.7
442.26724	2.4
443.09863	2.3
460.19055	1.1
460.24799	5.2
461.13440	3.8
461.19852	1.7
461.26147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69980	1.2
55.05507	4.9
56.05028	2.4
57.03439	11.0
67.05502	12.6
69.07079	6.5
70.06573	6.1
71.04976	3.9
72.04520	2.5
72.08161	16.3
79.05502	7.7
81.07059	17.6
83.04979	3.5
83.08604	2.6
84.08133	4.4
84.08968	1.3
85.02873	2.4
85.06533	1.7
86.09719	10.7
91.05466	3.2
93.07037	9.5
94.07328	1.5
95.08591	10.3
97.06530	6.9
98.09698	18.5
99.08042	4.0
105.07018	3.5
107.08581	4.8
108.08112	1.4
109.10133	4.9
110.09655	4.7
111.09987	2.6
113.09625	2.2
115.03912	1.4
119.08595	2.5
121.10133	3.2
123.11768	1.5
126.18533	1.4
128.10715	44.0
129.11072	14.7
131.08540	10.0
133.10097	2.9
135.11682	4.3
142.12271	8.4
147.04395	1.6
201.08769	2.1
265.21725	1.9
280.26349	1.6
284.06366	4.1
294.28003	7.0
298.27390	4.1
310.27386	14.0
312.28961	24.2
328.28452	57.0
329.28516	4.2
356.28082	7.6
416.30042	15.9
460.09534	3.2
460.22906	5.5
460.28879	100.0
461.19693	21.6
461.29547	2.9
486.76477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32618	19.1
54.85272	19.3
61.18221	22.4
66.92813	22.1
69.36202	100.0
78.75915	23.6
81.07039	32.7
90.37685	20.9
91.05464	27.4
93.07044	24.2
95.08643	39.7
107.08588	37.5
107.92615	23.8
119.08546	27.0
121.10113	23.5
123.11750	27.2
135.11691	33.3
135.77525	22.7
143.63055	20.3
185.04851	25.0
257.19452	24.5
472.94464	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1576
Annotation	OSU-03012
Peak:m/z	Relative Intensity
56.05026	4.2
60.03017	3.2
63.85164	3.2
64.01942	3.4
70.06600	8.3
70.60039	3.2
71.45055	3.9
72.08151	8.6
79.05505	3.4
80.89899	3.3
81.07092	5.3
84.08135	8.7
86.02365	3.3
86.09702	12.6
87.48316	3.7
107.04941	6.7
131.08571	4.5
201.62073	3.4
443.29221	5.9
461.14948	100.0
461.20355	21.0
461.30170	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01865	12.4
55.05510	39.8
56.76957	4.1
57.03442	18.5
57.07096	3.3
65.03945	6.1
67.05502	82.6
69.03423	3.5
69.07066	31.9
69.92784	10.4
71.05007	8.8
72.06281	3.5
79.05487	71.9
81.07058	87.3
83.04977	8.8
83.08609	27.3
83.78648	3.8
85.06514	4.5
91.05479	100.0
93.07046	64.8
95.04948	17.6
95.08600	51.1
97.06522	12.7
97.10188	9.5
99.08110	4.6
102.06042	3.5
105.04507	6.8
105.07027	83.0
107.04953	14.8
107.08585	29.9
109.06521	8.1
109.10146	29.4
111.08083	11.1
115.05454	9.8
116.06316	6.0
117.07024	63.9
119.08569	49.6
121.06455	17.6
121.10133	21.3
123.08076	8.7
123.11691	5.1
128.06233	13.2
129.07011	81.1
130.07777	5.2
131.08565	93.1
133.06502	12.5
133.10123	28.9
135.08070	7.3
135.11703	13.4
137.09650	5.5
141.06996	26.8
142.07774	4.0
143.08553	66.0
145.06494	17.9
145.10109	42.4
147.08049	12.9
147.11690	9.8
149.09653	10.1
149.13228	5.6
155.08528	51.7
157.06514	8.7
157.10104	35.1
159.08083	6.5
159.11693	22.5
161.09676	6.6
163.11273	6.1
166.07761	4.6
167.08554	17.5
168.09242	4.6
169.10136	28.9
171.08151	5.6
171.11705	23.9
173.09613	7.2
173.13254	8.9
175.11139	7.9
177.12755	4.1
179.08540	12.8
181.10072	25.2
183.11662	19.1
185.13239	14.3
189.12636	4.7
193.10162	8.4
195.11710	28.4
197.13260	14.2
199.14844	9.8
201.45724	3.7
207.11694	8.3
209.13292	9.9
211.14835	8.7
213.12794	5.4
215.14317	18.5
217.50560	3.8
221.13304	19.8
223.14786	14.8
225.12779	7.8
225.16391	6.2
229.15993	4.3
233.13167	5.1
235.14832	7.9
239.14322	11.5
241.15977	8.8
243.17715	4.9
253.15872	7.4
257.15439	9.9
257.18967	3.7
271.16965	13.3
305.22736	7.2
315.21005	5.7
323.23746	18.7
326.87747	3.7
333.22055	24.1
334.22723	4.3
341.24777	16.0
351.23160	91.6
369.24277	63.2
387.25366	29.1
425.27347	4.5
443.27954	90.2
444.28259	3.9
461.28964	93.6
462.29404	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	461.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
55.07190	0.6
56.05026	1.8
56.40497	0.7
58.06599	27.8
67.05503	2.2
70.06594	1.4
72.08153	3.5
79.05495	1.5
81.07058	2.9
82.06556	1.2
83.08620	1.2
84.08150	0.7
91.05479	1.3
93.07050	1.9
95.04977	0.8
95.08595	2.3
98.09687	2.3
100.07627	1.3
100.11252	4.3
103.05452	1.0
105.07027	3.3
108.08102	0.9
110.09673	0.9
119.08590	1.5
120.08102	20.9
121.10145	0.8
122.09656	1.3
126.09201	1.3
128.07104	1.0
128.10690	0.9
131.04926	0.8
133.10139	1.3
144.10216	1.7
145.37846	0.7
166.08643	4.5
182.15388	2.1
197.65706	0.8
209.16669	0.7
210.14888	3.5
226.14417	1.3
234.22115	1.1
252.19611	1.0
260.19986	1.1
278.21121	7.9
295.23828	1.6
296.22177	9.2
314.23230	17.8
399.26477	1.2
425.28091	3.9
443.29114	4.1
452.82999	0.8
461.30090	100.0
462.30145	5.8
484.29895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14281	0.2
55.01861	0.7
57.03427	0.6
64.05096	0.2
64.53680	0.2
69.03425	0.7
70.71893	0.2
73.02908	1.8
77.03908	0.3
79.05499	3.1
79.11497	0.2
85.02903	0.8
87.04479	0.3
91.05441	0.2
94.04157	0.2
95.04972	0.5
95.57410	0.2
97.02911	1.0
103.05472	1.7
105.07033	24.4
106.07366	0.4
107.04942	0.5
115.03967	1.0
115.05460	1.1
131.04929	0.5
133.06493	100.0
134.06834	2.1
136.72708	0.2
145.04997	0.3
150.07602	0.4
194.93735	0.2
237.83427	0.2
259.08127	0.3
287.70517	0.2
295.10202	0.6
301.74081	0.3
359.03186	0.2
462.26218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30129	0.2
52.76692	0.2
55.01861	0.6
57.03429	0.9
61.02913	0.3
66.12309	0.2
68.19103	0.2
68.93826	0.2
69.03419	0.7
69.30401	1.1
73.02921	2.0
77.03930	0.5
79.05493	2.6
84.94073	0.2
85.02925	1.0
91.05476	0.3
95.04960	0.8
97.02887	0.8
103.05466	2.2
103.12196	0.2
105.07027	25.3
106.07391	0.3
107.04930	0.5
115.03944	1.0
115.05446	1.1
127.03936	0.3
131.04985	0.3
133.06490	100.0
134.06831	1.6
135.07997	0.3
143.89388	0.2
145.04990	0.3
151.51158	0.2
163.06007	0.4
163.82037	0.2
183.26056	0.2
198.09750	0.2
201.34186	0.2
259.08136	0.3
295.10178	0.4
330.13788	0.2
349.31641	0.2
364.62231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.28494	1.6
57.03436	24.5
57.30145	1.2
59.04998	3.4
60.04527	2.6
61.02919	2.5
69.03430	76.2
69.31831	3.4
69.32236	4.0
73.02925	2.9
73.04773	3.1
75.04463	2.8
81.03400	2.0
84.08138	1.7
85.02905	55.6
87.04465	59.2
91.03969	2.5
91.05483	7.4
97.02264	3.1
97.02892	62.9
99.04424	1.7
100.11237	3.0
109.02886	1.4
111.04417	1.6
115.03930	91.9
119.04943	10.5
127.03884	6.6
133.04964	100.0
133.06522	2.6
137.06007	3.7
143.04962	1.6
144.06516	1.6
144.10237	2.2
145.04939	9.2
150.07588	12.1
151.07535	70.4
152.07942	1.6
159.06523	2.4
163.07571	2.7
167.05513	3.8
169.04903	1.5
175.07552	4.5
180.08670	2.1
181.52083	1.4
220.56197	1.5
223.06114	1.6
241.07091	2.3
259.08115	3.3
296.40927	1.3
300.25232	2.4
312.25400	2.0
330.26392	3.9
342.99478	1.5
359.02792	6.3
414.04187	1.4
429.08759	4.9
432.62311	2.1
444.29126	1.8
462.26465	2.5
462.30664	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	462.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41136	3.3
53.52793	3.3
55.05500	5.0
60.05645	6.3
67.05501	13.8
69.03436	10.6
69.07076	7.6
69.57557	6.5
69.57938	6.0
70.06604	3.8
71.04993	8.0
72.08168	3.9
79.05491	10.3
80.64402	3.3
81.03410	4.6
81.07053	44.2
83.04976	16.0
85.02917	13.1
85.06554	3.6
86.09716	4.6
91.05479	12.3
93.07047	32.0
95.04980	19.1
95.08626	4.3
96.08149	3.2
97.02895	4.6
97.06530	14.0
99.04450	11.1
99.08089	18.3
105.07032	36.5
107.08587	31.0
109.02888	7.4
109.06524	38.0
117.07035	9.4
119.08591	15.1
121.06474	4.5
121.10155	20.5
125.05982	37.2
125.09649	4.2
127.03941	11.0
127.07560	8.3
129.05420	4.1
131.08583	17.2
133.06503	4.9
133.10121	5.0
135.08049	6.8
135.11726	12.2
137.05995	10.9
141.09120	10.1
143.07036	71.4
145.10123	53.8
153.09076	3.8
155.07104	3.7
159.07993	4.3
159.11728	24.9
163.11166	33.4
165.09142	6.7
169.10139	7.2
173.09624	25.0
177.12671	3.9
180.08618	4.8
187.11182	49.1
189.12746	5.7
191.10666	27.1
195.13818	15.2
205.12256	35.4
209.11746	13.0
215.10681	36.9
219.13831	13.5
223.13315	9.3
225.37965	3.7
233.11768	36.3
247.13283	16.9
251.12874	22.2
265.14301	22.1
265.21738	4.2
283.15405	100.0
310.56378	3.9
330.16339	3.8
359.02786	3.9
462.29300	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	462.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.8
57.03435	8.1
61.02933	5.0
65.54753	2.5
67.05511	9.7
69.03419	15.1
69.07070	18.9
69.18297	3.6
69.18700	10.3
71.04987	2.7
71.41102	2.0
73.02921	6.1
79.05497	26.7
81.03449	3.0
81.07061	23.8
83.04987	12.9
83.08650	2.2
85.02911	11.1
85.06551	3.4
90.28633	2.0
91.05457	16.7
93.07044	46.2
95.04971	17.8
95.08599	15.8
97.02889	12.8
97.06535	38.6
98.22700	4.3
99.04457	4.4
100.11281	5.7
105.07034	43.3
107.04960	14.3
107.08577	25.3
109.06530	20.0
109.10152	2.5
111.08076	5.6
115.03927	8.5
117.07009	9.8
119.04942	6.4
119.08585	12.4
121.06511	22.3
121.10146	4.2
125.05992	34.3
127.07557	3.0
129.06976	3.9
129.09096	2.6
130.07806	4.7
131.08548	11.7
132.76361	2.5
133.04938	5.1
133.06485	6.6
133.10120	46.1
135.08044	6.6
135.11679	17.1
137.05994	15.4
137.13298	2.8
139.07518	6.1
143.08543	8.1
144.05550	2.1
144.09348	3.9
145.04910	3.3
145.06500	6.6
145.10126	73.3
147.11716	17.2
151.07536	3.9
153.09106	8.3
157.08612	29.4
157.09932	3.8
158.07300	5.6
159.08061	8.3
159.11685	35.2
161.13254	3.7
163.11183	96.3
167.05656	3.2
169.10120	10.8
171.10236	26.0
171.11719	5.6
172.08899	2.8
173.09618	100.0
175.11363	2.4
175.21469	2.5
179.08514	4.1
181.12244	24.2
182.15363	4.1
187.11186	45.0
188.11632	2.4
191.10667	22.1
197.09604	11.1
205.12228	10.8
209.11716	3.3
209.16484	2.5
210.14984	2.8
215.10678	65.4
216.10979	3.7
219.13829	12.8
227.12801	21.1
233.11746	62.8
237.14853	4.7
240.38899	2.3
247.13289	57.7
251.12822	32.7
265.14365	39.7
266.14706	3.4
283.15335	10.8
462.28452	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	462.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.03944	1.7
53.04535	1.4
53.86219	1.3
55.01869	4.4
55.05516	6.7
57.03441	3.1
61.02924	2.8
65.03925	1.4
67.05504	9.5
68.71722	1.2
69.03435	11.5
69.07064	20.1
69.16735	8.9
71.05000	2.0
73.02905	4.8
77.03917	2.2
79.05489	28.5
80.52135	1.1
81.03401	2.4
81.07053	31.5
83.04968	10.7
83.08619	2.3
84.08156	1.3
85.02885	11.6
85.06522	3.4
86.09670	1.5
87.04464	3.1
91.05459	20.7
93.07043	51.8
95.04969	15.1
95.08600	14.9
97.02888	10.8
97.06527	41.7
98.22775	3.1
99.04443	2.3
103.05438	2.2
105.04511	2.2
105.07020	55.0
107.04937	18.8
107.08591	22.4
109.02882	1.9
109.06515	19.6
109.10172	3.8
111.08086	3.7
113.06021	1.8
115.03915	4.0
115.05410	1.9
115.07574	1.5
117.07005	11.4
119.04941	7.0
119.06133	1.6
119.08583	12.1
121.06508	23.7
121.10140	6.9
125.05985	34.0
127.03920	1.9
127.07561	2.5
128.06178	2.6
129.07008	5.5
129.09119	2.6
130.07823	6.3
131.08553	17.8
133.04980	2.8
133.06505	5.9
133.10123	100.0
134.10437	3.0
135.04420	2.7
135.08028	7.8
135.11697	12.4
137.05966	19.0
137.13242	2.6
139.07512	6.8
141.06984	2.5
143.08530	6.7
144.09322	3.2
145.04990	3.9
145.06415	6.1
145.10118	82.8
146.10468	1.8
147.08031	2.4
147.11670	20.4
149.05977	2.2
149.09659	1.8
150.07631	1.6
151.07521	6.4
153.09079	10.2
153.12790	1.7
154.07793	4.7
155.07030	2.4
155.08571	4.1
157.08594	35.3
157.09929	1.3
158.07242	8.3
159.08061	9.8
159.11690	32.1
161.09650	1.3
161.13292	4.3
163.07565	2.5
163.11174	98.5
164.11650	1.3
167.05534	1.7
169.08702	2.0
169.10129	11.2
171.07947	1.9
171.10175	33.9
171.11671	3.0
172.08836	2.2
173.09608	98.4
174.09933	1.9
175.11160	3.0
177.30299	1.5
179.08543	4.1
180.08670	2.5
181.12196	20.6
182.07320	1.8
182.93387	1.3
187.11174	49.7
188.11520	2.7
189.12639	1.6
191.10675	27.8
194.11153	1.6
197.09575	10.5
205.12248	12.8
209.11731	3.5
210.14925	1.5
215.10663	66.3
219.13789	12.9
221.15402	1.7
223.13318	1.5
227.12761	26.4
229.12224	1.9
233.11714	74.3
234.12006	3.3
237.14796	2.1
247.13290	58.0
248.13680	2.2
251.12764	35.8
262.11404	1.4
265.14349	39.2
283.15439	6.9
359.02924	3.3
381.05545	1.5
444.27393	1.6
462.18494	2.9
462.28622	4.2
462.42319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88157	2.1
55.01870	7.2
55.05508	6.2
67.05505	19.0
69.03437	10.3
69.07066	26.9
69.33372	8.9
75.04488	3.4
79.05493	38.2
80.67086	1.9
80.73569	2.0
81.03387	3.0
81.07059	30.6
83.04999	14.9
83.08639	3.1
85.02900	6.3
85.06538	5.2
91.05458	22.6
93.07047	84.1
95.04967	28.5
95.08593	7.9
97.02882	4.5
97.06531	58.8
98.23425	4.8
99.04483	2.4
99.08074	3.5
105.04552	2.6
105.07027	57.6
107.04950	17.7
107.08595	28.7
109.06516	33.4
109.10123	2.3
111.08072	8.6
113.05946	2.2
117.07020	14.4
119.04911	4.0
119.08558	12.7
121.06503	39.8
121.10118	3.5
123.08066	5.6
125.05986	47.5
127.03845	2.3
127.07543	3.6
128.06186	3.1
129.07008	6.2
129.09085	3.3
130.07732	2.8
131.04921	2.1
131.08549	21.9
133.06491	6.6
133.10136	9.1
135.08136	2.8
135.11713	4.5
137.05940	13.3
139.07561	16.2
140.34541	2.2
141.06992	3.6
141.09116	2.6
143.08524	9.2
144.09351	4.5
145.06497	12.5
145.10129	100.0
147.08040	5.7
147.11684	12.5
151.07561	15.1
152.07874	2.1
153.09096	31.3
154.07751	2.2
155.08607	2.7
157.08611	30.1
158.07257	7.7
159.08035	12.4
159.11699	62.9
161.09637	3.9
161.13231	4.6
163.11172	64.0
169.10181	16.7
171.10175	98.4
171.11668	5.7
172.08859	5.2
173.09618	71.4
174.79134	2.5
177.12749	3.6
187.11177	81.0
188.11456	2.4
189.12717	4.4
191.10677	20.3
193.59839	2.1
197.09605	9.4
205.12241	24.4
215.10670	98.3
216.11040	2.4
219.13811	34.1
233.11743	36.9
237.14828	15.9
247.13301	37.7
251.12811	32.3
265.14352	90.2
266.14618	3.0
283.15341	36.7
344.99408	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	462.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47501	0.5
55.05490	0.8
56.05004	1.7
57.58588	0.4
58.06600	21.9
58.06871	0.8
60.24035	0.4
62.55859	0.4
67.05507	2.1
69.03413	0.5
69.07036	1.1
70.06549	1.2
71.04973	0.4
72.08157	2.5
73.04721	1.0
76.52011	0.4
79.05437	1.2
81.07002	1.1
82.06551	1.0
83.08575	0.6
84.07674	0.5
84.08138	5.7
86.06025	1.3
88.07587	1.0
91.05736	1.3
93.07007	1.3
95.04913	0.5
95.08567	1.3
96.08131	2.4
98.04786	0.4
98.09653	1.5
100.07559	1.2
108.08117	7.3
110.09667	2.5
119.08503	0.5
119.55768	0.4
124.11213	0.5
126.04714	0.4
126.09150	13.2
128.10677	1.9
130.08606	0.5
141.27020	0.5
144.10197	55.1
145.10524	0.8
160.13405	0.5
167.05531	1.1
188.12845	0.6
210.18631	0.6
215.63008	0.4
225.04330	0.5
250.21677	0.8
276.23108	1.0
278.24716	0.9
280.74020	0.4
294.24310	4.2
296.25781	5.5
312.25323	14.6
313.25500	0.8
314.26874	25.8
314.46558	0.5
315.27310	0.8
330.26367	100.0
331.26654	2.6
340.24936	1.0
358.25934	4.2
359.02740	2.0
376.26910	1.9
418.28003	15.9
419.28406	1.0
429.08926	0.5
439.71542	0.5
462.26978	94.6
463.27356	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	462.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26174	0.3
53.91876	0.3
55.01843	1.0
55.05487	0.9
56.05009	1.1
57.03437	2.8
58.06581	0.6
60.04499	0.5
61.02900	0.8
67.05499	2.0
69.03428	2.6
69.07069	19.6
70.06604	2.7
70.07381	0.4
71.04980	0.5
71.07330	0.3
71.21400	0.3
71.44415	0.3
72.04453	0.5
72.08154	7.2
73.02886	0.3
73.04713	0.6
73.06563	2.8
79.05493	6.5
81.03425	2.0
81.07053	2.2
82.06560	0.4
82.37547	0.3
84.04494	0.7
84.08139	1.9
85.02905	3.1
85.08921	0.7
86.09705	7.3
87.10002	1.2
88.03971	0.5
91.03936	0.3
91.05416	2.3
93.07039	2.6
93.42793	0.4
95.04939	0.7
95.08610	1.9
96.08090	0.9
97.02895	1.7
97.06534	8.8
98.09695	11.3
99.08048	1.1
104.05269	0.8
105.07021	2.1
107.04919	0.4
107.08543	0.9
109.02859	0.6
110.07127	0.4
110.09639	0.6
113.09624	0.4
114.09114	1.0
115.07598	1.8
116.07061	0.7
117.06963	1.3
119.08595	1.8
120.08102	2.5
121.06472	1.4
121.10100	0.4
124.11185	1.1
125.05135	0.6
125.05994	9.4
127.03876	0.6
128.10681	1.0
129.10211	1.0
131.08521	1.1
133.10126	4.4
134.61403	0.3
135.08015	0.4
137.05968	0.5
139.07532	0.8
142.11194	0.5
142.12279	9.6
143.07037	14.9
145.10117	1.0
147.04384	0.8
149.09601	0.5
159.09181	0.3
161.08067	2.1
161.09396	0.5
165.10286	0.4
167.05513	0.4
173.13269	2.6
179.10756	0.3
187.10703	0.6
191.14282	0.5
201.12697	0.8
201.93639	0.3
219.13640	0.7
237.14819	0.5
238.21629	0.5
264.19614	1.6
267.07602	0.3
276.13470	1.1
282.20651	8.4
300.21689	100.0
301.22052	2.7
347.17175	0.5
359.02902	0.7
403.14975	0.4
429.08783	0.4
444.26205	0.7
462.26984	90.1
463.17795	1.0
463.27380	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
75.62852	0.1
85.02850	0.1
92.79440	0.1
103.03925	0.2
109.29504	0.1
121.10265	0.1
147.04495	0.1
153.01756	0.5
229.04936	0.1
258.05231	14.3
259.05527	0.4
269.04431	0.1
286.04706	35.2
287.05069	1.0
301.07056	100.0
302.07385	3.1
463.12524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
52.66167	0.4
55.01815	0.6
55.02031	0.4
57.03365	0.7
58.76910	0.3
61.02835	0.8
61.03125	0.3
67.05424	0.7
69.03322	0.5
70.06486	1.6
70.52777	0.4
70.53120	0.7
72.08047	1.1
72.48543	0.3
79.05422	0.9
81.03358	0.7
81.06936	1.3
83.04889	0.4
84.04433	0.3
84.08046	0.4
85.02795	1.9
86.09589	1.7
87.71806	0.3
91.05374	0.7
93.06959	0.6
95.08546	0.8
97.02797	0.6
97.06461	0.7
97.09065	0.4
98.09576	1.2
103.03833	0.5
105.06941	0.3
107.08495	0.5
109.02757	1.4
109.06451	0.4
109.10117	0.4
111.04305	0.4
111.08039	0.4
119.08492	0.4
120.07999	0.8
120.08804	0.4
121.02728	1.1
123.00751	0.4
127.03769	0.5
128.10622	0.6
133.02690	0.4
135.11563	0.5
137.02185	0.6
141.01704	1.0
142.12190	0.7
145.10034	0.5
147.11589	0.5
149.02180	0.4
149.05975	2.2
151.03914	5.5
151.04990	0.7
158.92043	0.4
163.03806	0.9
163.11133	0.6
165.01839	10.5
167.03281	1.4
175.03798	1.5
177.01715	0.8
177.05376	0.6
183.02852	2.3
187.03801	0.8
189.01695	0.6
191.03271	1.1
195.02811	1.4
203.03220	0.5
205.04948	1.0
205.77246	0.4
215.03381	0.6
217.04848	0.5
227.12665	0.5
229.05046	0.7
233.04454	0.7
243.02873	0.7
243.06422	1.0
249.39667	0.4
254.05760	0.5
257.04446	0.6
258.05222	0.5
259.05890	0.8
261.03806	0.7
264.23087	0.4
268.07321	1.6
270.05182	3.0
271.05887	2.2
272.06717	0.5
282.05264	3.7
282.24362	0.5
283.15326	0.5
285.07581	0.8
286.04819	2.0
292.07297	0.5
294.05130	0.4
295.05960	0.8
296.06793	13.4
297.07498	3.3
298.04703	18.8
299.05307	1.8
300.06219	5.1
301.07089	5.3
301.16183	0.6
307.05795	0.5
308.06757	1.1
309.07462	1.6
310.04651	3.6
310.08353	4.5
311.05450	1.1
311.09048	6.4
312.06290	1.9
313.07040	100.0
314.07620	8.1
320.06723	1.7
321.07565	1.5
322.04596	0.6
323.05399	0.8
324.06287	14.9
325.07147	6.7
325.10779	1.5
326.07587	0.7
327.04999	0.6
327.08496	3.0
328.05765	12.2
329.06036	0.6
335.09186	1.2
336.06216	2.2
337.06934	2.0
338.07788	7.2
339.05020	1.2
339.08606	22.6
340.09030	1.0
341.06586	1.0
343.08109	55.4
344.08475	2.3
348.06421	2.0
349.07098	1.6
350.07727	0.7
351.08514	2.0
352.05539	1.7
353.06625	0.5
353.10196	14.7
354.10507	0.8
355.08020	1.4
361.07257	0.5
363.08505	2.2
364.05624	1.9
366.07217	0.9
367.08105	64.2
368.08380	3.2
373.09442	0.5
376.05685	2.0
379.08087	11.5
380.08298	0.7
381.09668	2.5
391.08078	6.9
392.08704	0.5
394.06705	1.7
397.09186	27.0
398.09558	1.5
409.09171	16.7
410.09497	0.8
417.09695	0.6
427.10233	20.8
428.10724	1.0
445.11310	16.5
446.11902	1.2
463.12372	17.0
463.32361	7.1
464.12665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
50.60220	0.9
55.01900	0.9
55.05507	8.5
56.05036	1.3
56.79023	0.8
58.06606	1.2
63.14486	0.9
67.05493	1.6
69.03426	2.5
69.07075	1.7
70.06593	7.9
70.61398	1.3
72.08150	11.1
79.01860	1.8
79.05518	1.4
79.56329	0.9
81.03423	1.9
81.07067	2.0
82.06596	1.7
83.04967	1.4
83.08617	5.2
84.08092	0.9
85.02905	4.0
86.09701	7.1
87.04492	1.4
91.05468	1.1
93.07046	1.9
95.08609	1.7
97.02898	2.8
97.06538	1.7
98.09734	1.2
99.04513	1.2
100.07637	1.9
100.11257	28.4
101.11601	1.5
103.15279	0.9
104.05346	2.2
111.04449	3.9
111.08195	0.9
112.07635	1.3
115.03961	1.9
117.13907	1.7
119.04984	0.9
120.08135	3.0
121.02879	2.4
127.03941	0.9
128.07083	2.2
128.10777	2.0
133.04987	2.2
133.10194	0.9
137.02301	5.8
141.11414	1.1
143.04948	0.9
147.04428	0.9
149.05997	1.0
151.03920	13.3
151.05031	1.8
165.01837	2.9
171.14964	2.6
175.03914	2.4
177.01935	1.6
182.15405	11.7
183.15764	2.1
189.05458	1.2
191.03448	1.2
199.14433	2.3
199.96744	1.1
203.03409	2.5
209.16498	6.0
210.14877	10.7
210.16721	0.8
211.15355	2.7
213.17850	1.4
216.04218	1.1
217.05009	4.3
227.17619	2.0
228.16040	1.8
229.15529	1.8
243.02982	1.7
243.06432	4.9
244.07245	1.1
245.18700	1.5
251.13556	1.2
258.05173	1.3
259.06113	1.6
261.04056	2.8
265.15448	1.6
270.05344	3.2
271.06100	2.8
272.06848	5.0
276.72888	2.8
283.06308	1.2
284.06870	4.2
285.07751	3.6
286.04987	2.2
286.08438	3.1
295.06168	2.1
296.06970	3.5
298.04730	15.0
299.05374	5.2
300.06317	7.8
301.07098	5.5
308.06696	1.2
309.07675	2.9
310.04828	3.2
310.08398	3.4
311.05539	7.2
312.06253	11.3
313.07062	72.9
314.07782	18.2
315.08398	0.9
321.07709	6.0
324.06305	8.5
325.07089	10.0
326.27905	1.3
327.05170	0.7
327.08646	15.9
328.05701	18.6
329.06851	1.0
335.09143	1.9
336.22916	1.0
337.07050	2.2
338.07745	10.0
339.08487	4.2
340.05902	2.0
340.26190	2.2
341.06613	3.0
343.08133	75.7
343.30872	2.6
344.08429	2.8
346.96240	0.9
347.09183	1.1
349.07281	3.1
350.20557	1.8
351.08646	2.6
352.05795	4.9
353.06168	1.6
353.10211	16.8
355.08237	3.3
357.09689	1.4
360.02652	1.1
366.07364	1.3
366.23917	2.2
367.08109	34.9
368.08804	1.9
373.09149	8.4
379.08310	2.3
381.09683	5.6
385.09076	2.0
389.10593	1.2
389.81207	6.8
390.31476	3.4
390.81689	1.1
391.08069	1.1
397.09134	11.8
398.32651	1.4
409.09103	8.1
427.10257	21.9
435.11038	1.4
445.11322	44.3
446.11649	2.1
452.36139	1.4
453.34244	4.9
453.84720	2.3
454.34314	1.4
462.35004	2.3
462.85037	3.1
463.12338	100.0
463.29120	9.1
464.12476	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	463.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41603	0.5
55.05509	0.7
56.05024	1.3
56.51324	0.5
63.46396	0.3
67.05502	0.8
69.03419	0.4
69.07056	0.6
69.33060	2.2
70.06593	1.1
72.08154	0.8
73.04756	0.5
79.05465	0.7
81.03399	0.6
81.07050	1.1
84.04500	0.4
84.08141	49.3
85.02900	0.9
85.08466	0.4
86.09705	25.9
87.10049	0.6
91.05479	1.6
93.07061	2.0
95.04952	0.9
95.08601	0.9
96.07996	0.4
97.02887	0.4
97.06493	0.6
98.09658	0.5
103.04858	0.4
103.05482	4.3
105.07074	0.7
109.02893	0.5
109.06534	0.5
109.10117	0.6
111.09199	0.7
119.08603	0.7
120.08102	100.0
121.08448	1.6
127.03959	0.4
128.10718	9.1
129.10239	17.0
133.10147	1.3
144.10196	33.5
145.10313	0.5
147.06741	0.5
147.11676	0.5
148.07568	0.9
156.10217	1.0
159.11722	0.5
161.12856	26.8
202.08667	0.5
255.11220	0.9
258.05225	6.6
259.05295	0.5
269.12805	0.7
270.13699	0.6
276.17072	2.4
283.10715	0.4
285.15903	1.4
286.04706	16.3
287.05399	2.8
301.07059	41.1
302.07483	2.9
303.17105	1.2
308.19662	19.9
309.20038	0.8
313.07211	0.5
322.09235	1.5
430.08591	0.5
445.28110	0.9
463.12180	7.6
463.20279	1.7
463.29111	59.9
464.12570	0.9
464.29538	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	463.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
95.10138	2.6
171.37756	2.3
293.39862	2.5
362.43640	2.9
386.98618	2.5
394.74512	2.3
445.29297	58.0
446.29626	4.7
463.30386	100.0
463.37061	4.2
464.30789	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	463.3033
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
50.70368	1.4
56.14288	1.2
63.50797	1.5
69.32329	7.0
70.26680	1.2
73.84031	1.4
74.46468	1.2
78.78237	1.3
87.57505	1.4
98.22697	2.8
121.27199	1.2
150.63103	1.2
171.28810	1.2
186.70554	1.5
236.89409	1.4
272.55707	1.3
290.79202	1.6
445.22952	2.7
445.29199	50.5
446.29797	2.1
463.30286	100.0
464.30533	6.0
468.02441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	5.7
57.03437	22.2
58.92910	2.5
69.03439	11.0
69.75179	9.3
70.06592	33.7
71.04985	7.4
72.08144	7.3
73.02909	17.8
73.04737	6.6
75.04476	100.0
79.19999	2.2
81.03403	2.6
83.04986	10.2
84.08136	10.1
84.26481	2.2
85.02904	39.8
86.09690	7.6
88.08739	6.1
91.05790	8.1
91.53085	2.0
95.04967	23.0
97.02885	8.3
99.04431	2.3
101.06029	3.7
105.06980	3.6
108.08142	4.8
111.04438	7.6
112.08726	6.0
115.08687	4.7
120.08109	14.9
121.02859	20.4
122.09636	3.3
124.11118	2.4
126.09151	14.3
127.03932	8.8
129.05463	20.6
129.10245	3.0
139.03896	93.0
140.04131	2.2
142.12265	3.1
144.10204	18.9
145.04945	10.8
147.06493	7.7
154.09698	3.9
163.06035	5.2
164.09178	7.0
167.05511	3.3
169.10852	9.2
177.10172	2.3
180.08873	2.5
190.97458	2.2
229.07123	2.4
243.41612	2.6
246.74403	2.2
273.63181	2.6
283.08463	3.6
286.20151	4.6
302.19580	6.0
306.15338	11.9
361.02551	7.0
419.20172	3.1
431.08447	3.7
464.25793	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03756	1.0
55.01872	2.5
57.03436	5.3
58.06590	1.9
61.02922	6.1
64.64049	1.2
69.03109	1.6
69.03432	15.1
70.06582	3.0
71.04984	2.5
72.08151	1.2
73.02908	4.1
75.04456	1.0
75.10011	1.0
81.03416	4.6
84.08115	1.2
85.02903	100.0
86.09714	1.8
87.04463	1.9
91.03954	4.3
91.05789	2.1
95.30491	1.1
97.02888	25.2
99.04449	2.4
103.05456	3.0
105.07037	7.1
109.02881	8.3
120.08137	1.1
127.03912	24.1
127.04800	0.8
128.10695	1.3
131.04918	4.7
131.37863	1.3
135.72304	1.2
145.04955	50.0
163.06033	24.0
163.07478	3.2
231.10112	2.2
249.11287	1.7
285.13281	3.8
302.23215	1.9
320.16223	1.1
325.11252	2.3
464.23581	3.0
464.28735	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	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	1.3
55.05525	0.3
56.05027	0.4
57.03439	1.8
61.02930	2.8
67.05473	0.3
67.63165	0.3
69.03431	5.9
69.70164	0.7
69.70518	0.5
70.06601	1.7
71.04996	0.8
72.08148	1.5
73.02908	1.3
76.06879	0.3
79.05495	3.0
81.03423	2.6
81.07049	0.4
82.52379	0.3
84.04503	1.2
84.08141	0.8
85.02907	29.3
86.09718	3.3
87.04463	0.7
91.03963	1.6
91.05473	0.8
95.04958	1.6
95.08589	0.4
97.02898	15.0
98.22748	0.5
99.04434	1.3
103.03955	0.4
103.05463	2.3
105.07033	100.0
106.07383	1.9
107.04943	0.3
107.07918	0.6
107.08594	6.3
109.02874	3.0
115.03953	2.0
119.04930	0.5
119.08575	3.0
120.08129	4.1
121.02888	1.0
122.03201	0.5
125.48427	0.3
127.03916	8.2
129.10249	0.8
130.05040	0.8
131.04935	1.7
131.08575	1.3
142.07663	0.4
143.08537	1.5
144.06564	0.4
145.04964	15.2
146.05342	0.4
147.08075	2.8
153.05566	0.5
157.10117	0.6
159.08066	1.2
161.04498	1.7
161.09666	0.3
163.06047	7.2
163.07532	1.3
167.08600	0.4
171.08040	1.1
183.08057	0.5
185.09561	0.7
186.13374	0.3
189.09087	0.7
203.03488	0.6
203.10620	0.5
204.03763	0.4
213.09120	0.6
231.10187	2.1
249.11218	2.3
267.12088	1.1
289.09238	0.4
294.14368	0.5
302.23331	0.7
302.26877	0.4
308.06427	0.5
309.07346	0.5
321.07822	0.5
322.07895	1.7
325.11380	0.5
334.07953	0.4
350.07333	0.8
362.07355	0.7
362.11334	0.5
380.08411	1.1
390.10480	0.4
418.10175	0.6
446.09464	0.9
464.10657	5.7
464.25690	0.5
465.11771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
54.54854	0.7
55.01860	1.5
55.05511	11.0
57.07067	1.3
65.03934	0.8
67.05502	14.7
69.07069	5.6
69.30386	3.3
70.06585	1.6
79.02543	0.9
79.05496	14.1
81.07056	27.2
83.04978	0.9
83.08621	8.0
85.06527	2.1
90.05659	0.7
91.04935	1.3
91.05477	14.6
93.07040	21.6
93.07603	1.4
95.04932	1.8
95.08013	1.7
95.08608	24.7
97.06535	1.1
97.10142	1.5
98.98442	0.7
105.04528	1.1
105.07034	21.5
107.08599	25.5
108.01189	7.7
109.06518	1.2
109.10160	14.5
111.08067	0.9
117.07021	2.7
119.08586	18.9
121.10149	20.2
123.08066	1.4
123.11731	3.0
125.09644	1.3
126.02217	96.0
129.07008	1.9
131.08571	9.1
133.10130	23.0
133.26285	0.8
135.08055	1.1
135.11697	13.8
137.09647	2.2
142.07811	0.9
143.08543	2.5
145.10127	15.9
147.11684	17.8
149.09645	2.0
149.13248	10.6
155.08562	2.1
157.10143	3.4
158.36577	0.8
159.11705	12.8
160.12172	1.1
161.13258	15.1
163.11140	5.2
163.14787	4.0
169.10104	1.6
171.11760	2.8
173.09605	0.8
173.13232	5.6
175.11153	4.1
175.14810	13.3
177.12776	6.0
181.08719	0.8
183.11699	2.0
185.13249	7.1
187.14807	7.2
189.12773	3.0
189.16391	9.7
191.14343	1.5
197.13235	2.6
199.14763	4.5
201.12720	0.9
201.16397	28.0
203.14325	1.5
203.17989	4.2
208.06396	18.2
211.14804	4.1
213.16405	3.0
215.17943	21.9
216.18356	1.2
217.15910	1.2
217.19566	1.6
222.07924	2.1
225.16383	2.3
227.17957	1.7
229.15927	4.2
229.19472	3.8
231.17622	0.9
234.07996	1.0
239.17963	3.1
241.19597	1.2
243.17513	2.6
243.21089	3.3
248.09488	1.2
252.15715	0.9
257.18967	2.4
262.11133	3.6
274.11057	1.5
276.12643	3.2
279.21072	1.0
288.12570	4.6
290.14081	0.9
293.33630	0.8
297.25800	1.7
300.12552	2.0
302.14252	3.7
314.14285	2.8
316.15631	1.4
321.25739	13.2
328.15903	2.1
330.17447	1.2
339.22717	1.4
339.26819	26.1
339.30780	1.6
340.27213	1.6
342.17392	2.2
344.29694	1.4
354.17407	2.2
356.18814	2.3
368.18771	2.8
382.20538	5.0
464.28406	100.0
465.28778	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	464.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.7
55.01818	0.7
55.05451	1.5
56.04988	0.9
57.03371	6.8
61.02886	1.1
66.53482	0.5
67.05493	2.9
69.03357	5.6
69.06998	5.4
70.06518	4.9
71.04919	1.4
71.43398	0.5
72.04465	0.8
72.08080	7.3
73.02843	1.2
79.05412	4.2
81.03329	1.5
81.07053	12.0
83.04924	1.0
84.04476	1.0
84.08143	4.5
85.02909	7.3
85.06470	1.0
86.09626	2.6
87.04415	1.0
91.03905	0.8
91.05406	2.4
93.06963	2.4
95.04929	1.3
95.08604	4.0
97.02892	4.0
97.06538	5.1
98.09694	12.7
99.04388	1.1
99.08088	4.6
102.09113	0.6
105.06958	2.0
107.08590	3.4
109.02826	1.2
109.06432	1.7
109.10072	0.6
110.07101	0.6
111.07980	1.1
113.09563	2.3
115.07520	0.8
117.06937	1.0
119.08492	2.4
120.08107	4.4
121.10072	2.2
123.08083	2.8
124.11212	0.6
125.09576	0.7
127.03821	2.2
127.07535	3.4
129.10159	2.4
131.04839	0.8
131.08499	1.3
133.10028	1.5
135.07983	0.7
135.69739	0.5
137.09628	0.8
141.42766	0.5
142.12288	7.5
143.07034	1.0
143.08447	1.2
145.04916	1.0
145.08548	1.1
145.10031	1.5
147.11661	2.7
149.09537	2.0
153.09116	0.8
158.11794	2.9
159.11658	0.6
161.13202	0.8
163.11108	1.1
165.12686	1.2
175.14757	1.4
185.13193	1.4
203.14212	2.4
221.15338	1.9
231.09857	0.6
239.16327	1.2
264.66687	0.5
266.21249	0.7
267.11270	2.8
284.22177	10.9
285.12329	2.4
300.21570	0.8
302.23236	86.2
303.13364	2.3
303.20676	0.5
303.23544	3.5
376.57178	0.6
439.93719	0.6
446.27664	1.4
464.28635	100.0
465.18567	0.7
465.28979	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	465.206
Annotation	Chloronectrin
Peak:m/z	Relative Intensity
55.01876	3.9
55.05516	6.5
56.96730	3.2
58.99593	6.2
62.98260	4.9
67.05495	7.8
69.07065	10.5
70.57187	6.3
74.81389	2.8
79.05495	6.1
80.94850	3.9
81.07039	7.9
86.99081	3.7
91.05472	6.4
93.07055	5.1
105.07007	4.4
112.02148	5.1
116.01701	9.7
126.03756	8.6
126.30419	2.9
138.03688	9.2
139.04564	3.4
150.03702	9.4
152.01747	4.7
152.05287	4.9
164.01688	7.3
166.03244	8.0
176.05289	3.6
178.03220	9.5
189.13910	3.2
194.10014	3.9
202.82951	3.4
206.10008	3.6
220.11462	7.6
234.09406	3.9
236.11064	11.4
248.11070	16.1
254.12076	6.8
264.10568	9.9
266.12122	7.0
276.10403	10.5
292.16135	3.2
294.11618	7.1
311.14288	3.5
318.15210	3.7
324.26019	5.4
336.16489	3.5
339.13803	4.0
344.16791	16.7
351.13654	9.2
355.13351	4.3
362.17682	11.6
367.13257	4.1
372.16318	5.3
383.12180	4.4
397.13214	3.9
401.19104	3.7
410.42371	3.7
419.20029	23.1
437.20795	6.4
447.19528	100.0
448.19690	5.5
465.11179	7.4
465.20541	87.9
466.20889	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	465.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69390	0.5
53.03942	3.6
55.01876	1.2
55.05508	3.3
56.32536	0.6
56.96555	0.6
57.03438	2.5
58.80500	0.5
61.02937	2.7
61.40195	0.5
67.05502	8.8
69.03433	11.6
69.07067	1.2
70.06566	1.3
71.04992	24.1
72.08150	2.4
73.02912	1.4
79.05501	2.8
81.03422	13.2
81.07059	23.7
83.04978	1.1
83.08604	0.6
84.08099	0.6
85.02907	74.2
85.06549	1.7
86.09702	1.8
87.04469	0.9
91.05460	1.1
93.07041	2.2
95.04973	1.0
95.08614	2.3
97.02894	18.3
97.06522	1.1
97.10167	0.8
98.97583	1.0
99.04456	41.2
99.08097	8.3
100.04704	0.7
103.03942	97.0
104.04265	1.1
105.07019	1.2
107.08644	0.9
109.02875	16.0
109.06506	0.7
109.10147	1.1
115.03946	1.6
116.98637	0.6
119.08551	0.7
120.08138	1.7
121.10139	1.0
123.08047	0.7
123.11707	6.3
125.09589	0.6
126.82751	0.7
127.03915	100.0
128.04253	1.6
128.10721	1.2
128.77899	0.7
129.07053	0.6
135.11732	1.0
138.02756	0.6
141.12743	15.5
145.04961	59.9
148.47673	0.5
151.07552	1.0
151.11151	0.9
153.01865	0.6
153.12683	0.9
159.13809	5.2
163.06015	43.5
164.06392	0.8
166.05090	0.8
169.05017	0.8
169.12184	1.2
170.32059	0.7
181.12199	0.9
181.99907	0.6
184.83717	0.6
187.05994	6.9
187.07391	0.9
193.19398	0.6
205.07088	5.4
231.13695	0.8
249.14819	1.7
253.07104	1.0
258.05252	3.2
259.05545	2.5
260.05865	4.6
267.15811	0.6
271.08099	5.0
285.12323	5.7
285.15704	0.8
285.16385	0.7
286.04694	7.4
287.05066	8.0
288.05292	9.4
289.09183	3.0
301.07053	17.7
302.07416	19.4
303.07629	37.4
303.12756	3.7
303.16806	0.9
304.07782	1.4
307.10165	5.8
309.17023	1.3
321.10086	0.8
327.17926	2.4
363.10846	1.4
367.21048	0.8
378.13284	0.6
393.18469	0.9
411.20142	0.9
436.01865	0.8
447.14111	0.7
465.19940	0.7
465.27487	1.0
466.23303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2339
Annotation	Codonocarpine
Peak:m/z	Relative Intensity
55.01870	0.8
55.05509	2.8
56.05036	0.7
58.06592	0.9
67.05502	0.5
69.03443	0.5
69.55682	0.2
70.06586	1.4
71.04979	0.4
71.46227	0.3
72.08153	6.5
74.45981	0.3
79.05478	0.2
81.03383	0.3
81.07063	0.4
84.04488	0.3
84.08140	2.0
85.02904	0.9
86.09715	1.0
91.05483	0.3
95.04982	0.4
95.08596	0.3
95.73199	0.2
98.06054	5.6
98.06698	0.3
98.09719	0.3
99.04476	0.5
101.07105	0.5
103.03951	0.7
103.05468	0.4
104.10709	0.3
107.08591	0.3
109.02847	0.3
110.09670	0.5
112.11253	1.0
113.07121	3.8
115.05438	1.4
115.08662	0.5
117.07037	0.8
119.04941	0.3
120.08123	0.8
121.06541	0.3
123.04435	0.5
124.05212	0.6
127.03913	0.9
127.08652	1.8
128.10687	0.4
131.04922	0.3
134.03664	0.3
135.04443	0.7
137.05978	2.2
141.10223	0.6
141.12984	0.2
143.04906	4.0
143.05908	0.4
145.04973	0.6
145.06468	1.1
147.04395	0.6
149.05984	1.0
150.06770	3.8
151.03951	0.8
153.10229	0.6
155.11784	13.9
156.12108	0.3
157.06500	0.3
159.04471	0.5
163.06078	0.5
168.14388	0.2
170.03632	0.2
170.06029	0.7
171.04401	11.9
172.04762	0.3
172.14435	3.4
173.06020	0.5
178.07803	0.4
179.08578	1.4
181.06519	0.3
187.03902	0.6
189.06973	1.4
190.07716	0.4
194.06929	0.3
197.05954	0.3
198.12354	3.2
198.13960	0.3
205.06544	1.0
206.07330	1.1
206.11754	0.5
207.08037	8.5
209.09685	0.3
217.06436	2.1
218.07280	0.9
219.08051	0.5
221.05959	1.3
221.09630	0.5
222.06804	0.4
228.10170	0.4
233.06009	1.5
234.06757	3.3
235.07523	11.9
236.08282	0.9
237.09137	0.5
239.10745	0.4
244.09726	1.1
245.06065	0.8
247.07622	0.3
249.09106	1.7
250.06235	0.4
251.07132	0.3
252.07828	1.5
253.08659	0.7
254.09308	0.6
255.10236	0.3
260.04596	0.3
261.05551	0.9
262.06238	2.9
262.08789	0.5
263.07059	5.3
264.07739	0.8
265.04794	0.3
265.05792	0.3
265.08533	2.0
267.10104	2.5
269.11646	1.1
269.17581	0.3
277.08597	16.1
278.05789	0.6
278.08878	0.4
279.06534	0.4
280.07306	1.0
285.51086	0.2
289.04953	0.5
292.09637	0.2
293.08063	2.2
294.11356	0.4
295.09619	15.0
296.09860	0.5
303.06482	0.6
304.24762	0.6
320.09079	0.7
321.07547	4.9
322.14374	0.3
336.12277	2.1
336.16190	0.3
337.13016	0.6
350.13913	1.0
352.15405	18.0
353.15750	0.6
362.10175	0.3
377.14960	0.3
378.13336	6.8
379.13498	0.4
448.22089	0.5
449.20718	1.8
466.23352	100.0
467.23773	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	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.8
59.04979	2.0
67.05508	41.3
69.07072	4.9
69.92805	2.2
69.93162	4.3
71.04993	2.1
77.37784	1.4
79.05499	16.4
81.07059	32.9
83.04995	2.0
83.08613	8.3
85.06560	3.5
87.00842	2.2
90.65523	1.4
91.05480	9.2
93.07045	24.7
95.08604	50.1
97.06532	3.8
97.10176	4.7
98.23427	1.7
105.07028	7.1
107.08593	17.5
107.81918	1.5
109.10155	28.8
111.08083	5.0
117.07044	2.4
119.08598	11.1
121.10135	36.0
123.08036	3.6
123.11732	4.5
125.09605	3.4
131.08582	7.0
133.10117	8.7
135.11688	30.2
137.09624	4.3
137.13193	1.9
139.11165	2.3
143.10660	2.1
145.10117	7.2
147.11679	6.7
149.09610	2.3
149.13266	4.8
151.11189	3.8
159.11719	2.3
161.13284	3.1
163.11212	2.1
171.11729	2.2
173.11737	4.7
185.13181	2.2
203.12827	5.1
217.19537	7.7
227.18040	8.4
235.20544	26.0
245.19046	16.9
263.20062	50.2
273.18478	4.9
281.21103	100.0
282.21442	4.9
291.19455	10.0
299.22159	12.6
323.22235	3.3
329.15771	1.6
345.13541	2.2
350.76492	1.6
351.21637	2.7
359.18317	1.9
367.21225	3.5
377.19492	7.0
395.20648	51.8
395.25815	3.3
396.20978	1.8
413.21719	4.3
431.64844	1.5
446.56454	1.4
457.31116	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03411	4.9
57.07042	3.1
64.37303	2.7
67.05499	3.4
67.07117	3.1
69.03439	18.7
69.85464	7.6
69.85793	4.1
71.69693	3.3
74.45007	3.2
79.05506	9.0
80.78121	2.7
81.07056	100.0
81.33748	3.1
85.02895	15.9
87.04459	18.3
94.00445	2.8
95.08619	24.4
97.02885	19.3
100.11263	9.4
108.07475	2.8
108.72428	3.1
115.03929	35.3
127.03871	4.3
129.46085	3.1
133.04964	40.2
137.13228	25.7
142.44450	2.9
145.04980	4.4
150.07573	6.8
152.95761	3.0
158.66621	3.2
210.14952	4.0
268.25192	3.4
297.67755	3.4
302.67126	3.2
347.06699	3.3
407.17139	3.8
458.04733	3.2
462.64474	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04993	1.3
57.03403	0.6
58.06602	11.7
58.63202	0.4
65.16920	0.4
68.35086	0.4
69.03381	1.4
69.71938	1.1
70.06602	2.5
72.08147	2.9
74.68304	0.4
79.05441	0.6
81.03339	0.5
81.07011	1.5
82.06559	0.8
84.04458	1.1
84.07684	0.4
84.08133	4.5
85.02853	1.8
86.06026	0.8
86.09691	0.7
87.92232	0.4
88.07592	0.9
91.05441	0.5
93.07047	0.4
95.04914	0.4
95.08570	0.6
96.04457	0.5
96.08065	1.1
97.02866	0.7
97.85697	0.4
98.09642	1.0
98.23513	0.4
100.07565	0.7
108.08115	4.0
110.07123	1.1
110.09633	1.7
120.08079	1.1
126.08279	0.6
126.09148	8.1
127.03857	0.7
128.07040	0.4
128.10675	1.5
129.10211	1.0
130.08589	0.7
136.07539	0.8
138.05489	1.3
142.12202	0.6
144.10196	37.7
145.10530	0.9
184.13264	0.6
250.18031	2.2
250.37410	0.4
268.19083	5.1
270.14584	0.5
286.20114	13.0
286.23392	0.7
304.21170	100.0
305.21515	3.4
448.25568	1.0
466.26486	90.4
467.22250	0.4
467.26974	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	466.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36498	1.4
53.97011	1.5
55.05510	12.3
55.97326	1.5
57.03442	8.5
57.07063	4.5
64.44112	1.6
67.05155	2.3
67.05500	27.2
69.07063	18.2
69.33888	6.9
71.08615	1.7
72.84490	1.8
79.05491	7.0
81.07053	27.7
83.08628	8.7
91.05473	4.9
93.07061	7.8
95.08614	22.9
97.10165	3.9
98.98465	2.3
105.07007	3.6
107.08587	4.7
109.10151	7.4
112.81500	1.6
113.00011	29.7
119.08544	3.9
121.10145	2.8
123.11694	3.1
133.10097	2.6
135.11620	1.6
147.11691	2.0
169.02606	23.8
187.03574	2.2
236.43335	2.1
243.54123	1.5
245.22636	2.3
263.23669	2.8
279.28934	1.7
313.27359	6.1
337.27341	100.0
338.27716	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1189
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01874	3.5
57.03441	1.6
61.02933	1.1
63.08701	0.6
68.99793	13.7
69.03455	0.8
70.06599	4.6
70.70898	1.3
72.08161	2.6
73.02908	1.2
74.06096	0.7
79.05486	1.3
81.03423	3.5
81.07069	1.0
83.04945	0.6
84.08137	1.8
85.02905	6.1
86.09721	7.1
90.96419	0.7
91.05475	1.2
93.07046	0.9
95.04965	3.0
97.02911	1.7
103.03938	1.0
107.04914	0.9
109.02864	3.4
110.07163	1.7
111.04443	2.3
119.04971	1.0
120.08094	1.6
121.02811	3.3
121.06616	0.9
123.04411	5.0
127.03942	3.6
129.10204	0.7
130.08701	0.6
135.04393	3.1
136.07570	1.6
137.02353	100.0
137.03427	6.2
137.05984	1.6
138.02650	1.1
139.03920	5.2
147.04416	2.4
149.02365	1.5
149.06065	0.8
151.03944	3.7
153.01833	12.2
163.03917	8.4
165.01831	12.7
165.05530	1.8
167.52910	0.6
169.04965	1.5
171.03062	0.7
175.04031	0.7
177.01837	6.5
177.05418	1.8
179.03403	20.8
183.02911	4.0
187.03990	1.3
187.05688	0.6
189.01886	1.3
189.05528	1.1
191.03392	13.3
193.04973	7.6
195.02895	15.9
197.04512	1.0
201.05553	1.0
203.03450	2.8
205.04980	13.8
207.02870	1.4
215.03461	1.6
217.04900	4.8
219.02895	37.0
221.04422	0.9
229.04942	0.9
231.02879	5.4
233.04352	1.5
235.06068	3.7
239.05643	0.7
243.02832	0.8
247.05959	0.7
249.03972	5.1
253.07114	1.4
259.06030	1.2
261.03958	6.3
269.12839	2.2
271.08273	1.3
279.04996	4.9
279.67117	0.7
287.05411	1.4
287.13925	2.6
295.05954	0.6
297.06055	18.1
298.06717	0.7
299.05524	12.1
300.06274	0.7
303.23621	0.7
305.06561	0.8
306.17734	0.9
311.05539	4.4
315.07080	2.1
323.05609	1.5
325.07132	1.6
329.06577	16.0
337.07111	3.5
339.08414	0.8
347.07645	1.5
349.07001	1.2
353.06564	7.4
363.08582	2.4
365.06638	2.4
367.08157	1.3
371.07507	8.7
383.07672	9.6
391.08127	3.4
395.07779	3.0
401.64136	0.6
403.08197	1.5
413.08664	5.8
419.07693	2.9
421.09348	1.1
431.09860	5.4
449.10654	11.1
466.26334	0.8
467.09879	13.3
467.19470	3.1
467.26822	0.7
468.24747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1525
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
60.37870	0.3
70.04125	0.8
70.04453	0.2
78.81598	0.3
79.05470	0.5
84.81248	0.2
94.37350	0.3
96.61563	0.2
103.05466	0.4
105.07018	7.4
115.05402	0.4
133.06483	17.5
154.30099	0.3
177.19940	0.3
201.03726	0.4
203.05260	0.7
205.78333	0.3
222.82437	0.3
273.49377	0.3
275.07327	1.3
333.07901	8.9
334.79074	0.3
335.09457	14.5
363.61261	0.3
467.15210	100.0
468.15530	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88789	0.8
60.87741	0.8
69.63613	1.7
69.64002	1.6
74.86917	0.7
79.05494	1.4
85.02969	0.8
86.09743	1.3
105.07029	8.0
133.06487	22.2
136.07552	1.0
203.05315	1.1
275.07352	2.5
284.69980	1.0
333.07950	10.4
335.09457	20.8
394.51492	0.9
415.54105	1.2
463.65820	0.9
467.15234	100.0
468.15414	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	467.1527
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
58.14555	0.4
66.66473	0.4
85.02894	0.7
106.37469	0.6
109.02881	1.0
120.43102	0.5
122.49058	0.4
127.03772	1.1
172.04956	1.0
187.05867	0.5
198.65633	0.4
216.01208	0.4
236.45607	0.5
317.08533	3.2
335.10928	0.6
347.24478	0.5
446.29639	0.5
467.15244	100.0
468.15680	3.6
468.24557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.5
55.05513	5.3
58.99589	4.9
66.92727	0.6
67.05507	4.6
69.07021	2.4
70.99527	0.9
71.08635	8.4
73.01089	0.9
76.03973	1.3
79.05492	5.0
80.04974	2.5
81.07064	6.0
82.06570	0.6
83.08608	3.6
83.30502	0.6
85.01109	0.8
86.00659	3.6
86.99059	3.5
88.02166	1.8
91.05473	5.3
91.87372	0.6
93.07043	3.6
94.06502	2.4
95.04955	0.9
95.08604	3.3
96.04467	0.7
97.01055	2.1
98.00581	0.8
99.08092	4.1
100.02161	2.3
103.36655	0.6
105.06970	2.9
106.06519	1.8
107.04893	1.5
107.08530	1.4
108.04459	0.9
108.08060	1.1
109.06473	0.6
109.10100	0.9
110.05981	0.7
111.02607	3.0
111.08053	1.4
112.02192	7.5
113.00533	1.6
114.03726	1.3
116.01681	16.1
117.06982	1.9
118.06518	2.3
119.08525	2.7
120.08051	1.3
121.10106	1.0
122.05930	0.9
123.02667	1.0
124.02135	3.8
125.04176	0.7
126.00075	1.0
126.03733	10.3
129.06938	1.6
130.06491	1.6
131.08543	3.4
132.08051	1.8
133.08739	0.7
133.10091	1.8
134.09651	1.3
135.02583	1.7
135.08012	1.2
135.11603	1.1
136.02165	3.8
137.02892	2.6
137.04115	1.9
138.00015	2.1
138.03726	12.6
139.02066	0.9
139.04477	1.0
139.05598	0.6
140.01666	3.3
140.05243	1.2
142.03154	0.8
143.02719	1.1
143.08524	1.7
144.01094	2.8
144.08032	0.7
145.10065	1.5
146.06004	1.3
146.09583	1.5
147.02634	0.7
147.07965	0.7
148.11205	0.9
149.02971	0.8
149.04108	0.9
149.09558	0.7
150.03741	8.0
151.04486	2.2
151.05652	1.0
152.01648	9.0
152.05312	4.9
154.03217	3.9
158.09583	0.8
159.07983	0.7
160.11142	1.8
161.09538	1.0
162.02170	3.3
162.03696	2.5
162.12683	1.3
163.05786	1.1
164.01645	8.3
164.05252	1.9
165.02377	0.8
165.06038	1.0
165.07332	1.5
166.03215	8.4
166.06879	1.1
168.04753	1.0
169.04265	0.9
170.09688	0.8
174.12753	1.7
175.05818	1.0
176.05243	2.9
176.10698	1.3
177.07314	0.8
178.03221	4.9
178.12241	1.4
180.01054	1.6
180.04758	1.9
180.08412	1.5
182.09834	1.0
184.11197	1.4
185.11920	0.7
186.09087	1.1
186.12737	1.2
188.10690	0.8
188.14278	0.9
189.03346	0.9
190.06772	1.5
190.12239	1.3
191.08815	1.2
192.04724	2.9
192.08377	2.4
193.06851	0.9
194.09941	1.9
195.08214	1.0
202.12248	2.6
203.08888	0.8
203.13069	0.7
204.13867	1.0
206.09937	2.2
206.11688	0.9
208.11537	5.9
209.03786	1.1
210.09512	1.6
212.10602	0.8
214.12344	0.7
216.08353	1.7
218.09972	5.3
218.11826	1.0
219.08406	0.7
219.10774	1.8
220.07938	1.3
220.11523	7.9
220.13393	1.2
222.09474	2.9
224.10893	1.5
229.24551	0.7
230.09862	1.7
232.11497	1.5
234.09468	4.7
235.10339	1.3
236.11035	20.5
238.09091	0.8
240.05505	0.8
240.10495	1.6
244.07854	2.3
246.09454	3.1
248.08495	1.0
248.11044	19.4
249.11632	0.9
252.10475	2.8
253.06401	1.3
254.07310	0.8
254.12097	6.8
255.04358	2.2
256.13428	1.1
262.08942	5.7
262.12399	1.5
264.10522	16.0
265.11249	1.4
266.12112	8.1
269.05725	0.7
272.19937	0.7
274.08960	1.0
276.10519	4.7
278.11993	0.8
280.10135	3.2
280.13120	0.7
281.06036	1.0
282.11533	5.3
290.11972	1.0
291.11615	0.9
292.09946	5.4
292.17221	1.0
294.11520	1.3
298.10925	1.4
305.13120	3.0
309.12585	1.3
310.18170	0.9
311.14191	5.3
318.18658	4.8
319.11130	2.1
320.16718	1.2
321.12671	3.5
322.13339	2.0
323.14230	7.8
328.17221	3.8
333.12643	1.4
335.14276	0.8
336.19910	10.2
337.12189	5.4
339.13867	4.0
346.18362	21.1
347.10342	0.8
347.18600	0.8
348.19989	1.8
349.12051	1.1
351.13705	12.7
355.13174	5.4
364.19440	14.7
365.11655	1.2
365.19891	1.1
367.13254	4.7
369.15036	1.0
374.17892	6.0
375.22565	0.8
383.12729	2.7
384.13458	0.7
392.18805	2.5
393.21991	1.9
403.20590	3.2
421.21548	33.1
422.22134	1.2
432.11221	0.7
439.22629	12.2
449.21057	89.5
450.21335	3.2
467.22122	100.0
468.22592	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2257
Annotation	Arg Glu Tyr
Peak:m/z	Relative Intensity
55.05478	0.8
67.05492	1.1
69.07050	1.4
70.06582	1.5
70.19653	0.7
72.08141	0.8
79.05471	0.7
81.07052	2.7
84.08136	1.2
85.02920	0.8
85.06503	0.8
88.72014	0.7
91.05487	1.6
93.07030	1.3
94.33868	0.7
95.04939	0.8
95.08599	1.7
96.49725	0.7
96.54498	0.6
96.85035	0.6
105.07019	0.9
107.08622	1.2
109.06546	0.7
109.10130	0.7
110.07178	0.8
116.22385	0.7
121.10162	1.1
136.86504	0.9
145.10091	0.7
145.32852	0.6
147.04436	2.6
147.11696	0.7
171.11719	0.9
270.17926	1.0
273.28625	0.7
287.19888	1.2
293.11771	0.7
305.13632	6.8
305.17297	2.0
405.22455	2.3
423.23346	1.7
467.22525	100.0
468.23026	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	468.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74558	2.2
55.01873	2.3
67.05499	5.0
69.07081	6.6
71.04980	4.2
72.08174	1.9
79.05501	6.5
81.07054	15.6
83.04986	8.8
85.02906	8.5
85.06536	3.0
88.23647	2.1
91.05477	6.0
93.07041	16.9
95.04945	4.2
95.08614	19.2
97.02911	3.9
97.06532	11.6
99.04453	9.3
105.07031	11.9
107.04922	2.5
107.08598	11.1
109.02846	8.9
109.06512	14.9
109.10196	2.5
111.08086	8.5
117.03427	2.8
119.08581	7.3
121.06511	40.6
121.07336	3.6
121.10106	3.0
123.11706	3.7
125.06003	6.8
127.03891	3.4
127.07576	5.2
133.10147	6.6
135.08070	5.2
137.06020	2.4
139.07564	10.1
143.07036	6.2
145.02870	8.7
145.10085	3.5
147.04395	12.7
147.11685	24.7
149.13263	2.0
151.07603	2.6
151.11186	2.3
157.08611	7.0
157.10152	7.4
159.06523	7.1
161.13220	6.1
163.03972	3.2
165.12756	7.1
167.67912	1.9
169.12248	8.9
171.11678	7.5
175.11189	15.1
177.05470	12.0
181.10188	2.7
187.05995	2.4
189.12642	10.5
193.12277	16.0
199.11168	14.1
204.10181	5.6
207.13823	6.0
211.13274	16.4
217.12234	44.7
229.09639	2.1
229.14351	10.0
235.13287	63.4
247.08246	3.0
253.14343	100.0
254.14864	2.3
271.15424	18.4
281.94983	2.1
282.41223	2.1
289.16452	21.0
412.65506	2.1
433.34778	2.5
468.24899	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	468.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01862	2.7
55.05516	2.7
65.37470	1.7
67.05508	4.7
69.03432	2.4
69.07067	7.3
69.48264	7.9
71.05000	5.1
72.08147	8.2
75.09253	1.6
79.05508	6.0
81.03439	2.0
81.07059	21.0
83.04987	7.0
83.08615	2.7
85.02921	3.3
85.06567	2.6
89.03932	2.2
91.05494	9.3
93.07042	22.1
95.04990	7.1
95.08611	23.9
97.02926	3.4
97.06529	12.4
98.22651	3.0
99.04456	9.8
105.07039	12.7
107.04956	3.4
107.08602	16.2
109.06516	15.9
109.10145	4.0
111.08079	10.4
112.11285	3.4
113.06015	3.9
115.61082	1.5
117.03381	10.1
119.04946	11.0
119.08587	8.7
119.74934	1.7
121.06519	42.8
121.10140	3.7
123.08077	3.1
123.11726	2.6
125.05973	9.7
127.07549	5.7
133.10118	11.0
135.04443	2.3
135.08073	7.1
137.06009	3.0
139.07553	11.2
143.07057	6.4
143.08592	2.8
143.34319	1.7
145.02831	32.9
145.10167	3.3
147.04408	57.7
147.11687	24.7
147.12732	2.6
149.06013	3.0
151.11125	3.2
157.08641	6.8
157.10153	9.8
159.06552	7.2
161.13283	6.8
165.12766	8.3
169.12274	11.0
169.82448	1.6
171.08038	1.8
171.11713	5.9
174.87505	1.6
175.11177	17.9
177.05478	43.4
178.05797	2.1
189.12764	10.9
193.12219	16.8
196.13901	1.9
199.11174	17.6
204.10205	30.6
207.13795	10.7
211.13268	18.8
217.12244	47.6
229.14261	11.2
231.60460	1.9
234.11259	7.2
235.13293	74.1
236.13640	3.4
248.12894	3.2
253.14348	100.0
254.14696	1.7
271.15375	15.7
289.16443	19.5
292.20230	5.9
322.21289	6.7
402.42773	1.9
409.07727	1.7
468.24942	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76584	0.7
55.05527	0.7
58.06593	1.0
62.49862	0.7
67.05508	1.6
69.03409	1.5
69.07064	1.1
69.10096	5.1
70.06597	2.2
72.08151	12.3
74.81357	0.8
79.05495	1.5
81.03455	0.8
81.07069	2.5
83.04987	1.0
84.04509	0.8
84.08128	3.8
85.02908	3.5
86.09720	2.2
89.03920	4.6
91.05468	5.4
93.07050	2.3
95.04971	1.9
95.08622	2.6
96.08147	0.7
96.86028	0.6
97.02916	1.8
97.06534	1.3
99.04464	2.9
103.03930	2.1
105.07027	2.1
107.04955	0.8
107.08582	1.4
109.02888	2.4
109.06522	1.5
109.10159	2.1
110.07171	0.7
110.09747	0.7
111.08091	0.7
112.11226	5.4
117.03378	15.0
119.04938	14.8
121.06512	3.3
127.03882	4.7
128.10701	1.6
129.13896	2.7
133.10117	0.9
135.04478	0.8
135.08035	0.7
137.02301	0.7
137.06039	0.9
138.02676	1.0
138.38594	0.8
139.07530	2.1
141.38174	0.7
143.07013	1.0
145.02846	50.0
145.04979	2.3
146.16484	1.6
147.04407	80.3
147.11690	2.2
148.04797	1.3
149.05980	5.2
153.01862	1.3
154.02173	0.6
155.11766	1.7
157.10091	1.1
160.17067	0.7
163.03922	1.0
163.06053	0.9
169.12215	1.3
171.11708	0.9
175.11198	2.0
177.05470	60.1
178.05838	1.1
186.05544	1.0
189.12785	0.9
193.12285	1.0
199.11125	0.9
203.11821	1.1
204.10202	44.9
205.10509	1.0
217.12265	3.8
218.11865	1.3
221.12840	1.3
222.25604	0.9
229.14302	1.0
234.11240	10.6
235.13260	5.7
248.12857	4.4
253.14296	7.4
271.15262	1.4
275.17664	3.3
280.22742	1.2
289.16608	1.7
292.20212	6.8
305.18637	1.7
322.21234	7.4
408.28574	2.3
428.65973	0.7
433.08630	0.9
450.23978	1.5
451.22531	1.1
468.24924	100.0
468.30399	6.6
469.10968	0.9
469.25333	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	468.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
57.03438	2.4
58.06586	1.3
60.22372	0.3
65.03944	0.9
67.05492	0.5
69.03415	1.7
69.07040	0.8
69.22847	1.8
70.06580	1.3
72.08159	15.7
73.02911	0.8
75.09219	1.1
79.05493	0.7
81.07057	0.8
82.36804	0.4
83.69559	0.4
84.08126	1.9
85.02908	2.9
85.06550	2.6
86.09681	0.7
87.04461	1.4
89.03913	5.9
91.05481	5.6
93.07050	0.7
95.08604	1.9
97.02899	1.7
97.06552	0.9
109.02820	0.5
110.09670	0.4
112.11258	6.9
113.11672	0.4
113.64209	0.3
115.03925	1.6
117.03384	20.3
119.04946	12.8
120.05159	0.3
121.10150	0.9
127.03913	0.9
129.13876	5.6
133.04962	1.8
134.03639	1.0
135.04457	0.9
137.02367	0.6
139.11189	3.8
145.02850	59.6
146.03224	1.5
146.16522	3.3
147.04408	66.6
148.04726	1.0
149.05991	5.6
155.11812	2.0
157.12251	5.2
158.08247	0.4
163.03905	0.8
172.14508	0.5
176.07083	0.6
177.05473	83.1
178.05812	1.5
186.05559	0.9
203.11757	0.5
204.10199	19.4
218.11856	3.9
219.08842	0.6
220.23424	0.4
221.12814	0.4
223.05960	0.5
233.08086	0.4
233.13010	0.5
234.11255	33.6
235.11630	0.8
248.12921	1.1
251.13815	0.4
269.08255	0.3
274.19138	0.6
275.17563	3.4
292.20203	12.7
293.20663	0.8
305.18549	2.5
309.15506	0.5
313.65225	0.4
318.17999	0.9
322.21249	7.1
450.23944	0.7
451.10947	0.5
451.22433	1.0
468.24945	100.0
469.11075	0.4
469.25366	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	468.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	1.0
62.16944	0.3
63.02342	0.5
65.03917	0.5
69.43112	1.2
70.06569	0.7
72.08152	10.2
84.08125	1.2
85.02892	0.7
88.83591	0.4
89.03908	3.5
91.05486	5.1
93.07030	0.5
97.02886	0.4
99.04457	0.4
103.03946	0.4
112.11249	3.9
117.03370	13.1
119.04935	15.1
127.03864	0.7
129.13881	2.6
134.03601	0.7
135.04376	0.8
136.06233	0.3
137.02202	0.3
145.02843	39.7
146.03136	0.6
146.16548	1.8
147.04399	80.4
148.04752	1.6
149.05986	3.8
151.13049	0.4
155.11778	1.9
163.03952	0.6
172.14418	0.6
177.05461	58.2
178.05780	1.1
203.11806	1.2
204.10190	43.5
205.10512	1.0
209.94670	0.3
213.25575	0.4
218.11703	0.5
219.79367	0.4
221.12761	0.9
234.11232	9.1
248.12814	5.4
253.14398	0.7
271.15512	0.4
275.17535	3.2
292.20197	5.3
304.20154	0.5
305.18555	1.8
318.18106	0.6
322.21188	8.4
450.23965	0.8
451.22052	1.3
468.24921	100.0
469.25195	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	468.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.05034	2.3
57.03444	1.0
57.07079	4.6
58.06600	100.0
59.06941	0.7
62.56504	0.3
67.05509	1.2
69.07072	1.4
70.91402	0.3
71.08632	3.0
71.46158	0.4
76.07645	5.4
79.05490	0.4
81.07056	1.2
83.08630	1.2
85.10173	1.6
95.08614	1.6
97.10191	0.6
98.98450	1.0
100.98915	0.4
107.08585	0.4
109.10168	1.2
123.11708	0.7
134.98221	0.3
147.04419	0.4
155.01039	0.6
156.04211	0.8
187.91840	0.3
212.06818	0.3
230.08014	0.9
304.32825	0.4
311.25876	0.9
312.26239	0.7
313.27362	27.7
314.27469	1.1
436.45734	0.3
450.30197	2.1
468.30765	2.9
469.23450	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3087
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
53.57830	0.3
55.05517	0.4
56.05029	1.6
57.03423	0.5
57.07077	3.0
58.06586	1.4
59.07382	0.4
60.08163	16.5
67.05508	0.7
69.07067	0.8
69.22889	1.4
71.07375	5.5
71.08635	1.7
81.07048	1.0
83.08614	0.6
85.10175	1.0
86.09704	45.7
87.10023	0.5
95.08584	1.3
97.10123	0.3
98.98462	3.1
104.10739	100.0
105.11076	0.4
109.10159	0.8
124.99998	26.1
126.00332	0.3
126.17368	0.3
163.01541	0.8
163.46133	0.3
184.07335	93.4
185.07750	1.0
255.73753	0.3
258.10971	1.0
285.24234	2.6
336.35217	0.4
391.22302	0.7
397.88513	0.3
450.29785	8.4
451.29800	0.4
468.30850	33.4
469.31125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.9
57.07060	6.0
66.01453	1.5
67.05504	22.4
67.70182	1.6
69.03422	3.9
69.07067	42.8
69.24039	4.7
69.24431	3.8
70.06569	5.7
71.04975	1.5
71.08630	1.9
72.08112	1.8
72.57406	1.6
77.23941	1.5
79.05512	9.2
79.05872	1.7
81.07056	34.3
83.04981	3.8
83.08620	26.2
84.08166	1.6
85.02913	11.4
85.06528	2.6
85.10168	1.8
86.09689	3.3
91.05492	9.1
93.07036	14.8
94.50706	1.7
95.08606	29.2
97.02917	2.4
97.06523	3.3
97.10173	29.9
98.10531	1.8
98.22719	3.5
99.08092	4.5
105.07019	7.7
107.08575	10.5
109.10161	18.0
111.08084	4.0
111.11717	13.4
113.09621	1.7
119.08559	10.3
121.10152	22.1
123.08072	2.1
123.11666	5.9
123.79333	1.8
125.09659	3.7
125.13248	5.5
127.03900	2.3
133.10135	14.2
135.11697	19.6
137.09587	7.7
137.13232	6.1
139.11185	3.9
142.31284	1.7
145.02831	2.7
147.04385	7.1
147.11682	10.5
149.13254	3.3
151.11205	4.8
151.14813	4.1
153.12740	4.2
155.10678	2.3
157.12202	4.7
161.13303	11.1
164.07065	3.0
165.12718	6.0
171.13838	4.3
175.14778	5.1
177.05484	4.5
179.14328	4.5
183.13728	2.1
193.15958	2.0
204.10156	2.8
214.03273	1.6
217.19496	29.4
235.20561	40.6
253.21620	100.0
254.21906	3.0
271.22672	64.3
272.22961	2.8
289.15445	6.3
289.23672	4.9
306.14063	2.4
405.27518	1.8
468.23755	12.6
469.23544	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	469.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21099	1.3
55.05521	1.1
55.67754	1.1
56.05022	2.7
56.96565	5.5
57.03435	1.7
58.06593	1.9
67.05505	9.2
68.05851	1.3
69.03416	2.7
69.63770	1.4
69.64110	4.1
70.06596	4.5
72.08150	3.5
73.02935	1.4
74.06084	4.5
79.05485	3.4
81.07052	4.2
84.04499	3.1
84.08139	13.6
85.02899	10.0
86.03244	1.5
86.09703	4.0
91.03979	1.4
91.05486	4.2
93.07070	2.1
95.08604	2.6
96.08103	1.6
97.02901	3.9
98.09697	1.7
98.22771	2.5
98.97588	1.9
99.04464	2.2
102.05527	1.4
103.03945	2.6
105.07010	2.4
107.08607	2.8
109.02830	1.4
109.10140	8.5
110.09691	3.8
110.10467	2.4
112.11254	3.6
117.03378	2.9
119.04906	2.2
120.08100	2.7
127.03924	4.5
128.10709	3.6
130.05035	1.5
130.06552	5.1
145.02849	9.4
145.04973	5.8
146.03169	2.4
147.04396	11.2
148.04761	3.5
157.07671	1.4
163.06058	2.7
175.08727	1.6
177.05505	9.9
177.42352	1.4
178.05861	4.3
181.05299	2.9
204.10217	7.2
205.10559	3.8
207.03326	5.1
221.08655	1.4
225.04286	3.4
234.11206	1.6
247.06334	3.1
262.21704	8.3
265.07486	11.8
269.09332	2.0
269.65823	1.4
279.24490	3.3
280.22705	17.5
281.10629	2.2
283.08572	3.6
289.10327	2.7
292.20126	1.5
304.12872	2.5
307.09232	43.1
321.07626	2.5
325.09558	8.2
365.27997	1.7
403.08490	1.5
409.11688	2.1
409.26974	18.8
433.09158	3.1
451.10245	2.7
468.24808	6.1
469.14771	100.0
469.23816	6.2
469.29858	44.7
470.14978	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	469.1483
Annotation	Polycarpine
Peak:m/z	Relative Intensity
56.96285	1.8
56.96566	25.0
58.21042	0.9
63.73419	1.0
67.05508	1.7
69.03434	1.1
69.07072	1.4
69.41815	1.0
69.53697	2.1
69.54083	1.9
69.61497	0.9
70.06609	5.0
72.08144	4.2
81.03387	1.1
81.07049	1.8
83.44424	0.9
84.08158	1.3
84.96026	6.5
85.02917	3.4
86.09737	1.9
91.05469	1.2
95.08630	1.8
98.97588	4.5
99.04399	1.5
100.11263	2.4
105.17213	1.2
109.10142	1.9
110.07150	2.2
110.09652	1.3
110.97572	1.8
114.09163	4.8
115.00728	1.6
120.08028	1.7
127.00687	2.6
127.03925	1.6
128.10719	9.2
129.02248	16.3
142.36743	1.0
145.02870	3.7
145.04947	1.8
145.10078	1.4
147.03285	23.8
147.04398	5.4
148.04761	2.6
165.00757	1.0
165.04369	2.9
170.04858	1.5
177.05475	3.9
178.13603	1.0
181.05276	1.9
182.15390	2.4
204.10207	2.1
205.10521	1.4
207.03349	2.2
210.14795	2.3
213.04320	2.4
219.01805	4.2
221.08495	2.8
225.04550	2.4
231.05415	2.1
237.02774	5.0
239.09587	3.5
247.06358	2.5
265.07474	12.0
268.73141	1.0
279.03876	1.2
283.08554	11.1
307.09338	40.4
307.14828	1.9
325.09674	5.3
339.07343	1.5
349.06726	1.3
356.09348	1.0
357.08408	1.9
391.10724	6.2
397.29407	1.4
408.72928	1.2
409.11722	12.9
451.10141	3.6
468.24911	2.7
469.15054	100.0
469.24799	18.3
470.15219	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	469.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
56.36652	1.0
56.96550	5.2
60.32936	1.1
66.57159	1.1
67.05483	3.1
68.99098	1.1
69.03418	2.1
69.07043	1.8
70.06577	3.3
71.05022	1.2
71.44915	1.3
72.08130	4.3
81.03415	1.6
81.07034	2.8
83.08608	1.3
84.08135	2.8
85.02886	4.1
86.09686	3.5
88.84187	1.1
91.05462	2.3
95.08613	2.2
97.02868	2.7
97.06493	1.3
98.97548	1.9
99.04482	1.8
103.03919	1.5
105.07011	2.2
108.26341	1.2
109.02863	1.5
109.10144	2.4
110.07144	3.3
110.25837	1.2
117.03389	3.0
119.04920	2.8
119.08547	1.4
127.03874	4.2
128.10716	2.7
133.10094	1.5
137.02672	1.2
138.48743	1.1
145.02846	8.7
145.04929	2.8
146.03183	2.4
147.03342	2.7
147.04384	14.8
148.04709	4.3
157.12230	1.4
163.04140	1.5
163.05977	1.3
177.05472	11.9
178.05772	4.2
178.81203	1.2
181.05267	2.0
184.08737	1.1
189.02055	1.0
189.63742	1.2
202.12184	1.0
203.03473	1.4
204.10234	7.3
205.10539	2.5
207.03271	5.8
210.14876	1.2
219.01837	1.4
221.08525	2.1
225.04265	4.0
227.16371	1.1
234.11252	2.6
237.02881	2.7
239.09477	1.8
245.11359	1.2
247.06393	3.0
248.13490	1.1
261.11041	6.1
265.07452	16.1
280.22687	2.0
281.10498	1.4
283.08389	5.2
288.08743	1.3
289.07727	1.4
289.10513	16.8
292.19995	2.1
307.09192	43.4
307.11737	27.5
307.15350	2.7
308.06454	1.2
321.07712	1.6
322.21249	1.8
323.21442	1.2
325.09692	5.9
341.52982	1.1
368.15509	1.2
409.15179	3.6
427.16534	1.7
433.08789	1.9
451.09933	3.3
451.15662	3.2
458.31674	1.3
468.24808	10.0
469.14685	100.0
469.24747	18.2
470.14813	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	469.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44995	0.6
91.05489	4.9
93.52556	0.8
100.11256	1.8
107.04933	1.5
119.04936	18.1
147.04404	100.0
148.04753	1.1
157.68492	0.7
160.07584	3.0
182.15410	1.2
201.05524	1.7
210.14897	1.7
264.80499	0.8
275.09137	11.4
293.10080	1.4
323.13669	1.6
469.19598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.8
58.99588	3.9
67.05514	3.8
69.07064	2.9
79.05488	4.6
80.94868	2.6
81.07067	4.7
83.08624	8.3
91.05478	2.4
92.58230	2.5
93.07054	3.1
94.06556	3.3
95.08601	2.9
96.04678	2.3
97.01098	2.5
97.10166	11.2
104.24409	2.2
105.07037	2.8
107.08593	4.6
111.02636	2.2
112.02188	6.5
114.03680	2.8
116.01661	10.7
119.08557	2.4
120.08085	3.5
125.09635	8.6
126.03736	8.5
137.06013	2.9
138.03734	4.2
138.12805	3.5
144.01016	2.5
150.03764	7.1
153.07353	6.6
164.92017	4.5
168.08580	2.6
170.10027	4.6
175.04268	2.5
180.08392	5.7
182.09991	2.7
183.14047	2.6
194.09917	2.6
196.11554	33.0
198.07169	2.3
206.09831	2.9
230.35094	2.4
253.13748	3.2
271.87946	2.6
299.14282	9.3
322.18317	5.2
328.18872	5.8
348.19849	21.0
350.21490	6.2
366.20972	8.8
376.19330	9.3
387.23178	2.8
394.20346	6.8
405.23169	7.0
407.27734	2.5
451.22592	100.0
452.22821	6.8
469.23682	58.7
470.23297	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	469.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
57.07059	4.3
58.99584	4.1
62.98254	1.4
67.05502	6.1
69.61830	3.3
69.62213	2.9
79.05483	5.0
79.41747	1.4
80.05022	2.3
80.94820	2.8
81.07052	5.1
82.06566	1.8
82.65334	1.5
82.94601	1.7
83.08611	2.1
85.10180	3.3
86.00648	2.9
86.99033	4.0
88.02193	1.5
91.05482	4.0
93.07028	4.2
94.06573	1.8
95.08615	5.0
97.01104	2.0
98.22689	1.5
100.02210	1.9
105.07019	3.3
107.08583	3.0
111.02681	2.4
112.02191	3.7
113.00483	1.4
113.02945	1.7
114.03806	1.8
116.01684	14.2
119.08604	1.9
120.08071	2.6
124.02203	2.8
126.03756	9.8
131.08578	1.7
136.02122	2.2
138.03734	6.5
144.01178	1.8
145.10106	1.7
147.02621	1.4
150.03708	9.8
151.04544	2.3
152.05312	4.0
158.09796	1.6
159.11644	1.9
162.02287	2.8
162.03712	4.8
164.05324	3.6
176.05258	4.2
185.14323	1.4
194.09990	1.8
196.11569	1.7
204.13918	1.7
208.11568	2.7
218.10016	3.3
220.11563	6.9
222.13020	3.5
232.11603	3.0
234.13116	2.1
236.11031	9.2
239.84122	1.7
254.12057	11.6
264.10510	1.5
266.11972	1.5
278.12103	1.7
301.69452	1.4
302.19254	3.0
308.89252	1.4
311.14182	4.2
312.17746	2.3
320.20508	3.7
322.18402	4.3
329.22385	1.9
330.18817	10.6
332.20331	8.1
338.21347	2.1
339.13550	2.0
348.19910	24.5
349.20984	3.1
350.21423	16.2
357.14771	4.1
358.18518	4.9
359.12527	1.7
359.17828	1.6
366.21042	9.8
376.19431	23.4
387.22849	5.6
405.23340	27.6
417.23618	4.5
423.22910	3.2
433.21628	5.9
451.22617	100.0
452.22995	4.3
469.23663	75.5
470.23984	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69464	0.5
55.05478	0.8
57.03421	1.0
58.06592	1.7
63.67268	0.6
67.05482	2.1
69.03429	4.3
69.07069	0.7
70.06577	2.3
72.08150	13.1
75.09235	2.1
77.71905	0.6
78.56667	0.6
79.05466	1.3
81.07053	3.4
84.04517	0.6
84.08134	1.8
85.02899	3.8
86.09683	1.0
87.04443	3.7
89.03899	4.4
93.07034	0.8
95.08597	13.1
97.02894	3.6
99.04441	2.9
100.11226	1.6
107.04922	1.4
112.11227	3.9
113.02110	0.7
115.03933	3.8
116.74966	0.6
117.03371	5.1
123.07144	1.1
123.08060	19.9
129.13881	3.5
133.04987	3.6
135.04416	13.7
136.70117	0.6
141.09097	54.7
145.02841	12.7
146.16489	2.0
155.00087	0.8
155.11771	1.0
159.10167	17.0
163.03897	100.0
164.04253	1.6
220.09680	42.6
221.10109	0.9
232.07120	1.4
233.07506	1.1
234.11145	4.8
237.12418	0.8
282.72293	0.6
286.18127	0.8
291.16913	4.3
308.19662	13.9
470.17004	11.7
470.22855	69.7
470.36877	2.2
471.23370	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	470.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11760	0.3
55.05498	0.4
58.06575	1.2
59.03527	0.3
63.02363	0.4
70.06596	0.5
70.72551	0.5
72.08154	10.7
75.09224	0.9
79.05460	0.4
84.08139	1.3
86.09718	0.5
89.03925	4.0
89.10745	0.3
100.07578	0.3
100.11227	0.9
107.04936	1.1
112.11230	3.7
117.03376	5.9
122.32198	0.3
126.51334	0.3
129.13850	2.0
135.04405	11.7
145.02850	11.3
146.16570	1.8
155.11775	1.0
159.26770	0.4
162.05563	0.3
163.03894	100.0
164.04222	1.8
172.14496	0.3
214.11310	0.3
219.11263	0.7
220.09679	48.5
221.10056	0.9
234.11234	5.3
237.12358	1.0
290.18570	0.6
291.17111	3.6
308.19659	12.3
309.19824	0.4
341.43365	0.4
402.40604	0.3
452.22079	0.7
453.20120	0.9
470.22849	76.5
471.23285	3.1
471.35349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.05505	11.6
57.03439	3.8
61.02921	5.4
69.03426	17.7
69.07065	61.0
71.04992	2.3
71.15399	1.9
73.02926	3.1
81.03419	6.3
85.02901	100.0
87.04456	2.7
91.00449	1.9
91.03973	3.4
93.07009	1.7
93.98969	1.5
97.02896	22.5
99.04426	4.3
100.11258	3.9
109.02879	9.6
111.11714	31.4
114.09193	6.8
127.03915	23.1
128.10713	2.1
135.01364	1.9
145.04948	49.2
150.49481	1.9
163.03883	8.4
163.05986	18.2
210.14818	3.4
220.09669	5.7
356.92126	2.2
470.22638	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	470.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.05038	0.6
58.06601	1.3
62.50493	0.4
67.05502	4.2
69.07066	0.7
70.06591	13.9
71.11470	0.5
71.11782	0.4
79.05489	5.7
81.07053	3.2
82.06574	2.8
84.08139	1.1
88.26891	0.4
91.05481	2.7
93.07036	4.3
94.06554	0.4
95.08610	3.5
96.08135	4.0
97.06541	1.2
97.08908	1.0
98.09681	1.5
105.07027	2.7
107.08607	3.9
109.06485	0.4
109.10149	0.8
110.09692	1.6
117.05747	0.5
117.07007	0.7
118.06536	1.6
119.08575	1.5
121.10189	0.8
122.09669	0.6
129.06956	0.5
130.06512	2.6
131.08580	1.7
132.08092	5.3
133.10123	0.6
138.12772	1.3
142.06511	1.2
144.08081	3.5
145.10115	0.7
146.06003	7.9
147.11681	1.2
149.09631	0.6
152.14330	0.8
159.09187	11.1
160.07602	0.8
160.09601	0.4
163.03893	0.8
164.14366	0.8
170.06004	1.5
182.15523	0.5
188.07069	12.7
189.07411	0.5
206.18945	0.7
220.09807	0.5
230.19177	0.5
247.21664	4.1
248.20076	17.1
249.20445	0.6
265.22726	4.7
266.21143	38.2
267.21524	1.5
283.23859	0.9
284.22202	15.1
285.22513	0.6
324.87042	0.4
335.35034	0.4
406.28625	0.9
452.29047	5.6
470.30130	100.0
471.30487	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	470.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04940	2.2
58.06585	3.4
58.78495	2.3
67.05512	3.8
69.54998	8.8
70.06591	16.2
72.89519	2.3
79.05487	4.9
81.07043	3.3
93.07052	2.6
95.08608	3.8
96.92279	2.1
98.09649	4.8
112.51080	2.2
132.08101	3.5
135.03459	2.4
144.08063	2.9
146.06010	10.3
159.09172	14.4
163.03940	7.2
188.07025	12.8
247.21854	3.8
248.20094	15.2
251.01057	2.4
265.22888	4.2
266.21106	33.4
284.22287	13.9
353.61914	2.8
452.29123	6.9
470.23575	5.0
470.30130	100.0
471.30661	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	471.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05505	0.9
57.03429	0.9
61.02921	1.2
67.05511	3.2
68.81415	0.5
69.03442	2.9
69.07055	1.6
70.06584	2.2
70.36343	0.6
71.04999	0.6
72.08142	1.3
73.02907	0.7
79.05489	1.7
81.03413	3.0
81.07050	3.9
82.44140	0.5
83.04979	1.5
83.08611	0.7
84.08135	0.8
85.02900	5.0
86.09725	5.8
90.81909	0.6
91.05476	2.0
93.07039	2.8
95.04951	1.5
95.08600	2.5
97.02885	2.6
97.06563	0.7
98.09699	0.6
99.04414	0.8
105.07015	2.2
107.04935	1.5
107.08588	2.3
109.02908	0.8
109.06507	2.6
109.10152	1.5
110.07132	0.9
111.04432	0.7
114.24899	0.6
117.07049	0.8
119.08587	1.4
119.53484	0.6
121.10142	1.3
123.08065	1.4
127.03899	2.0
131.08517	2.0
133.10126	1.0
135.08086	2.8
135.11690	0.9
143.08577	0.7
145.04962	0.9
145.06406	0.6
145.10139	1.2
146.11812	0.9
149.09622	0.7
157.10091	0.7
159.11681	1.7
163.11107	0.6
169.10033	0.9
171.11620	0.6
177.12653	0.6
185.16478	0.7
187.11159	1.0
213.16063	1.3
217.15831	0.7
221.15358	1.1
227.17747	0.6
259.20157	1.2
273.18555	1.6
291.19559	11.7
309.16666	1.4
309.20181	0.7
309.27744	1.3
316.03629	0.6
335.09451	1.2
471.21878	100.0
472.22458	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	471.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
55.56856	0.3
56.05030	1.9
61.02941	0.3
62.69004	0.2
64.91019	0.2
69.03412	0.5
69.07047	0.5
69.12869	1.0
69.13281	0.8
70.06239	0.3
70.06595	6.1
70.49686	0.2
72.08150	1.9
75.96900	0.3
81.04534	1.5
82.05301	1.4
83.06108	7.9
83.08597	0.3
84.04492	0.8
84.08154	1.6
85.02920	0.7
86.04193	0.3
86.09712	8.8
87.61755	0.2
93.04530	6.0
93.42120	0.3
95.06096	6.6
97.43307	0.3
98.23431	0.5
101.07113	0.7
104.05312	0.6
105.94469	0.3
107.06124	0.3
109.07635	0.5
110.07167	100.0
111.07504	0.9
115.08719	0.3
116.07174	0.4
119.04961	0.9
121.03983	1.1
122.07172	0.4
125.75080	0.3
129.10211	0.9
133.03229	0.4
136.08702	17.4
138.06621	4.3
138.09160	0.6
141.10231	0.6
144.06534	0.7
147.04419	5.1
147.05504	0.5
148.08737	0.3
148.98833	0.3
150.05795	1.0
157.13362	3.4
158.57309	0.3
161.09239	0.8
163.09824	0.4
164.06949	0.5
164.08208	5.5
166.06122	1.6
176.05775	0.3
176.44386	0.2
181.10847	22.4
185.12817	2.4
187.99387	0.3
191.09265	0.4
192.07652	1.6
200.13905	0.3
200.47162	0.2
209.10338	50.1
210.10587	0.8
226.15436	0.4
230.11371	0.3
241.11923	0.3
245.11295	0.3
258.14542	2.7
259.15527	0.7
263.14230	0.7
276.18250	1.8
286.16464	0.5
291.13504	1.5
304.17673	9.7
305.17963	0.4
309.09558	0.4
322.14969	0.6
322.18741	11.0
334.17789	0.3
453.22696	4.6
453.28735	0.4
454.23120	0.3
471.23871	18.3
472.23886	0.7
498.80756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	2.0
55.05509	0.9
57.03434	4.4
57.78850	0.4
59.05006	0.6
61.02925	8.5
69.03427	15.6
69.53140	1.7
70.06590	1.6
71.01369	0.4
71.04993	1.8
71.08621	1.2
72.08154	6.0
73.02915	3.4
76.46024	0.4
78.22053	0.3
81.03418	6.7
84.08157	0.6
85.02902	100.0
86.03230	1.1
86.09712	5.8
87.04483	2.0
91.03956	5.6
97.02893	24.6
98.46441	0.4
99.04458	4.0
101.02386	0.5
103.03954	0.8
109.02875	8.4
115.03931	1.0
127.03912	27.8
129.10248	0.4
144.06529	0.4
145.04956	56.5
146.05261	0.5
146.11743	1.2
163.06017	25.4
164.06184	0.5
167.27353	0.4
204.08595	0.4
214.10060	0.4
214.11816	2.4
244.17424	0.5
259.20126	1.1
268.22708	0.5
271.07990	0.5
293.19482	1.8
299.20792	0.5
325.11209	0.7
327.20248	0.8
472.19891	0.7
472.32294	1.9
472.81702	0.6
473.19440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13257	0.9
50.29344	0.9
53.03938	1.0
55.01871	1.4
55.05512	5.9
57.03425	1.1
57.96904	0.8
67.05504	11.8
69.03436	1.8
69.07066	9.6
69.32877	4.2
71.04984	1.6
77.03983	1.1
79.05486	9.9
81.07055	14.1
83.04977	5.4
83.05382	0.8
83.08612	3.3
85.02930	0.9
91.05483	8.9
93.07040	13.6
95.04978	4.1
95.08620	10.4
97.06533	2.6
97.10184	1.1
99.87153	1.1
105.07026	12.6
107.04971	4.6
107.08593	8.3
108.16551	1.0
109.06512	7.5
109.10153	5.7
117.07023	3.7
119.08584	7.5
121.06516	5.9
121.10183	5.4
123.08083	3.8
123.11720	1.9
129.07004	1.6
131.08560	10.0
133.10129	12.7
135.08073	2.8
135.11673	3.3
137.09593	2.0
143.08563	2.3
145.10129	7.6
147.08012	2.0
147.11710	10.3
149.09628	3.5
149.13249	1.6
151.11150	4.2
153.87263	0.9
157.10170	1.4
159.07983	1.2
159.11705	4.9
161.09621	2.1
161.13277	2.3
163.11188	3.4
165.11317	1.0
165.12732	1.4
171.11646	2.4
173.09660	1.5
173.13297	4.7
175.11186	2.1
177.12717	1.3
179.14371	1.2
187.11209	2.1
189.12878	0.9
190.97646	1.0
191.14345	2.4
201.12865	1.9
207.13766	2.2
215.17737	1.0
219.13852	3.4
229.19456	1.7
239.17981	1.9
247.20468	2.1
257.18988	8.8
257.57736	0.9
265.74088	0.9
275.20062	85.5
276.20419	3.1
293.21103	100.0
294.21442	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	472.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05035	1.5
57.03436	0.7
58.06337	0.3
58.06600	3.6
63.37022	0.2
67.05498	2.3
69.07062	1.1
70.06574	1.4
71.07372	0.4
71.35271	0.3
72.08147	1.4
75.48118	0.2
79.05489	1.0
80.79441	0.3
81.07050	2.9
82.06570	0.2
83.08608	0.7
84.08142	11.4
85.02908	0.3
88.07621	0.4
90.88165	0.2
91.05449	0.4
93.07049	1.0
93.68358	0.2
95.08606	2.7
96.08128	1.4
97.06502	0.2
97.08908	0.5
97.10173	0.3
98.09702	0.8
105.07056	0.6
107.08578	0.7
109.10168	1.0
110.09689	1.5
111.10452	1.2
112.11272	1.6
117.05745	0.2
119.08665	0.3
121.10132	0.4
124.11227	0.9
128.10684	1.6
130.06531	1.7
132.08083	2.6
135.11688	0.3
138.12779	0.3
142.06566	0.4
144.08078	5.5
144.09154	0.4
146.06007	5.8
147.11670	0.3
152.14366	0.3
159.09181	6.6
160.07602	0.3
165.11401	0.2
166.15909	0.2
170.06023	0.7
177.93616	0.2
180.17471	0.4
182.15347	0.3
188.07056	9.8
196.16910	0.3
205.09760	0.8
208.20578	0.4
222.22183	0.8
226.80620	0.2
249.23299	1.0
250.21648	10.0
251.21959	0.3
260.00934	0.2
267.21484	0.3
267.24310	4.5
268.22705	27.9
269.23071	0.5
285.25397	1.5
285.39365	0.3
286.23749	16.9
287.24185	0.5
392.30591	0.4
408.29996	0.9
410.31912	1.6
410.48483	0.2
426.31128	0.3
454.30609	12.9
455.31076	0.5
472.31683	100.0
472.82053	0.4
473.32043	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	472.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
58.06596	2.6
67.05505	3.0
69.40229	6.0
70.06600	12.2
72.37212	1.3
79.05499	1.5
81.07043	4.3
83.08607	1.3
85.02920	1.4
93.07060	2.0
95.08604	3.8
107.08603	1.5
109.10174	1.9
110.09672	1.8
111.18085	1.1
130.06552	1.8
132.08087	3.9
142.06522	1.9
144.08081	5.9
146.05983	10.7
159.09221	10.8
168.13809	1.8
169.83060	1.2
170.05965	1.7
175.98051	1.1
188.07086	14.8
221.24036	1.3
249.23268	6.0
250.21664	22.9
267.24316	4.8
268.22714	35.2
274.97720	1.9
286.23737	12.0
297.25443	2.8
383.56421	1.2
385.45233	1.4
386.21051	2.2
403.56128	1.4
454.30582	5.8
472.22726	4.0
472.31671	100.0
473.31934	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	472.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
56.00331	0.4
56.05030	4.0
56.44933	0.4
58.06599	15.9
60.04527	0.8
60.05648	0.6
67.05496	0.8
69.03442	1.3
69.07053	2.3
70.06592	14.4
70.51055	0.9
71.05003	0.7
71.06941	0.4
72.08153	15.0
74.06068	0.8
75.89514	0.4
79.05508	0.5
81.07063	0.6
82.06597	1.4
84.04491	1.2
84.08141	100.0
85.02906	1.7
85.06540	0.4
85.08474	1.0
86.09703	42.4
87.10020	0.5
96.08121	1.0
97.02901	0.4
98.22673	0.5
100.07651	0.7
101.10768	6.2
102.05566	0.5
107.04919	0.6
108.08144	0.4
110.07159	1.4
110.09666	2.5
111.09174	1.0
112.07585	0.9
112.08745	1.1
112.11254	1.1
114.09154	1.2
114.74290	0.4
115.08666	0.9
116.07085	1.8
119.04957	0.9
120.08105	0.8
121.53715	0.4
127.08702	1.5
128.10715	4.2
129.10237	68.7
130.04968	0.6
130.10580	0.9
131.10686	0.5
132.10217	0.7
135.04466	0.7
136.07556	0.9
137.02353	1.1
138.12773	3.8
139.08641	0.6
140.14334	0.5
143.11800	0.7
145.09840	0.5
147.04422	1.6
147.07649	1.1
148.04855	0.4
159.11227	2.9
163.03882	0.7
165.13824	0.4
167.15424	0.8
169.13354	0.8
170.11842	0.4
171.11186	0.4
172.06058	0.5
173.09171	0.9
177.05504	0.5
183.12471	0.6
183.14929	8.1
185.16481	4.0
187.10793	2.3
197.12811	0.7
197.16489	5.3
199.17996	0.6
200.17648	2.0
200.84666	0.4
201.12276	0.5
207.03001	0.5
210.15993	2.8
211.14406	1.5
213.09003	0.5
213.15962	3.5
217.11765	0.5
221.10001	0.4
228.17064	8.5
244.12981	0.5
245.18608	7.7
246.14529	0.5
258.14511	1.8
260.16040	0.4
260.19543	0.6
290.15973	2.1
292.13669	1.1
302.17288	0.5
306.21820	0.9
310.20184	1.1
311.05521	0.7
313.25903	1.9
323.05505	1.2
323.24423	2.8
324.06226	0.7
324.22946	1.3
329.21832	0.8
337.06924	0.5
341.06616	3.9
341.25485	7.6
344.25528	1.0
353.06491	1.6
357.21469	1.1
367.08157	1.1
395.07684	1.9
407.07483	0.5
419.07349	0.5
425.08591	1.1
437.08633	0.9
454.33731	1.0
455.09711	0.7
455.32458	0.8
472.25137	8.4
472.34747	43.7
473.10532	3.2
473.19540	0.6
473.35110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12099	2.8
52.59495	2.9
57.03440	9.1
59.05017	3.4
59.66346	2.5
61.02919	3.8
69.03056	4.4
69.03427	41.9
70.06591	3.0
70.76432	2.4
72.35132	2.5
85.02906	31.0
86.09718	11.4
87.04475	20.4
97.02899	28.0
107.04984	6.1
115.03935	34.2
130.06586	3.9
133.04974	23.9
143.07332	13.5
144.08089	97.5
148.37581	2.8
156.08092	8.6
157.08887	4.4
158.08461	4.9
158.09671	51.4
160.07587	4.3
162.09138	65.9
168.08105	12.5
174.09137	8.0
178.96495	2.9
182.09718	3.3
184.07568	10.1
186.09132	61.2
204.10199	100.0
228.10138	4.8
240.10226	5.7
270.11255	4.4
274.97580	5.5
276.12323	16.0
288.12354	7.1
290.20755	3.0
294.13254	31.7
306.13422	27.4
324.14432	6.4
348.14249	3.2
360.58289	2.8
366.46414	2.9
438.17502	6.6
473.19659	12.2
473.30936	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.05027	0.7
57.03428	0.3
61.84760	0.3
67.05486	0.7
69.03420	0.4
69.07062	9.6
70.02966	0.4
70.06606	1.4
71.44927	0.2
72.08148	0.8
79.05511	0.3
81.07076	0.3
84.08125	0.6
85.02903	0.5
85.04003	0.3
86.09701	100.0
87.10036	1.0
88.03977	3.7
93.07069	0.5
93.98349	0.3
96.08112	1.5
98.02414	1.6
98.09697	0.3
105.00090	0.3
105.07004	0.5
107.08608	0.5
109.10066	0.3
110.07110	0.3
110.09679	0.9
113.10726	0.4
115.05045	0.6
120.08117	0.4
120.98360	0.3
127.11182	2.3
128.11528	1.7
129.10248	0.6
132.10222	1.0
133.06117	0.5
138.09129	0.7
141.10204	4.8
142.08592	0.6
156.10194	6.7
156.11430	0.5
166.08672	0.8
170.11636	0.3
183.11267	1.7
184.09692	0.8
199.18056	0.7
201.12329	35.5
202.12648	0.4
222.10049	0.3
227.17505	0.6
229.11813	29.4
230.12206	0.6
236.83893	0.3
245.18599	21.1
246.18961	0.3
246.68854	0.3
258.25497	0.3
297.18112	1.1
311.18250	0.7
314.20688	0.3
329.15778	0.9
342.20209	5.6
411.19785	1.8
413.17838	1.1
473.20010	17.9
473.29504	3.3
474.20313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04581	0.4
55.05516	0.4
56.05038	2.0
58.06596	0.5
60.45827	0.4
67.05517	0.9
69.07074	5.7
69.24271	1.4
69.24671	1.0
70.06568	0.6
74.06081	5.1
78.16304	0.4
79.05489	0.6
81.07069	1.2
85.02891	0.7
86.09712	100.0
87.10016	0.7
91.05474	0.7
91.65701	0.4
93.07085	0.8
95.08602	0.7
98.06084	0.6
99.02481	0.4
105.07016	0.9
107.08605	1.2
109.10148	1.0
116.07133	0.6
119.08574	0.9
121.10188	0.7
126.05520	6.1
127.03904	0.6
131.08580	0.6
133.10179	0.9
144.06587	0.4
145.10089	0.5
146.11758	10.6
149.02393	0.7
149.09622	1.1
153.06635	1.3
157.13379	4.2
159.11598	0.6
166.80534	0.5
185.12878	2.0
187.14673	0.6
195.11459	0.6
197.09245	5.4
202.19563	0.5
203.05380	0.7
211.14502	0.6
214.30823	0.4
215.10310	2.5
217.15483	6.2
239.13921	13.0
249.18430	0.4
257.15002	11.9
259.20224	1.7
275.20035	0.8
300.19223	4.3
311.13675	2.1
311.21588	0.7
328.18713	7.9
330.24133	0.6
473.19687	1.9
473.27249	39.6
474.27795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.5
56.96564	8.5
57.07084	3.4
58.78907	2.1
60.62643	2.4
67.05495	19.0
69.07081	16.6
70.63325	3.4
71.04990	12.7
73.91097	2.4
79.05509	15.2
81.07063	26.7
83.04992	8.4
83.08627	5.2
91.05510	13.0
91.40139	2.6
93.07047	31.5
95.04981	3.1
95.08614	38.6
97.10165	3.1
99.08091	7.3
105.07027	34.9
107.08588	43.4
109.06488	2.6
109.10154	33.0
111.08121	3.5
111.11663	2.6
117.07033	12.4
118.92050	2.8
119.08592	47.4
121.10143	47.3
123.08069	4.2
123.11708	16.3
125.09679	4.3
127.11201	43.1
129.07011	6.1
131.08563	15.9
133.06479	3.2
133.10133	38.9
134.98195	5.7
135.08032	7.3
135.11699	40.1
136.93077	21.7
136.93907	2.9
137.13295	2.6
139.48997	2.4
143.08539	14.4
145.10123	31.4
147.08096	3.5
147.11685	34.0
149.09602	4.0
149.13261	9.9
151.11243	2.5
154.94171	43.9
155.08562	3.2
157.10101	14.9
159.11707	33.2
161.09689	6.1
161.13260	19.9
163.11224	6.7
163.14880	4.3
165.12715	4.0
167.53020	2.7
169.10164	7.0
171.11723	14.8
172.95242	60.5
173.13286	11.4
175.11247	4.1
175.14787	12.2
177.12723	5.8
177.16470	2.7
183.11737	9.9
185.13281	10.1
187.14786	13.1
189.12830	3.4
189.16338	17.3
190.96268	18.0
191.14305	4.0
191.18027	6.0
195.96889	7.8
197.13200	6.0
199.14902	11.3
201.16385	13.6
203.14326	12.4
203.17979	14.6
207.17479	3.6
209.13263	6.1
210.96863	15.2
211.14781	5.1
213.16429	7.5
215.14296	3.5
215.17979	9.9
217.15900	16.4
225.16512	3.2
227.17940	2.7
228.97823	20.0
229.15884	5.8
231.17517	5.6
233.19044	2.6
237.16423	2.9
239.17993	4.5
243.17520	4.1
245.19034	10.1
246.98817	3.7
250.13855	2.5
251.17966	4.3
253.19487	3.2
257.19040	8.1
295.20731	2.7
309.22171	2.6
319.19351	17.9
321.25797	3.0
327.26834	4.1
333.20490	2.8
337.20709	16.6
339.26855	16.2
351.26797	18.7
360.22226	4.5
365.28494	6.7
407.33084	59.4
408.33374	3.8
419.33160	19.5
425.34152	67.0
426.34213	3.7
437.34125	33.2
455.18689	21.5
455.35135	4.2
473.19809	100.0
473.25421	5.6
473.35367	4.4
474.20316	7.4
496.21246	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	474.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05822	0.2
68.41097	0.3
69.03424	0.8
69.07064	4.8
69.71375	0.6
69.71772	0.5
70.06583	1.2
72.08144	0.5
82.20214	0.3
84.08138	0.4
85.02908	1.7
86.09705	100.0
87.10032	0.9
97.02890	0.7
125.92844	0.3
127.03924	1.5
128.48601	0.3
129.10246	0.3
132.10201	84.7
133.06078	1.0
133.10568	0.6
145.04951	1.3
148.55038	0.3
163.06023	0.5
172.86157	0.3
175.11893	0.5
187.10764	0.7
222.06561	0.3
251.03008	0.3
261.92740	0.3
279.47549	0.3
345.12857	0.5
413.81592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39219	0.7
69.03420	1.7
70.06587	3.3
71.45682	0.7
83.08165	0.8
84.08138	1.2
85.02906	2.7
86.09701	100.0
87.04473	1.0
87.10024	0.9
89.54417	0.7
97.02881	2.0
113.50244	0.8
115.03912	1.3
117.09151	5.5
123.05518	0.9
127.03937	1.0
129.10280	0.8
132.10199	80.7
133.04897	1.0
145.04944	1.5
163.09703	1.6
187.10744	2.1
189.08855	1.3
286.46088	0.7
361.85593	0.9
361.90259	0.9
388.05087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41882	0.9
54.75108	1.1
57.03436	10.4
57.64481	1.1
59.04998	2.3
66.48512	1.0
66.92875	0.9
68.61961	0.9
69.03429	22.8
70.59701	1.4
70.60041	1.5
71.08628	1.7
72.08163	1.2
72.39269	1.0
81.03411	2.3
81.07055	2.2
83.00788	1.0
85.02903	21.0
86.09713	1.8
87.04465	19.0
97.02888	25.1
99.08088	11.8
109.06513	1.9
115.03934	35.7
115.07520	1.2
117.09128	100.0
118.09422	1.1
127.03881	2.1
127.07558	3.9
133.04967	31.0
133.08746	1.0
145.04987	1.5
147.07700	1.1
155.26143	0.9
163.09650	40.0
163.90436	1.1
186.00569	0.9
295.10294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
55.05511	0.2
56.05034	2.0
57.03428	0.4
58.06601	100.0
59.06936	0.5
61.02904	0.3
67.05495	0.3
67.12971	0.2
69.03446	0.5
69.07101	0.5
69.64613	0.9
70.06592	1.9
72.08151	2.0
73.05308	0.8
74.06091	0.8
81.03418	0.3
81.07060	0.3
82.06596	0.3
83.06132	0.3
84.04508	0.6
84.08163	1.2
85.02917	0.8
86.09706	10.6
87.10063	0.6
88.07626	2.3
97.02927	0.4
98.09734	0.3
101.07160	0.5
102.05528	0.3
108.08117	0.2
109.02855	0.3
110.09692	1.3
118.08658	1.4
118.77681	0.2
120.08163	0.2
121.02856	1.4
122.25507	0.2
128.10716	2.0
129.10268	0.9
133.06100	0.2
133.90750	0.2
141.10300	0.3
143.11821	0.7
148.06062	0.3
171.11395	0.7
184.07355	0.2
185.16533	0.5
187.10797	0.4
187.14417	2.0
191.03467	0.4
201.12334	1.7
213.16154	0.2
215.13950	1.2
229.11829	1.4
246.14508	0.7
252.19603	0.7
260.16034	0.4
261.14371	1.1
262.14749	0.4
267.06473	0.3
272.16116	0.3
281.04440	0.2
286.17703	0.3
290.15982	2.0
294.05206	1.1
294.20807	0.4
295.06110	0.7
296.06689	0.2
297.07773	0.2
307.05936	2.0
309.07651	0.6
312.21677	6.7
312.25320	0.3
313.06982	0.5
313.22104	0.2
317.12982	0.3
321.07605	0.6
325.07019	1.7
333.07559	0.3
337.07120	2.8
342.20169	0.3
349.07336	0.3
351.08594	0.4
355.08167	1.5
357.24707	0.3
361.07034	0.6
375.08838	0.2
379.08069	2.4
391.08179	0.8
403.08102	0.5
409.09210	0.3
415.08121	0.3
421.09384	0.8
427.08209	0.5
429.09720	0.3
439.10373	1.2
457.10855	2.2
474.26962	43.8
475.10217	3.8
475.27472	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.05034	2.8
58.35715	0.6
67.05500	0.9
68.05014	0.5
69.03460	0.7
70.06590	6.6
70.33163	1.0
71.39742	0.5
72.08155	19.8
72.20429	0.5
82.06562	0.6
84.04509	1.4
84.08144	100.0
85.02915	0.8
85.06560	1.1
86.09708	15.5
88.04005	0.6
94.00349	0.5
96.08143	1.4
101.10784	5.4
102.05550	0.7
109.23159	0.5
111.09219	0.9
112.08756	0.9
115.03928	0.7
115.08687	1.1
116.07062	0.9
117.09066	0.6
126.12830	0.6
126.73722	0.5
127.08690	0.5
129.10243	55.4
130.08641	1.2
130.10583	0.9
131.55598	0.5
139.08664	0.7
140.84900	0.5
141.10236	0.8
147.11311	1.3
152.14311	2.9
170.04066	0.5
175.12167	0.6
179.15317	0.6
183.14935	4.4
185.16470	3.3
197.16512	5.3
201.12407	1.6
213.15971	3.0
214.19197	0.9
224.17538	3.0
225.15910	2.4
233.11267	2.8
242.18668	7.1
278.22437	0.9
313.26111	0.9
323.24460	2.1
324.22638	0.8
340.39267	0.7
341.25494	5.3
345.13330	0.8
346.19797	1.6
456.28012	0.9
457.26569	0.6
474.29355	51.8
474.74954	0.6
475.29578	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	474.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99045	0.4
55.05507	2.6
56.05037	3.5
56.25710	0.4
56.96549	0.6
60.05646	0.8
67.05482	0.7
69.07072	2.3
70.06592	9.7
71.06902	0.6
71.18421	0.5
72.08156	21.9
81.03445	0.7
82.06578	1.9
84.04505	3.3
84.08143	100.0
85.06516	0.6
85.08479	1.6
86.09705	19.7
87.05577	0.6
88.03994	0.5
96.04490	1.1
96.08116	0.7
98.06048	0.6
100.11312	0.5
101.10773	5.9
102.05567	0.8
102.09205	0.5
110.07167	1.1
111.09206	1.3
112.07597	0.9
112.08722	1.9
112.84776	0.5
115.07558	2.1
115.08726	1.0
124.92805	0.4
126.05498	2.6
127.08710	1.4
128.07088	0.9
129.10242	68.9
130.05022	0.9
130.08632	1.3
130.10593	0.9
133.08653	0.8
134.04483	0.5
136.07663	0.7
138.05487	4.9
141.10287	1.1
143.11787	0.8
144.06580	1.0
147.07648	0.9
147.11296	2.1
152.14323	3.2
157.53357	0.4
159.07755	0.6
168.06590	0.6
173.12915	1.2
175.12016	0.8
180.08827	1.2
183.14903	5.0
185.16483	2.8
186.07658	0.6
197.16490	8.0
201.12331	4.6
213.15981	3.3
214.19226	1.0
224.17552	2.3
225.16019	1.0
228.13428	0.5
228.17197	0.8
229.11909	1.1
233.11299	3.0
242.18628	6.9
246.18217	1.1
260.04391	1.1
263.00177	0.5
306.21844	0.6
313.26123	1.8
323.24606	1.4
341.25418	4.5
342.25894	0.6
346.19836	1.1
372.12451	1.1
403.10352	0.5
457.26874	0.9
473.66489	0.7
474.29391	46.0
475.29861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36380	0.7
53.03950	1.0
53.23234	0.6
55.01871	0.8
55.05504	5.2
56.81546	0.8
57.03426	2.3
57.07076	2.8
61.02917	1.1
65.03938	1.0
67.05502	12.8
69.03432	3.4
69.07072	8.6
70.14732	2.0
71.04997	1.2
79.05496	11.5
81.03413	1.4
81.06569	0.9
81.07053	17.7
83.04984	2.6
83.08614	3.2
85.02908	9.9
85.06535	2.1
91.05482	7.8
93.07042	19.1
95.04967	1.2
95.08604	14.3
97.02892	3.1
97.06544	5.7
97.10178	2.2
99.04503	0.8
99.08070	1.1
99.31012	0.8
103.95718	0.8
105.07029	10.5
107.04981	1.0
107.08586	15.5
109.02879	0.8
109.06515	3.5
109.10149	6.1
111.08068	0.9
117.07037	2.3
119.08594	5.2
121.06533	1.0
121.10127	8.6
123.08052	2.8
123.11710	1.5
127.03934	1.5
129.06996	1.9
131.08568	5.3
133.10127	6.7
135.08075	1.1
135.11696	16.6
137.09648	1.3
143.08559	2.5
145.04988	1.5
145.10109	4.6
147.11693	5.1
149.09634	1.6
149.13257	7.6
151.11195	1.9
157.10135	1.5
159.11690	3.2
161.09566	1.1
161.13252	3.2
163.11185	2.2
163.14856	1.6
165.12698	1.1
171.11713	3.0
173.13193	1.7
175.14801	2.4
177.12688	1.0
180.08650	2.5
185.13234	1.9
187.14825	0.9
189.12793	0.9
195.13841	1.3
199.14764	1.9
207.13828	3.9
213.16179	0.9
218.14365	0.8
221.15343	5.1
241.19481	5.3
249.22092	1.2
259.20578	16.5
264.20276	1.0
277.21619	100.0
278.21964	2.8
295.22656	80.7
296.23010	2.7
424.73239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.05508	17.1
57.03449	13.0
61.02910	5.8
65.03933	3.2
67.05507	48.4
69.03421	9.3
69.07085	14.0
69.31053	11.8
71.04982	2.7
77.07334	1.9
79.05492	61.5
81.03393	4.7
81.07059	69.7
83.04957	4.2
83.08624	11.9
85.02913	26.7
85.06557	5.3
91.05478	30.4
93.07048	70.1
95.04948	10.2
95.08607	66.3
97.02909	7.4
97.06536	5.5
97.10172	4.4
98.23466	4.9
99.08085	4.1
105.04507	4.0
105.07027	26.7
107.08585	48.7
109.06531	7.7
109.10147	25.3
111.08108	4.8
117.07035	11.0
117.09383	2.2
117.25389	2.3
119.08569	24.1
121.10140	49.6
121.10977	3.9
123.08083	2.7
123.11765	5.1
125.09675	2.5
127.03931	5.9
129.06998	4.5
131.08556	17.4
133.10112	21.9
135.08051	3.4
135.11707	38.6
137.09607	6.1
143.08563	4.3
145.04947	6.6
145.10133	14.9
147.11694	11.9
149.09645	3.3
149.13257	24.3
151.11122	3.2
157.10185	3.2
159.11664	15.0
161.13295	5.9
163.11153	2.9
163.14891	7.7
165.12741	3.1
171.11746	6.1
173.13281	7.2
175.14876	5.7
177.12846	3.9
180.08670	5.9
181.12282	4.4
185.13222	5.6
187.14824	13.9
195.13788	6.7
199.14821	4.9
201.16393	4.3
203.17979	3.0
205.15884	7.3
207.13792	4.3
213.16463	3.6
219.17403	2.4
221.15408	4.9
221.19011	3.8
223.16956	2.9
237.18439	6.0
241.19539	10.1
259.20535	18.3
277.21616	100.0
278.22064	3.2
401.93005	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	474.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01862	5.7
55.05510	19.2
57.03422	7.1
57.07040	3.8
60.05636	5.4
67.05506	46.2
67.11105	2.8
69.03413	5.8
69.07061	21.2
69.15403	2.7
71.04990	4.4
79.05486	27.3
81.03404	5.2
81.07059	45.1
83.04958	3.6
83.08614	12.6
85.02890	22.0
91.05489	22.7
93.07043	45.4
93.78803	2.8
95.04939	7.3
95.08595	29.5
97.02872	5.7
97.06521	7.5
97.10156	5.9
105.07010	20.5
107.08600	33.8
109.06508	7.8
109.10157	24.3
111.08075	4.0
116.25125	2.7
117.06979	3.9
117.27937	2.7
119.08584	19.9
119.38488	2.9
121.10151	30.3
123.08025	6.6
123.11707	8.7
125.09615	3.8
127.03936	4.8
131.08557	8.2
133.10153	14.8
135.08049	3.0
135.11679	23.1
145.04887	4.8
145.10091	4.9
147.11697	16.0
149.09552	4.4
149.13280	10.9
154.02618	2.9
159.11647	5.6
161.13223	8.2
163.14830	6.8
165.12737	7.8
171.11658	4.9
173.11702	5.9
175.14845	4.4
177.12700	3.0
179.14305	5.0
185.13251	5.1
187.14825	3.1
189.12625	2.7
207.13809	3.5
229.14313	13.6
241.19470	6.3
256.61841	3.5
259.20599	8.4
267.15976	9.3
277.21616	100.0
278.21805	3.4
285.16916	5.5
295.22662	9.5
303.23032	7.8
319.04535	3.0
333.23889	4.5
338.19794	3.1
405.25790	3.5
439.26935	8.6
450.60883	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	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.03439	5.2
57.07079	5.4
58.06599	32.3
59.07382	10.2
60.08160	10.0
64.12254	0.7
67.05497	3.6
69.07060	1.7
71.08630	4.5
71.46885	0.9
73.02895	0.9
75.04475	2.3
78.51263	0.7
79.05497	0.9
81.07062	3.3
83.08627	1.0
83.38293	0.8
84.08125	0.8
85.02901	1.5
85.10185	2.3
86.32105	0.7
87.04483	4.4
91.05482	0.7
93.44353	0.9
95.08613	3.3
97.10156	0.8
109.10161	1.6
113.06012	1.5
131.07021	1.5
136.93105	1.2
141.16859	0.7
144.10194	8.4
154.94159	1.6
162.11267	1.0
172.95261	2.2
190.96315	1.1
228.98001	0.7
236.14920	80.2
237.15120	1.0
313.27463	1.6
320.20053	0.7
338.20959	0.8
450.90302	0.9
456.19040	1.3
456.36841	21.7
457.37231	1.4
474.20212	3.4
474.37912	100.0
475.31284	1.3
475.38281	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2155
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
50.68085	0.3
59.91864	0.3
67.05486	0.4
69.03426	0.6
69.21243	1.1
69.21665	1.0
70.06593	2.6
71.67381	0.3
72.08166	1.2
72.22505	0.4
81.07054	0.7
84.08144	0.7
85.02921	0.6
86.09707	3.1
91.05496	0.4
95.08603	0.5
120.07170	0.3
120.08114	1.0
124.17227	0.3
133.10120	0.4
141.32904	0.3
143.66179	0.4
189.08768	0.4
229.15498	0.5
241.82126	0.3
263.14401	0.4
303.07001	0.4
305.08456	0.7
313.16418	0.4
355.16080	0.5
363.08997	15.6
364.09583	0.4
365.10660	1.0
401.24176	0.4
453.78186	0.3
474.77762	0.7
475.21539	100.0
475.32678	4.4
476.21954	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	476.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03423	0.8
61.49961	0.5
66.57192	0.5
69.03421	2.3
70.02947	2.2
70.06591	0.8
70.94851	0.7
71.04990	1.2
74.02442	44.0
74.72178	0.4
85.02909	6.2
86.09702	3.2
87.10038	0.5
88.03994	46.7
88.07625	0.7
97.02893	3.2
97.27851	0.5
109.02845	0.7
112.89588	0.6
116.03458	21.2
127.03915	6.2
132.10222	3.0
133.06078	1.1
134.04492	100.0
134.08131	2.3
145.04956	4.7
163.06006	1.7
243.91716	0.5
348.77072	0.5
373.34677	0.6
441.40280	0.5
481.23956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03438	22.0
59.04998	4.5
60.04515	4.4
61.02924	2.5
62.82302	1.3
63.04124	1.2
69.03428	82.6
69.17922	2.2
69.18327	6.8
71.04958	1.2
73.02917	5.2
75.04459	2.4
78.60642	1.4
79.18919	1.5
81.03419	4.5
83.01350	1.3
85.02902	61.8
87.04468	59.6
91.03981	2.0
97.02889	71.2
99.04496	1.9
105.07034	7.2
107.04952	13.5
109.02839	3.9
115.03928	95.4
116.04314	1.5
124.05209	13.3
127.03893	6.7
133.04964	100.0
133.06511	6.1
134.05339	1.6
135.04485	2.3
137.05989	16.8
144.06604	2.6
145.04941	11.4
150.07617	11.9
151.07608	1.9
158.26695	1.5
159.65785	1.5
161.09706	1.4
162.07616	3.0
163.05997	1.6
165.09106	35.1
166.09290	1.5
189.09122	4.4
192.63245	1.3
193.04926	1.4
201.09125	4.3
207.10159	3.0
231.10162	2.0
241.07071	2.7
243.10139	2.9
257.99289	1.5
259.08337	2.8
261.11279	2.3
277.09286	3.9
295.10049	2.0
425.84616	1.5
475.32697	5.3
476.32849	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01860	2.2
57.03441	4.7
58.06584	2.3
61.02927	9.0
69.03429	15.4
69.33184	2.1
71.04993	1.8
73.02924	4.2
81.03413	6.2
85.02905	100.0
86.03224	0.9
86.87511	0.7
87.04460	2.1
91.03960	4.4
97.02895	24.7
97.57658	0.6
98.88662	0.6
99.04470	4.0
103.03944	1.0
107.04955	0.8
109.02879	6.8
115.03944	1.7
120.08138	1.2
127.03917	24.2
127.04863	1.3
135.08023	1.3
144.06573	0.9
145.04958	55.2
161.98322	0.7
163.06013	19.6
171.08125	1.7
180.08635	1.6
191.20535	0.7
196.69037	0.7
201.09067	1.8
215.08740	0.7
306.70657	0.7
325.11163	0.9
383.37366	0.7
475.32581	22.9
476.32925	53.0
477.29016	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22164	0.6
55.01857	0.9
55.05500	1.4
57.03452	0.7
58.86489	0.6
62.06077	0.9
67.05499	1.4
69.03407	2.6
69.07076	0.7
69.95451	0.6
70.06573	1.1
70.16129	1.5
70.21705	0.6
71.08627	5.6
71.27966	0.6
72.08141	2.4
73.02911	1.5
79.05492	0.9
81.03410	0.8
81.07041	2.7
84.04511	0.6
84.08133	1.6
85.02483	0.5
85.02910	4.5
85.06548	0.6
85.35192	0.5
86.06076	3.8
86.09673	0.9
91.05459	1.0
93.07040	1.6
95.08601	1.9
96.08118	2.2
97.02872	2.0
98.06057	1.1
98.09677	2.4
98.22822	1.0
99.04439	0.8
99.08096	2.2
101.02370	2.4
103.03948	0.7
105.07027	1.4
107.08600	1.6
109.06504	0.8
112.52036	0.7
116.10728	12.3
119.08556	1.3
120.08069	0.8
126.05486	1.1
127.03904	2.0
133.10036	0.7
136.11259	1.0
140.10654	0.8
143.10667	1.9
144.06538	2.2
145.04947	1.9
147.11665	3.6
151.07562	1.2
153.12747	0.7
154.15889	2.6
156.00217	0.7
166.15924	1.8
175.74542	0.7
178.15932	1.0
196.16936	6.5
198.11259	2.5
214.18005	100.0
215.18361	2.4
216.12326	1.8
296.18402	1.9
314.19620	21.1
381.28796	0.6
435.06790	0.9
470.60681	0.7
476.21823	0.6
476.25183	0.9
476.31161	6.8
477.24316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
57.03438	13.7
57.07075	45.8
67.05509	9.9
69.07064	9.6
69.77073	0.9
69.85991	1.8
71.08271	1.9
71.08633	31.0
71.73881	1.0
79.64501	1.1
80.94845	1.2
81.07046	11.4
83.08612	12.5
85.09696	1.3
85.10179	18.8
87.69714	1.0
89.06019	4.5
95.08600	21.3
97.10184	5.8
103.07606	1.8
109.10139	9.8
111.11739	1.2
120.96636	90.4
123.11726	5.7
124.93729	4.7
137.13293	1.9
138.97650	1.7
142.94766	1.7
145.99788	4.7
154.22983	0.9
154.24368	1.0
164.00835	78.3
189.45546	1.2
195.00340	3.2
200.01695	1.6
205.03477	1.6
238.03091	1.2
239.23735	2.5
242.11383	0.9
257.24823	3.5
258.41180	1.0
273.22308	1.1
313.27362	62.5
335.25638	3.9
433.23245	100.0
434.23740	3.7
459.11288	1.7
476.27463	50.1
477.19751	6.4
477.26837	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52160	0.6
53.03947	0.7
55.01872	0.7
55.05291	0.7
55.05520	7.3
57.03447	4.9
62.06084	0.8
65.03946	0.8
67.05507	27.9
69.07064	6.4
69.79647	1.6
69.80025	1.3
71.04963	1.0
79.05489	12.5
80.94849	0.7
81.07060	24.3
83.08630	2.1
90.25543	0.6
91.05470	6.1
93.07045	15.6
93.07603	1.0
95.04984	1.3
95.08607	20.9
97.06502	0.9
97.10175	1.1
98.06023	0.6
105.04531	0.9
105.07040	3.6
107.08596	5.7
109.10175	5.2
117.07035	1.2
119.08572	2.2
121.10145	6.9
123.11774	1.6
131.08603	2.3
133.10149	1.6
135.11676	2.8
145.10136	1.1
147.11703	1.0
149.13319	0.8
164.92009	0.8
173.13226	0.9
250.75131	0.6
297.00571	0.7
304.26404	2.7
335.25809	100.0
336.26050	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02755	0.8
55.05515	8.6
57.03432	4.2
57.07076	0.9
62.06091	37.1
65.03938	1.0
67.05209	0.9
67.05507	25.8
69.07070	9.2
69.26151	2.6
69.26553	1.9
77.03947	0.9
79.05494	15.7
81.07057	23.8
83.08608	3.2
91.05477	9.8
93.07045	18.9
95.04966	2.7
95.08607	19.1
95.09205	0.9
97.06531	1.2
97.10153	1.1
98.06026	1.2
98.23450	2.0
98.98469	8.1
99.08115	1.0
105.07019	5.8
107.08595	8.3
109.06476	0.8
109.10166	5.8
117.07009	2.3
119.08592	5.7
121.10161	8.2
123.11703	1.8
124.01594	1.9
131.08560	3.6
133.10129	3.6
135.11664	4.0
142.02773	1.0
145.10139	2.5
147.11690	3.4
149.09682	1.3
149.13220	1.2
155.01027	3.7
159.11711	1.6
161.13254	1.9
163.14769	1.3
173.02145	2.1
173.13330	1.4
198.05231	1.6
202.13429	1.1
216.06291	4.9
230.29298	0.8
243.21182	1.3
261.22205	6.2
289.87558	0.9
304.26328	12.6
317.24872	1.4
335.25797	100.0
336.26035	3.3
356.55817	0.9
415.22656	1.4
458.26733	5.0
467.38141	0.8
476.27759	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	8.2
55.20511	3.7
57.03433	5.2
62.06092	39.3
67.05511	31.2
69.07065	7.7
69.68253	5.6
69.68594	13.0
71.38327	4.0
79.05502	18.5
80.94852	8.4
81.07066	23.2
82.94566	4.2
83.08588	6.8
91.05476	10.6
93.07032	28.2
95.04966	4.2
95.08605	18.6
98.06065	4.4
98.98460	9.7
105.07036	7.1
107.08595	12.2
107.50376	4.3
107.96077	3.7
109.10148	7.6
110.35249	3.7
113.06043	6.2
119.08598	6.8
121.10153	12.2
133.10133	6.3
135.11642	6.6
141.47925	3.6
149.13258	4.4
163.14781	8.3
164.91962	3.7
177.16396	4.2
243.21149	7.8
261.22110	12.2
263.76758	3.5
304.26434	13.4
335.25803	100.0
336.25989	4.1
458.26382	6.3
476.26990	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	476.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27831	0.3
55.01845	0.6
55.05512	2.0
56.05040	2.3
57.03428	0.3
58.06603	4.3
60.05610	0.3
64.62753	0.3
67.05508	3.5
69.03436	2.2
69.07076	2.8
70.06591	9.5
71.04961	1.3
71.06956	0.3
71.07340	0.9
72.08159	7.4
73.02891	0.6
74.06035	0.6
79.05496	1.9
81.03384	1.0
81.06632	0.4
81.07061	6.4
82.71664	0.3
83.04948	0.4
83.08627	1.9
84.04453	0.4
84.08147	10.1
84.24364	0.3
85.02894	2.8
85.06537	0.5
86.09271	0.5
86.09710	4.6
87.04450	0.4
87.05560	0.5
87.10011	1.0
88.07601	0.6
91.05486	1.7
91.40062	0.4
93.07028	1.5
95.04977	0.6
95.08605	4.7
96.08116	1.3
97.02853	1.4
97.10146	0.7
98.09681	2.5
99.04449	0.5
99.08064	0.3
101.62083	0.3
103.03930	0.6
105.07014	1.5
107.08562	1.5
108.08094	0.4
109.02830	0.4
109.10154	2.4
110.09635	1.5
111.08054	0.6
112.10501	0.5
112.11243	8.9
114.09196	0.5
116.07073	0.6
117.06968	0.4
120.08121	2.3
121.02832	1.5
121.10111	1.0
122.03168	0.6
123.07956	0.4
123.11730	0.6
124.11221	0.5
127.03893	1.4
127.99695	0.4
128.10735	0.6
129.10208	0.6
130.06531	0.6
131.08551	0.4
133.10095	0.8
135.08002	0.4
138.12733	0.4
141.15631	0.4
142.12212	0.5
143.11766	0.4
145.04875	0.5
147.04367	0.4
147.08054	0.4
147.11684	0.8
159.11665	0.3
165.09091	0.7
168.13812	1.4
175.08644	0.6
176.53343	0.3
186.14911	2.9
207.02887	0.4
223.85281	0.3
226.18024	1.8
234.12309	0.5
236.20094	4.6
244.13826	0.4
252.19513	0.6
254.21150	80.8
255.21452	2.3
261.15103	0.4
262.11777	0.5
272.22220	1.3
278.21155	0.7
294.05225	0.5
295.05643	1.2
296.06412	0.8
296.22220	3.3
296.25436	0.6
298.07916	0.4
307.05978	0.8
308.06308	1.9
309.07169	0.8
310.07870	1.0
314.23242	100.0
315.23517	3.9
322.07886	0.5
323.08768	0.7
325.06985	1.2
326.07462	3.0
337.06970	1.0
338.07324	3.4
350.07538	0.5
352.09161	0.6
355.08185	0.4
356.08502	1.2
361.18622	1.0
362.07504	0.6
368.08670	0.5
380.08441	2.4
392.08389	1.1
398.25409	0.6
410.09592	0.5
416.26526	3.1
422.09531	1.0
440.10651	0.8
454.50629	0.5
458.11404	2.9
458.27399	0.4
476.10712	4.4
476.28540	77.1
477.11612	0.5
477.18472	0.7
477.29126	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	476.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05549	1.9
56.05074	1.1
57.03469	0.5
57.34790	0.4
58.06634	1.0
61.02951	0.7
67.05507	3.3
69.03433	2.1
69.07072	2.4
70.06594	11.1
71.05030	0.7
71.07416	0.6
72.08150	4.3
73.02953	0.8
79.05537	1.6
81.03445	0.8
81.07056	5.3
82.06600	0.6
83.05025	0.4
83.08648	0.7
84.08145	4.3
85.02908	4.1
85.03339	0.4
85.06590	0.5
85.08953	0.6
86.09711	5.2
87.04514	0.9
87.10077	0.5
88.07668	0.4
89.06048	0.5
91.05035	0.5
91.05545	1.5
93.07029	2.0
95.05012	0.7
95.08616	2.8
96.08189	1.1
97.02942	1.7
97.06568	0.9
97.10185	0.6
98.09681	4.6
99.04509	0.5
103.03982	0.5
105.07083	1.0
107.08645	1.6
109.02898	0.5
109.10166	2.7
110.09728	1.8
111.10489	0.5
112.11246	5.8
114.09228	1.2
116.07127	0.9
117.07056	0.9
120.08141	0.9
121.10194	1.0
123.08121	0.5
123.11723	0.5
127.04007	1.1
128.10774	1.2
129.10274	0.6
147.04546	1.4
159.09215	0.6
168.13800	2.8
177.05493	0.5
186.14909	5.6
202.12689	0.6
213.15936	0.5
219.96585	0.5
226.18146	0.7
229.36543	0.4
233.93147	0.4
236.20107	3.3
241.15372	0.8
254.21147	100.0
255.21471	2.7
296.22223	1.5
296.25757	1.1
307.05701	0.4
308.06189	0.7
309.07190	0.5
314.23267	69.4
314.26666	3.5
315.23853	2.4
315.26910	0.4
326.07349	1.2
326.27121	0.6
356.08228	0.9
359.95258	0.4
389.78937	0.6
392.08417	0.6
416.26501	3.8
458.11481	0.4
476.28256	64.5
477.28516	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	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.05513	21.1
56.05030	1.8
57.03440	6.8
57.07079	30.2
58.06609	2.0
61.02914	2.0
67.05514	1.7
69.03435	7.7
69.07082	2.0
70.06593	15.9
71.05010	3.3
72.08157	3.7
73.02933	3.0
74.06091	1.5
79.05515	8.6
81.03425	8.5
81.07057	100.0
83.04983	33.5
83.05440	2.8
84.08151	2.0
85.02909	22.1
85.06523	8.1
86.06129	1.5
86.09720	10.9
91.05485	1.7
93.07057	3.2
95.05000	4.2
95.08618	4.3
96.08144	4.4
97.02895	16.4
99.04454	20.9
99.08096	90.8
100.08451	2.0
103.03939	24.4
105.07071	1.5
105.10618	1.3
109.02870	10.4
109.06516	3.0
109.10177	1.6
113.36901	1.4
114.09171	14.4
115.03944	4.6
115.09517	2.9
119.08595	1.8
120.08112	4.0
121.06501	2.0
121.10156	1.5
123.04380	1.4
127.03915	37.1
127.04846	2.0
127.11201	2.8
133.04970	4.3
137.06032	3.1
137.13254	1.5
145.04988	10.3
151.11174	2.0
153.12749	63.1
155.14313	36.7
155.15479	2.8
161.04434	2.6
163.05978	4.2
179.05539	4.5
198.11290	4.8
199.11656	3.4
216.12349	3.4
217.12503	4.7
235.13258	2.6
243.17108	1.9
247.08180	1.6
261.09631	1.7
287.07590	7.3
305.08731	11.9
313.00574	1.6
315.27222	2.1
323.09586	2.3
428.18387	1.7
476.32596	5.5
477.24115	5.1
477.32523	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	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.05513	21.1
56.05030	1.8
57.03440	6.8
57.07079	30.2
58.06609	2.0
61.02914	2.0
67.05514	1.7
69.03435	7.7
69.07082	2.0
70.06593	15.9
71.05010	3.3
72.08157	3.7
73.02933	3.0
74.06091	1.5
79.05515	8.6
81.03425	8.5
81.07057	100.0
83.04983	33.5
83.05440	2.8
84.08151	2.0
85.02909	22.1
85.06523	8.1
86.06129	1.5
86.09720	10.9
91.05485	1.7
93.07057	3.2
95.05000	4.2
95.08618	4.3
96.08144	4.4
97.02895	16.4
99.04454	20.9
99.08096	90.8
100.08451	2.0
103.03939	24.4
105.07071	1.5
105.10618	1.3
109.02870	10.4
109.06516	3.0
109.10177	1.6
113.36901	1.4
114.09171	14.4
115.03944	4.6
115.09517	2.9
119.08595	1.8
120.08112	4.0
121.06501	2.0
121.10156	1.5
123.04380	1.4
127.03915	37.1
127.04846	2.0
127.11201	2.8
133.04970	4.3
137.06032	3.1
137.13254	1.5
145.04988	10.3
151.11174	2.0
153.12749	63.1
155.14313	36.7
155.15479	2.8
161.04434	2.6
163.05978	4.2
179.05539	4.5
198.11290	4.8
199.11656	3.4
216.12349	3.4
217.12503	4.7
235.13258	2.6
243.17108	1.9
247.08180	1.6
261.09631	1.7
287.07590	7.3
305.08731	11.9
313.00574	1.6
315.27222	2.1
323.09586	2.3
428.18387	1.7
476.32596	5.5
477.24115	5.1
477.32523	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	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.43661	0.5
55.01861	0.6
55.05496	1.2
57.03423	1.0
61.02921	0.7
67.05501	5.5
69.03410	0.9
69.07069	1.5
70.06606	0.6
71.04971	0.5
72.08134	0.6
79.05495	2.1
81.03416	4.8
81.07061	5.8
83.04984	1.4
83.08626	0.8
85.02912	1.5
86.09708	1.4
91.05476	2.2
93.07037	4.8
95.04955	1.7
95.08614	4.1
97.06544	0.6
100.11266	1.1
105.07025	1.6
107.04965	3.4
107.08607	1.9
109.06528	0.7
109.10150	0.6
111.08084	0.6
117.07007	0.9
119.08587	1.4
120.08099	0.7
121.06519	1.4
121.10149	0.9
123.04395	0.7
123.08050	2.4
123.11699	0.6
127.03826	0.7
131.08585	1.3
133.10127	0.8
135.08002	0.6
135.11691	2.8
145.06508	1.3
145.10136	0.9
147.11682	1.1
148.12076	0.7
149.13272	0.8
159.08084	0.6
159.11661	3.1
165.09148	0.9
176.08124	1.0
176.27948	0.5
177.12776	1.5
182.15392	0.6
187.11201	2.5
195.13837	0.8
201.03717	1.7
204.84842	0.5
205.12239	0.6
223.13327	1.1
241.14305	3.0
279.15884	9.0
297.16953	21.4
300.94812	0.6
315.19351	0.5
324.15439	3.0
448.30756	0.5
477.24573	100.0
478.24805	2.9
496.61432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76054	1.5
98.23391	0.7
115.47259	0.5
167.25119	0.4
185.04202	2.6
309.05609	0.4
315.19299	66.7
316.19653	2.9
333.19101	0.5
395.44296	0.5
477.24591	100.0
478.24973	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	477.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99483	0.6
60.18320	0.7
62.45017	0.7
65.99248	0.6
67.05502	0.6
69.22029	3.9
93.06984	0.8
98.23361	1.3
104.16949	0.6
119.88988	0.7
131.76639	0.6
164.91992	0.7
167.02017	0.6
172.89436	0.7
185.04269	1.6
199.35690	0.6
214.42978	0.7
315.19305	100.0
316.19669	2.9
477.24570	90.7
478.24875	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	477.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29433	0.7
56.44979	0.7
57.89198	0.7
66.92513	0.6
67.05495	0.8
69.20247	3.7
69.20653	1.5
75.47858	0.7
93.07044	0.7
109.10179	0.7
149.94545	0.8
185.04240	0.9
196.40630	0.7
249.11096	1.5
315.19318	91.3
316.19745	3.0
409.30576	0.8
477.24606	100.0
478.24979	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3191
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
62.29755	1.0
62.98256	1.2
65.07067	1.0
70.00125	3.7
81.07077	1.5
85.77315	1.1
93.07003	1.3
98.23427	1.4
106.05888	1.1
120.59855	1.1
155.21553	1.1
253.55833	1.4
436.61438	1.0
445.29233	26.3
447.30762	1.7
477.31879	100.0
478.32315	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
52.59216	0.3
52.84798	0.3
53.03939	0.3
57.03429	1.9
61.02917	0.5
69.03438	1.7
70.71628	0.5
73.02918	5.4
77.03931	0.6
80.68731	0.3
85.02912	2.8
95.04980	1.0
97.02879	3.3
103.05464	56.0
104.05821	0.5
105.03875	0.3
105.04538	0.5
109.21378	0.3
115.03931	2.7
127.03912	1.1
131.04924	88.4
132.05289	1.7
132.06563	0.3
133.04990	0.6
133.06517	0.5
145.04938	1.6
149.05974	100.0
150.06326	1.9
150.07637	1.0
163.05994	0.8
198.09671	0.5
241.07103	0.6
259.08115	0.8
271.44110	0.3
295.10263	1.3
330.13928	0.4
339.20325	0.3
394.26245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60697	0.3
51.02375	0.6
53.03937	0.3
57.03439	2.1
61.02918	0.8
63.74341	0.3
69.03427	1.6
70.26181	0.3
70.60015	0.3
70.94530	0.4
70.94910	0.3
73.02914	5.6
77.03913	0.7
85.02900	2.7
86.09707	0.3
87.04443	0.4
95.04944	1.0
97.02876	2.4
103.05463	52.9
104.05790	1.0
105.04545	0.4
115.03928	2.3
123.04485	0.4
127.03914	0.9
131.04922	91.6
132.05240	1.5
133.04945	1.0
145.04973	1.4
149.05974	100.0
150.06313	1.7
150.07500	0.7
151.07574	0.4
163.06012	0.9
172.82025	0.3
198.09673	0.4
199.99052	0.3
241.07094	0.4
259.08176	0.8
295.10178	1.3
315.64194	0.3
330.13889	0.6
495.38040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	0.4
54.48435	0.2
55.01869	0.4
55.05513	10.0
57.03441	5.4
57.07077	1.5
62.06076	0.4
64.92091	0.2
65.03934	0.7
67.05505	21.5
69.07067	12.2
69.07388	0.2
70.02338	0.3
70.02684	0.3
71.04996	0.7
71.08620	0.6
79.05497	5.1
81.07056	19.3
82.07397	0.2
83.04977	0.7
83.08624	5.5
85.06546	0.4
85.10210	0.2
91.05478	3.2
93.07047	5.1
95.04960	0.3
95.08607	14.4
97.06516	1.3
97.10166	2.8
98.06055	0.2
98.98454	0.4
99.08070	0.4
105.04494	0.2
105.07031	2.4
107.08604	3.1
109.06484	0.3
109.10157	5.8
111.08077	0.6
111.11696	0.6
119.08590	1.9
121.10143	2.3
123.08076	0.2
123.11705	2.4
124.01617	0.4
125.09639	0.4
133.10135	2.3
135.11714	1.3
137.09583	0.4
137.13249	0.8
139.11166	0.3
147.11667	1.1
149.13252	0.4
151.11261	0.2
151.14830	0.4
161.13243	1.1
163.14839	0.4
168.75873	0.2
175.14844	0.7
175.76088	0.2
188.46877	0.2
189.16389	0.3
198.05267	0.4
216.06311	0.7
245.22765	0.3
250.45650	0.2
255.52689	0.2
263.23636	0.8
306.27917	3.4
308.22427	0.2
337.27356	100.0
338.27631	2.7
472.81229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05514	9.2
57.03436	3.0
62.06091	29.4
67.05505	21.4
69.07078	9.8
70.95619	1.6
79.05501	7.2
81.07061	21.2
83.08630	4.9
91.05502	3.3
93.07057	7.3
95.08607	17.5
97.10211	1.7
98.98452	7.8
101.01835	1.5
105.07064	2.4
107.08607	4.4
109.10165	5.1
119.08586	3.6
119.63850	1.6
121.10158	2.1
123.11730	2.1
133.10136	2.1
145.50639	1.7
155.01068	6.3
164.45862	1.4
216.06352	3.0
263.23764	8.1
306.27908	10.7
337.27365	100.0
338.27615	2.9
460.28125	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	478.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.07074	0.6
67.05502	1.3
69.07057	1.1
69.25558	1.8
70.06589	100.0
71.06919	0.7
79.05484	1.0
81.07067	2.1
83.08627	0.5
93.07030	1.3
95.08625	1.4
97.06519	0.4
97.10166	0.6
98.23494	0.3
107.08595	0.6
107.85863	0.3
109.10138	0.8
121.10149	1.4
128.07077	0.3
130.08635	73.4
135.11681	0.8
149.13284	0.6
215.82767	0.3
217.19296	0.3
262.36334	0.3
325.41205	0.3
372.29382	0.3
373.50388	0.3
418.40588	1.6
478.42523	42.9
479.42957	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46484	2.8
70.46811	5.8
74.79559	2.8
81.61839	2.5
94.93021	9.9
120.53349	2.7
136.94020	78.9
136.95004	5.7
141.78111	2.9
148.93007	3.5
148.94022	21.3
162.84645	2.6
166.95068	34.6
196.96158	11.4
202.89146	6.1
256.98196	19.7
344.85754	5.3
381.07956	100.0
419.03479	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05005	2.5
70.06603	3.8
70.20770	4.6
70.21102	2.3
72.08151	4.1
81.67645	2.2
83.20316	2.0
84.08133	3.0
87.23689	1.9
94.93011	35.8
96.92839	2.9
106.98009	2.2
112.89639	7.9
114.89291	3.1
116.17648	2.0
120.94576	2.6
134.98396	2.0
136.94025	91.8
148.94031	22.6
149.31078	2.1
154.94202	4.2
166.95079	34.8
172.95299	3.7
173.12862	2.6
176.93568	8.3
182.94635	8.6
184.94417	4.4
196.95117	3.4
196.96193	8.3
202.89154	5.3
206.88596	3.0
208.96071	2.0
212.85219	2.5
214.96278	4.0
220.90366	2.5
232.90198	4.7
234.89897	2.8
248.89642	7.8
250.93585	8.0
255.10356	2.3
256.90527	2.3
256.98236	19.3
282.96109	4.1
298.98517	2.5
304.86261	4.4
344.85678	3.5
381.03033	4.8
381.07932	100.0
382.08130	4.0
419.03500	78.2
478.93661	2.2
479.05142	3.7
479.12338	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	479.2619
Annotation	Pharboside G
Peak:m/z	Relative Intensity
63.16257	0.4
67.80584	0.4
69.71486	1.4
104.75970	0.4
118.90662	0.5
135.00768	0.4
185.02597	0.7
185.04195	5.7
185.37292	0.5
299.19861	5.8
317.20877	61.7
318.21167	1.7
479.26175	100.0
480.26489	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	479.262
Annotation	Pharboside G
Peak:m/z	Relative Intensity
51.45677	0.6
65.48863	0.7
70.07016	2.0
70.79837	0.8
111.45123	0.8
119.61511	0.7
160.94759	0.7
172.71889	0.7
174.92941	0.7
179.90764	0.8
185.04190	7.2
246.06143	0.7
296.96597	0.7
317.20868	94.8
318.21057	3.4
431.32346	0.8
479.26102	100.0
480.26251	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	479.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.9
69.29842	1.2
69.30242	2.9
79.05479	1.5
81.07035	3.0
91.05480	1.8
93.07021	1.4
95.08615	1.1
105.07015	1.1
107.08591	1.3
113.05833	0.7
117.09547	0.7
119.08592	1.1
121.10116	0.9
131.08537	1.0
133.10100	1.1
145.10104	0.8
159.11603	0.9
185.04251	2.2
234.44447	0.7
269.21719	0.7
317.20859	90.4
318.21356	1.9
461.28894	1.5
479.26111	100.0
480.26593	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	479.262
Annotation	Pharboside G
Peak:m/z	Relative Intensity
59.89981	0.6
67.05503	0.8
70.06578	0.7
75.88749	0.6
79.05470	0.9
80.94868	0.8
81.07042	1.9
86.09704	1.1
91.05457	0.7
95.08605	0.7
105.07040	0.7
108.65356	0.7
124.99960	0.7
168.39983	0.7
184.07372	3.9
185.04262	1.4
317.20880	87.5
318.21219	3.0
336.24866	0.7
358.42282	0.9
479.26129	100.0
480.26263	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.7
57.03437	3.6
57.07076	4.0
58.00340	0.6
62.06091	24.4
67.05505	8.3
69.07072	20.7
69.07424	1.0
69.21885	4.0
71.08589	2.9
79.05508	3.9
81.07063	10.3
83.08620	13.0
85.10152	1.0
89.76197	0.7
93.07045	5.8
95.04947	0.7
95.08613	9.2
97.06498	1.4
97.10184	6.3
98.06017	0.8
98.22624	1.3
98.98476	6.2
107.08581	3.3
109.10144	4.2
111.11663	2.2
121.10155	4.6
122.55721	0.7
123.11677	1.7
124.01553	1.9
124.93774	15.1
135.11694	4.6
142.02615	1.6
142.94806	7.9
149.13229	1.7
151.07481	0.9
153.12727	0.8
155.01056	7.4
173.02054	0.7
179.12994	0.7
183.55302	0.7
198.05215	1.9
198.97502	0.8
216.06378	4.8
265.25244	4.2
308.29462	16.3
308.97101	0.7
309.29602	0.7
339.28937	100.0
340.29257	4.3
419.25458	4.6
462.20728	2.6
462.29642	4.4
463.51505	0.7
470.90652	0.7
480.21829	23.6
480.30734	2.6
481.22360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3093
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05266	0.7
55.05515	10.3
57.03197	0.6
57.03446	6.8
57.06859	0.6
57.07081	6.7
67.05511	10.5
67.12917	0.5
69.06715	1.2
69.07073	19.1
69.20530	0.9
69.20935	3.1
70.29820	0.5
71.08642	3.9
75.81912	0.5
79.05504	3.4
79.05900	0.6
81.07064	12.2
83.08625	11.9
85.06567	1.1
85.10181	1.6
86.09702	0.9
87.10089	0.6
93.07054	6.5
95.08614	9.9
97.06547	2.3
97.10181	7.1
105.05988	0.7
107.08598	3.6
109.10162	4.4
111.08081	1.0
111.11697	2.0
115.07650	0.5
115.78816	0.6
121.10160	6.1
123.11700	1.2
124.93797	3.4
135.11716	4.3
142.94826	1.7
149.13269	1.9
151.14804	0.9
163.14815	0.8
265.25287	1.0
290.31161	0.6
299.34204	0.7
308.29562	3.0
337.82544	0.7
339.28949	100.0
340.29263	3.9
462.19830	0.7
480.22052	4.8
480.33920	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	480.3087
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03952	1.0
55.05510	12.2
57.03432	3.7
57.07078	5.7
59.23742	0.7
62.06087	25.0
64.49857	0.7
67.05497	8.3
69.06716	1.0
69.07069	19.0
69.21707	4.5
71.08626	2.9
73.04262	0.7
79.05487	4.6
81.06621	1.2
81.07050	10.9
83.08618	12.1
85.10160	1.2
87.89138	0.7
93.07043	5.3
94.40491	0.7
95.08614	10.8
97.06537	1.4
97.10171	4.7
98.22652	1.2
98.98470	8.1
107.08611	4.0
109.10138	3.7
111.08069	1.2
111.11707	1.9
121.10136	4.9
123.11709	1.8
124.01593	0.9
124.93770	13.8
129.25955	0.6
135.11699	4.3
142.02626	1.5
142.94804	5.5
148.25546	0.7
149.13271	1.5
155.01027	6.2
173.02055	1.2
198.05223	1.5
198.97514	0.8
216.06325	3.6
247.24248	1.1
265.25192	4.9
301.38168	0.8
308.29480	15.1
309.29590	0.9
339.28925	100.0
340.25137	0.7
340.29126	3.6
404.41104	0.9
419.25473	3.8
435.24402	0.8
450.90759	0.8
462.20511	1.6
462.29770	3.8
480.21686	16.5
480.30618	3.0
481.21902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
55.79275	0.7
56.05034	1.5
57.03442	1.7
57.07059	0.8
58.06611	1.4
60.08162	16.0
62.81276	0.6
63.30210	0.6
67.05524	4.8
67.15171	0.7
68.06897	0.7
69.07063	2.2
70.06587	1.9
71.07366	6.5
79.05478	2.7
81.07044	5.2
83.08617	1.3
86.09704	48.7
87.45338	0.7
91.05480	1.7
93.07055	3.5
95.08611	3.0
96.37784	0.7
97.06522	1.9
98.98463	2.9
104.10738	100.0
105.07030	1.4
105.11063	1.0
107.08630	1.6
119.08565	1.0
121.10153	1.6
124.99997	27.7
135.04448	0.9
146.98166	12.3
157.61542	0.8
163.03886	8.0
164.91971	0.7
168.52866	0.8
171.11748	0.8
184.07338	94.0
185.07687	1.3
207.06500	8.8
297.24435	1.0
300.28845	2.6
319.22382	1.4
335.25717	2.7
337.17505	0.9
357.23828	0.9
367.85281	0.7
462.29556	8.7
469.04523	0.7
480.30872	35.2
481.22339	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	481.1679
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
50.61566	0.4
50.61863	0.4
59.79428	0.4
66.92515	0.4
74.40680	0.5
82.92126	0.4
107.04971	1.0
114.09149	0.6
114.18947	0.5
121.54861	0.4
127.03659	0.6
173.04219	0.6
185.04457	0.5
186.06567	1.1
186.59702	0.5
215.05219	1.1
221.39243	0.5
229.06998	0.5
230.23639	0.6
257.62143	0.5
291.08261	0.6
317.08340	3.2
338.96729	0.6
349.12589	0.6
350.27017	0.5
481.16791	100.0
482.17191	4.3
497.12866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76504	2.3
56.05029	3.3
67.66858	1.8
69.64259	8.6
71.21867	1.9
76.51351	2.0
98.23338	4.5
111.05579	4.7
113.07133	5.5
116.45421	2.5
132.04440	9.5
151.06125	3.5
165.06627	2.2
187.08672	4.4
202.09760	2.5
210.59106	2.0
230.09166	3.0
231.07663	17.1
233.14020	5.8
259.11871	21.4
267.69470	2.0
277.12930	76.4
284.11429	6.3
302.12476	41.2
302.15701	3.5
319.15115	100.0
320.15424	2.8
338.96741	5.7
481.13544	3.5
481.20444	64.5
482.20221	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05502	0.5
56.20555	0.3
57.03430	0.4
59.90759	0.2
60.04512	0.9
63.87032	0.3
67.05494	0.6
69.03415	0.5
69.07053	0.6
70.02959	0.6
70.06586	1.0
72.08136	0.7
73.02928	1.8
73.84444	0.3
79.05476	0.9
81.03410	0.5
81.07042	1.1
84.08133	0.6
85.02917	1.1
85.04040	0.4
86.09707	22.5
87.05591	0.3
87.10055	0.4
88.03980	3.2
91.05482	0.7
93.07037	2.3
95.04993	0.4
95.08605	0.7
96.08148	0.7
97.02897	0.5
97.06508	0.4
98.02418	1.2
98.09637	0.4
100.03974	1.3
103.03963	0.7
103.05456	3.1
105.04482	0.4
105.07060	0.6
106.05026	0.5
107.04966	0.8
107.08603	0.5
110.02388	0.3
110.07133	0.6
110.09673	0.3
113.10773	0.9
113.89786	0.3
115.04995	0.3
116.03438	0.4
119.04906	0.3
119.08569	0.4
120.08105	100.0
121.02870	1.6
121.08466	1.7
121.10172	0.3
122.05996	0.3
127.03916	1.0
128.17831	0.2
129.10265	0.3
130.06577	0.5
135.11697	0.9
138.09154	1.9
139.11168	0.5
141.10228	3.8
142.08617	0.4
145.02841	0.4
145.04982	0.4
147.04442	0.7
153.12637	0.3
154.86990	0.3
155.11748	0.4
156.10178	3.6
157.06117	0.3
157.12247	1.4
163.06058	0.4
166.08591	0.4
172.98253	0.3
173.09698	0.4
173.12906	0.5
175.03816	0.4
175.13300	1.1
177.05397	0.4
183.11313	2.4
184.09697	1.1
201.12340	25.3
203.03384	3.6
217.04938	0.4
221.04434	0.5
229.11836	16.6
230.12262	0.4
235.10805	4.3
243.14847	0.3
253.11842	18.9
254.12173	0.4
279.06549	0.6
279.16956	0.4
281.11295	0.6
283.15491	0.6
287.10245	0.4
293.08099	1.0
301.11517	0.3
303.17084	0.6
305.11398	0.3
307.05930	1.1
308.06894	1.1
309.07614	0.8
313.86496	0.3
319.12811	0.3
321.07574	7.1
322.08249	1.2
323.08990	0.4
330.18085	0.6
331.16562	1.7
333.07660	1.2
335.09079	0.9
347.09125	0.3
349.07004	4.6
350.07751	0.9
351.08524	1.6
360.06381	0.3
361.06903	0.7
361.10837	0.6
363.08600	0.6
375.08554	0.5
376.18671	2.4
377.06525	1.5
378.07547	0.4
379.08054	2.4
389.10190	0.5
391.08182	0.8
403.08209	0.4
409.09357	0.5
417.09808	0.5
435.10730	0.5
445.09174	0.7
463.10208	3.6
463.21820	0.6
468.54312	0.3
481.11340	8.9
481.26794	0.5
482.11603	0.7
482.22232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	5.7
67.05512	0.5
69.07056	0.3
69.51134	0.7
70.02955	0.4
72.04527	0.4
72.08163	0.2
79.05499	0.5
81.07059	0.6
84.08125	0.3
84.91585	0.2
85.02915	0.2
86.09702	23.6
87.05589	5.0
88.03982	0.6
91.05466	0.6
93.07042	1.5
95.04942	0.3
98.23463	0.5
103.05466	3.8
107.04942	0.5
107.08569	0.3
120.08100	100.0
121.02869	0.4
121.08443	1.3
121.10145	0.3
128.10718	2.8
132.30708	0.2
134.04466	0.9
135.11668	0.3
141.04253	0.2
145.10152	0.4
149.45229	0.2
156.10228	0.4
163.11174	0.4
173.12849	27.0
201.12326	13.3
202.12634	0.4
203.03351	0.5
229.11777	0.6
233.16476	0.4
253.11784	0.8
261.15909	0.3
263.10281	0.4
265.14215	0.2
281.11307	31.4
282.11566	0.6
283.15378	1.2
301.16324	0.8
303.16983	1.6
308.06482	0.2
321.07648	1.1
322.08096	0.5
327.82141	0.3
333.07422	0.3
345.07657	0.2
348.19009	2.1
349.07034	1.1
351.08765	0.3
379.07843	0.5
463.10019	0.9
481.11240	1.7
481.26950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22556	2.7
69.22958	1.4
78.62215	0.6
89.06049	4.4
89.08643	0.6
108.54095	0.6
114.11464	0.7
115.25119	0.8
124.93775	65.3
133.08620	2.6
142.94815	33.0
154.27713	0.6
198.97443	4.8
283.17538	2.6
379.28076	0.9
385.50488	0.7
463.21936	15.9
481.23019	100.0
482.23480	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	481.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
58.06571	0.3
60.04543	0.3
69.03416	0.3
70.06597	1.8
72.08153	1.4
77.39909	0.2
81.03399	0.7
83.05000	0.3
83.06065	0.3
84.04526	0.6
84.08114	0.6
85.02917	0.8
86.09707	1.5
93.52305	0.2
95.04967	0.3
107.04993	0.5
110.07153	1.3
119.04947	0.6
120.08122	1.1
121.02879	1.1
125.06010	0.4
128.03394	0.3
128.10735	0.4
129.10201	0.5
136.07602	0.5
137.06009	0.4
139.11238	0.3
143.07112	0.4
145.02832	0.8
147.04491	0.3
151.03932	1.0
177.05475	1.0
203.03433	1.3
221.04431	0.3
254.82439	0.3
259.53757	0.3
284.12054	0.3
295.06055	1.3
307.06155	0.5
308.06564	0.3
321.07507	3.2
333.07590	1.0
335.09164	0.3
349.07080	3.0
350.07529	0.4
351.08548	0.8
361.07022	0.4
363.08878	0.4
375.08780	0.7
378.66348	0.4
379.08072	1.2
389.10110	0.4
397.09262	1.7
403.08124	0.7
417.09305	0.3
445.09454	0.4
463.09921	1.5
481.11386	5.9
481.26208	100.0
482.26849	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	481.2777
Annotation	Glucosilsteviol
Peak:m/z	Relative Intensity
56.17095	0.6
70.06573	0.6
70.18071	1.8
73.80314	0.5
85.01945	0.6
90.52103	0.6
93.07029	0.6
99.80731	0.6
183.85727	0.6
185.04199	6.3
186.99432	0.7
257.15942	0.6
268.89755	0.7
301.21408	12.3
319.22449	54.6
320.22885	1.2
400.12033	0.7
481.27740	100.0
482.27905	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47691	0.6
52.92575	0.6
53.21178	0.6
55.01866	1.0
55.05518	3.9
56.63146	0.6
57.03437	4.5
61.02913	2.8
67.05502	13.3
68.40275	0.6
68.84988	0.6
69.03423	1.3
69.07068	8.2
69.29330	2.2
70.06586	1.0
71.04988	1.7
73.02892	0.8
78.22585	0.5
79.05476	6.6
81.07059	43.9
83.04990	3.9
83.08622	4.7
85.02891	3.5
85.06537	2.5
86.14857	0.6
87.42773	0.7
89.98604	0.6
91.03954	1.3
91.05477	12.6
93.07047	7.1
95.05003	1.0
95.08610	8.5
97.02890	1.4
97.06544	4.5
98.23430	1.4
99.08092	1.8
101.05984	0.9
105.07034	19.3
107.04971	0.8
107.08584	6.1
109.06509	2.7
109.10158	1.1
113.05997	0.7
119.08582	16.9
121.10149	11.8
123.08028	3.6
123.11706	18.1
127.03897	1.8
127.07547	2.2
128.32127	0.7
129.06989	1.3
133.10149	2.4
134.55247	0.7
137.13213	1.5
141.09119	1.4
145.05019	0.7
147.11688	52.2
157.10112	1.6
165.12761	23.7
169.05284	0.7
175.11198	2.2
183.13803	2.7
184.07277	0.8
193.12207	1.8
211.13237	1.0
219.19154	0.6
229.14337	6.9
267.15915	46.3
285.16971	100.0
286.17380	1.2
447.22281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.86288	0.6
55.01861	2.8
55.05511	2.0
57.03434	5.7
61.02930	7.3
65.03933	0.6
67.05505	10.9
69.03425	15.8
69.07058	1.4
69.56599	0.5
69.58770	2.6
70.06565	0.8
70.30646	0.5
71.04629	1.1
71.04992	13.7
72.08120	0.7
73.02924	3.6
79.05472	3.3
81.03420	6.8
81.07056	23.4
83.01321	0.8
83.04976	1.0
83.08617	1.0
85.02901	100.0
85.06528	1.1
86.03218	0.8
86.39074	0.5
87.04475	2.3
89.75015	0.5
91.03966	4.4
91.05473	2.1
93.07043	2.7
95.04909	0.6
95.08612	2.6
97.02893	26.1
97.06530	1.0
97.10158	1.1
99.04449	3.9
99.08082	1.2
101.02419	0.7
103.03930	1.4
105.07025	2.2
107.04959	0.7
107.08581	1.6
109.02872	9.0
109.06516	1.0
109.10190	0.9
115.03933	2.1
117.07014	0.7
119.08593	1.9
121.10145	1.4
123.04440	0.7
123.08102	0.9
123.11699	10.9
127.03912	24.8
127.04864	1.3
129.05479	0.7
133.10138	1.0
135.11708	1.5
141.12732	3.9
145.04953	44.5
147.04396	0.7
147.11662	3.4
151.11189	1.6
153.12727	1.4
161.13216	0.7
163.06010	18.3
163.07303	1.2
163.11217	1.1
165.12772	2.2
169.12344	0.9
170.68622	0.6
171.11655	0.7
175.11220	0.9
177.22845	0.6
181.12273	0.7
204.16664	0.6
207.13867	0.9
219.13837	1.3
229.14346	0.7
231.13771	0.8
237.15001	0.8
249.14993	1.4
267.15881	2.8
285.17004	7.8
286.54382	0.6
303.18027	1.8
325.11136	1.3
365.72330	0.7
406.03641	0.6
482.20959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01873	1.1
55.05518	3.2
57.03438	3.8
59.04982	0.5
61.02923	1.6
67.05505	9.1
69.03426	0.6
69.07066	6.1
69.20649	1.0
69.21053	2.6
71.04986	1.5
79.05483	5.0
81.07058	34.1
82.07415	0.5
83.04974	3.0
83.08628	2.9
85.02887	2.2
85.06541	1.8
87.20002	0.6
88.05089	0.5
91.03944	0.7
91.05482	8.5
93.07044	5.0
95.04960	1.3
95.08605	6.8
96.08107	0.9
97.02875	1.6
97.06535	2.9
99.04457	0.8
99.08082	2.4
101.06025	1.1
105.07036	14.7
107.04935	0.8
107.08584	4.5
109.02854	0.7
109.06514	2.1
109.10138	1.7
113.06013	1.0
119.08586	11.0
121.10140	9.8
123.08060	2.1
123.11709	15.5
125.09594	0.5
127.03924	1.4
127.07552	1.4
129.06987	0.9
133.10127	1.8
136.31859	0.5
137.13268	1.0
141.09068	0.6
147.11690	38.9
149.09604	0.6
157.10100	1.5
165.12759	16.1
166.13115	0.5
171.08064	0.6
175.11249	1.5
183.13817	1.7
193.12224	1.4
204.10374	0.6
211.11163	2.1
211.13376	0.5
229.14357	4.9
239.10663	1.0
267.15912	27.1
285.16968	100.0
286.17261	2.2
311.05124	0.6
429.21027	0.6
447.22479	3.6
456.06259	0.5
482.23792	2.0
487.91992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01865	4.4
55.05507	9.7
57.03424	2.6
58.41213	1.8
61.02930	2.1
67.05505	13.7
69.03423	8.4
69.07068	22.9
69.30557	11.6
70.06583	2.4
70.12180	2.0
71.04998	8.9
73.06551	2.3
79.05491	17.6
81.03451	2.7
81.07056	33.6
83.04970	15.2
83.08620	7.6
85.02899	12.5
85.06542	10.4
86.09715	3.3
87.04469	2.7
91.03911	2.0
91.05469	14.6
93.07040	60.3
95.04961	18.3
95.08605	54.7
97.02914	5.0
97.06529	34.3
98.56031	2.3
99.04454	20.5
103.03933	4.2
104.32803	2.5
105.07021	33.2
107.04955	5.5
107.08580	28.9
109.06513	23.0
109.10183	9.3
111.08077	17.7
113.06004	5.1
114.63679	2.1
115.03916	2.6
117.07023	3.1
119.08595	16.7
121.06506	48.2
121.07333	4.0
121.10150	3.6
123.04418	7.0
123.08054	4.0
123.11707	8.4
125.05980	21.7
125.09674	2.4
127.03927	4.8
127.07571	14.2
127.11222	3.1
131.08560	6.2
133.06511	4.6
133.10110	24.6
135.04367	2.8
135.08005	10.1
135.11693	3.2
135.90404	2.3
139.07527	30.5
141.05443	4.6
141.12749	2.8
143.07031	14.4
143.08560	7.5
145.02829	2.9
145.04971	5.1
145.10127	7.7
147.04448	4.4
147.08046	6.6
147.11674	64.7
149.09587	3.0
149.13266	8.2
151.11171	5.6
153.09079	5.3
155.06995	6.7
155.08316	2.1
157.08607	27.9
157.10126	14.7
159.06520	12.2
161.06001	4.4
161.09637	3.9
161.13268	14.2
163.06024	3.1
163.14896	3.4
165.12735	22.1
169.12239	7.9
171.08078	3.0
171.10292	4.3
171.11691	16.5
171.13858	3.1
173.08113	7.5
173.09576	3.7
175.11168	58.5
175.12616	3.3
177.05450	3.2
179.14122	2.2
181.10078	3.1
189.12732	43.1
189.14481	2.1
191.14349	2.6
193.12225	44.8
199.11192	22.2
207.13805	17.5
209.15341	3.8
210.09294	2.0
211.13235	16.4
217.12222	80.5
218.12572	2.2
221.15346	6.4
225.14847	18.6
229.14444	3.6
231.13701	2.9
235.13280	80.7
239.16434	2.4
241.18060	2.7
243.15845	13.0
249.14799	26.1
253.14328	100.0
254.14749	2.2
267.15887	73.5
271.15475	9.3
285.11520	3.7
285.16934	63.5
302.24643	2.3
303.17975	40.0
389.35919	2.0
457.50085	2.0
482.26080	12.3
483.22208	2.4
494.69064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
55.62542	0.3
56.05033	0.7
57.03431	0.8
57.07077	3.5
58.06578	1.5
59.07362	0.4
60.08165	16.6
63.36325	0.3
67.05499	0.9
69.07067	1.0
70.00538	1.0
71.07010	0.5
71.07379	6.5
71.08645	1.5
71.96994	0.3
79.05491	0.4
81.07047	0.9
85.10177	1.0
86.09710	47.5
87.10035	0.4
95.08597	1.3
98.23341	0.4
98.98470	3.8
104.10744	100.0
105.11065	0.6
105.88293	0.3
109.10111	0.5
119.42576	0.3
125.00005	27.0
146.98181	1.1
163.01530	0.5
167.54768	0.3
184.07344	92.8
185.07683	0.6
196.26514	0.3
258.10992	0.7
267.48578	0.3
299.25778	2.4
337.27359	0.4
464.31433	8.9
465.31717	0.5
482.32431	35.2
483.25714	0.5
483.32657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
55.44381	1.0
57.03419	1.3
57.06810	0.9
57.07072	5.1
64.10005	1.0
67.05499	1.7
70.06592	2.8
71.08638	2.7
72.08156	100.0
75.45511	0.9
81.07095	1.4
83.08603	1.3
90.09203	4.0
95.08602	2.5
97.10162	1.4
98.23463	3.7
125.74608	0.9
159.14149	0.9
170.05756	6.3
197.96246	1.0
198.39925	0.9
239.04131	1.1
244.09549	1.2
271.71274	1.1
283.17642	1.8
313.27289	24.0
341.29706	2.6
453.62622	1.1
464.30981	2.7
482.22144	2.3
482.32404	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.07074	62.7
58.58301	1.1
65.34974	0.9
65.67779	1.0
69.07055	6.0
69.21998	3.8
69.22403	2.1
71.08632	56.8
72.08968	1.4
73.06554	3.7
76.89657	1.0
83.08620	2.3
85.10180	36.2
87.04494	2.5
89.06029	100.0
92.66451	1.0
97.10182	3.4
99.11743	7.6
111.11723	4.1
113.13271	6.2
117.09160	1.6
125.13294	2.4
126.03954	1.1
127.14826	4.2
130.08600	2.3
131.07031	1.2
133.08601	67.0
134.08955	1.4
146.34776	1.1
177.11223	31.0
177.12755	1.8
183.21066	2.1
195.12267	3.7
206.84575	1.0
221.13899	4.2
227.23730	1.6
230.99734	1.1
239.14816	4.3
265.16537	1.3
271.26340	7.7
283.17508	44.7
315.28964	6.4
377.32376	1.4
421.35385	2.5
465.37854	53.8
466.38147	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	483.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11630	1.2
68.13187	1.3
70.06580	2.6
82.99864	2.0
95.36660	1.2
99.49474	1.5
101.00877	9.4
103.54604	1.1
103.97321	1.5
113.00860	2.5
119.01923	17.5
127.02421	2.6
131.01923	12.3
143.01900	19.8
145.03462	9.9
146.05998	2.7
147.01398	1.2
149.02953	1.4
155.01894	23.4
157.03488	4.9
159.01418	2.2
161.02963	19.8
163.04503	1.5
167.01848	9.2
169.03514	2.8
173.02951	35.6
175.04579	1.5
175.11932	1.8
177.02415	3.7
179.01930	3.2
183.01424	2.1
185.02950	41.4
186.03133	2.3
187.04512	5.2
195.03479	1.5
197.02948	14.6
198.13242	1.3
201.02423	51.6
201.04308	2.8
203.04013	10.9
204.88950	3.5
209.03018	2.6
213.02440	9.5
215.04013	9.1
219.03496	88.5
220.03661	1.4
221.05103	2.6
225.02507	2.0
227.03998	10.9
231.03459	10.6
237.02466	2.7
237.04611	2.7
242.05106	2.0
243.03535	2.1
245.05058	100.0
246.05278	3.5
249.04607	6.2
255.03477	5.1
257.05112	5.2
261.04623	14.5
263.06119	12.0
272.60376	1.3
273.04602	2.1
275.06070	11.0
279.05634	5.7
285.04593	2.2
293.07178	3.4
303.05603	29.0
305.07111	12.3
308.89935	2.9
321.06693	44.5
335.08383	6.4
339.07883	2.7
360.72018	1.3
363.08978	1.5
365.09317	10.7
483.11719	35.1
484.12372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1267
Annotation	Hicksoane A
Peak:m/z	Relative Intensity
63.85637	1.9
68.73885	1.8
70.03271	4.3
70.03602	2.3
70.06577	2.9
70.12850	1.7
81.64874	2.0
121.79432	2.0
124.58990	2.0
133.06456	2.9
158.19803	1.8
483.12631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	9.9
73.32500	4.9
110.07134	6.6
140.56920	4.9
146.05997	15.4
146.70726	5.0
378.30505	6.1
483.12692	100.0
494.47058	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	483.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20380	0.9
66.98806	0.8
68.60450	0.9
69.88113	1.8
70.06619	1.0
103.05455	8.5
108.56667	0.9
110.07170	1.8
131.04926	14.5
145.34651	0.8
146.06013	1.1
149.05968	5.8
203.10294	1.0
244.21315	0.9
275.07358	1.5
333.07922	7.7
335.09448	19.0
387.99008	1.2
483.14706	100.0
484.14932	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39857	0.5
74.00303	0.3
84.84157	0.3
89.48392	0.2
98.87282	0.3
103.05466	7.9
119.88088	0.3
131.04921	11.7
149.05969	5.3
154.58850	0.3
155.01857	0.4
158.89934	0.3
182.76198	0.3
188.91209	0.3
203.05304	1.0
207.05112	0.4
274.04425	0.3
275.07288	1.2
333.07925	6.0
335.09470	18.5
336.09933	0.6
340.84698	0.3
363.09348	0.4
423.12857	0.3
483.14703	100.0
484.14957	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30035	0.3
58.67551	0.4
60.04516	1.8
67.08588	0.4
69.03423	0.5
71.44903	0.4
74.02440	1.9
79.48512	0.4
85.02885	0.7
88.03983	1.7
102.04901	0.8
102.05540	11.8
107.08571	0.5
116.03443	2.0
118.06560	3.2
133.06496	0.9
135.57350	0.4
146.06004	100.0
147.06346	1.7
148.06038	20.9
153.12717	0.8
170.06010	0.5
174.05547	1.1
189.64986	0.4
198.05519	1.5
200.07144	0.3
215.08171	1.9
243.07582	0.8
261.08844	0.5
275.10165	2.7
289.08191	4.5
303.09671	1.1
321.10803	19.9
322.11026	0.6
382.38232	0.5
459.24237	0.4
483.13657	6.0
484.13632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
67.05506	5.5
69.03424	2.0
69.07059	2.9
70.06560	1.1
70.63461	1.6
71.04986	1.8
72.08160	2.4
79.02346	1.2
79.05505	1.5
81.07044	9.0
83.04987	1.8
84.08125	2.1
85.02914	2.4
86.09689	1.4
91.05487	4.4
93.07045	3.0
95.08623	3.7
97.06532	2.2
99.04434	1.8
99.08122	1.8
105.07029	4.6
107.08601	2.6
109.06499	1.3
119.08578	3.5
120.08147	2.3
121.10175	1.7
123.11655	1.7
126.67120	1.2
126.96732	1.3
127.03912	3.5
133.10155	1.3
141.12738	10.4
142.13092	4.6
144.08026	1.5
145.04927	1.6
145.10127	2.0
146.06044	1.2
147.04468	1.2
147.11710	4.7
148.12032	1.9
157.10078	1.4
159.09154	1.9
165.12813	1.4
257.68054	1.2
262.21640	1.4
267.15851	2.4
268.16266	1.9
280.22794	4.8
285.16858	6.6
286.17441	5.9
298.23822	2.9
321.10950	44.3
321.24268	1.9
466.30609	2.7
483.16260	100.0
483.24579	4.1
484.16592	3.7
484.31616	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	483.1632
Annotation	Antibiotic 1072A
Peak:m/z	Relative Intensity
51.60476	0.7
55.05514	0.8
57.03444	1.0
62.76257	0.8
66.14806	0.6
67.05505	2.5
68.30034	0.7
69.03449	0.9
69.07074	1.7
70.01241	0.9
70.01569	1.4
70.06605	1.3
70.45614	0.7
71.05009	1.1
72.08163	0.9
79.05476	0.8
81.07045	5.9
82.07404	0.7
85.02931	1.2
86.09721	0.9
91.05475	2.2
93.07051	1.6
95.08598	1.9
97.02882	0.9
98.22735	0.9
99.08100	0.7
105.07017	2.4
107.08569	1.2
109.06534	0.9
119.08586	2.0
120.08115	2.5
120.08882	0.8
121.10155	1.3
122.10500	0.9
123.11697	1.8
133.10202	0.8
147.11688	4.2
147.82738	0.8
148.12030	2.7
155.08614	1.6
165.12816	2.0
166.13087	1.0
184.39941	0.9
222.90372	0.6
267.15961	3.0
268.16245	3.8
285.16995	7.3
286.17334	7.8
321.10919	51.7
322.11227	0.9
367.73059	0.8
483.16269	100.0
483.22284	8.3
484.16663	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	483.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60476	0.7
55.05514	0.8
57.03444	1.0
62.76257	0.8
66.14806	0.6
67.05505	2.5
68.30034	0.7
69.03449	0.9
69.07074	1.7
70.01241	0.9
70.01569	1.4
70.06605	1.3
70.45614	0.7
71.05009	1.1
72.08163	0.9
79.05476	0.8
81.07045	5.9
82.07404	0.7
85.02931	1.2
86.09721	0.9
91.05475	2.2
93.07051	1.6
95.08598	1.9
97.02882	0.9
98.22735	0.9
99.08100	0.7
105.07017	2.4
107.08569	1.2
109.06534	0.9
119.08586	2.0
120.08115	2.5
120.08882	0.8
121.10155	1.3
122.10500	0.9
123.11697	1.8
133.10202	0.8
147.11688	4.2
147.82738	0.8
148.12030	2.7
155.08614	1.6
165.12816	2.0
166.13087	1.0
184.39941	0.9
222.90372	0.6
267.15961	3.0
268.16245	3.8
285.16995	7.3
286.17334	7.8
321.10919	51.7
322.11227	0.9
367.73059	0.8
483.16269	100.0
483.22284	8.3
484.16663	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	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38282	0.4
55.05476	0.4
56.49257	0.5
57.03424	0.5
69.03410	0.9
70.06594	3.6
72.08153	2.7
75.69402	0.4
81.03396	0.6
82.06574	1.0
84.04510	0.5
84.08149	2.6
85.02893	2.8
85.66810	0.4
86.09716	3.0
88.04037	0.5
97.02868	1.1
107.04964	0.6
110.07165	2.1
110.09710	0.5
112.11232	1.6
113.07143	0.8
116.07124	0.4
119.04961	0.5
120.08087	1.8
127.03938	1.0
128.10703	0.8
129.10258	0.7
129.13786	0.6
136.07588	0.8
145.05005	0.7
146.06013	0.7
147.04434	0.7
155.08113	0.5
155.11783	1.4
156.07863	0.5
169.07617	0.5
169.08865	0.5
181.07578	1.0
182.08359	1.6
183.09158	0.6
184.07547	0.4
184.11211	0.5
193.07623	0.6
195.09137	2.0
196.09969	10.7
197.10634	0.5
206.08350	0.4
209.07141	0.6
210.07816	1.3
210.69313	0.4
211.08720	2.0
211.12367	2.8
212.10791	11.7
213.10359	1.2
223.08702	1.4
224.09444	9.5
225.10002	0.6
226.11006	0.7
229.06541	0.6
229.08603	4.2
229.13280	0.5
238.15495	0.5
239.11792	27.7
240.12323	0.7
241.13361	3.1
243.11263	0.5
247.00850	0.5
254.10693	0.7
257.12875	0.9
267.11298	85.9
268.11551	2.4
272.11523	0.7
285.12350	100.0
286.12808	2.9
303.13406	30.4
304.13574	0.7
321.13324	1.4
342.18069	0.9
379.98184	0.5
395.12677	0.5
412.66977	0.4
447.17618	0.6
460.18253	0.5
465.23257	0.5
466.23419	2.5
483.13824	0.6
483.23471	6.9
484.24667	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52235	0.3
55.05508	0.3
56.85527	0.2
67.05490	0.3
69.07087	0.3
69.26540	1.4
70.06622	0.3
72.08150	0.3
79.05504	0.4
81.07079	0.5
84.08186	0.2
85.02906	0.3
86.09689	0.3
91.05475	0.3
93.48876	0.3
95.08585	0.4
107.08603	0.6
109.10181	0.3
120.08125	0.4
127.03910	0.4
133.10162	0.3
147.04424	0.5
162.26501	0.3
177.05481	0.3
180.10258	0.2
203.05313	0.9
259.07962	0.8
315.72733	0.3
321.11108	1.1
321.16812	0.8
329.11673	0.3
409.73608	0.3
483.22009	100.0
484.22433	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92429	0.3
67.05508	0.3
70.06609	0.5
71.11311	0.3
81.07048	0.6
82.50700	0.3
91.05470	0.3
98.23464	0.9
105.07076	0.3
107.08590	0.3
109.06515	1.0
119.08548	0.4
131.08626	0.3
133.10118	0.3
134.18713	0.3
153.57594	0.3
158.33876	0.3
187.33357	0.3
217.78993	0.3
228.95067	0.3
259.08023	0.4
321.16791	1.6
465.28497	0.4
483.21997	100.0
484.22400	4.1
493.58594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94757	0.6
53.03945	1.0
55.01868	0.7
55.05512	21.8
57.03437	7.9
57.06816	0.9
57.07077	8.9
67.05511	3.4
69.07069	22.3
71.08630	5.7
79.05474	1.7
79.05901	0.6
79.07493	0.5
81.07045	4.5
83.08126	0.9
83.08623	17.6
85.10194	1.7
93.07028	3.0
95.08616	3.3
97.06530	1.4
97.10172	12.2
98.98471	8.2
101.65997	0.6
107.08585	1.9
109.10168	1.0
111.11740	3.2
121.10133	2.7
123.11742	0.8
135.11687	1.3
155.01041	4.9
173.02100	1.1
219.21109	0.9
237.22156	0.8
247.05833	0.8
282.20074	0.7
311.25793	100.0
312.26114	2.1
447.24887	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	484.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.1
60.00304	0.5
60.86345	0.5
64.06273	0.5
69.03436	0.5
70.06612	0.6
70.16096	0.9
70.16414	0.7
70.95886	0.5
72.07793	0.6
72.08157	9.4
75.09220	0.6
76.45786	0.6
84.08138	1.8
85.02918	0.5
88.82071	0.5
89.03915	4.6
96.38306	0.5
98.23330	0.7
107.04913	0.6
111.08100	0.7
112.11230	3.3
117.03371	16.9
129.13876	1.8
130.87743	0.6
131.69441	0.6
134.03548	0.6
135.04416	7.5
137.09625	1.1
137.19257	0.5
145.02840	50.9
146.04495	0.5
146.16534	1.4
147.04381	2.6
149.05957	4.3
155.10648	2.4
155.11819	2.4
163.03897	55.0
164.04242	0.9
172.14438	0.7
173.11729	0.8
177.05461	61.0
219.11156	0.7
220.09680	30.9
221.10020	0.6
234.11232	24.0
235.11603	0.7
248.12788	3.6
265.15417	0.5
291.17041	2.0
304.22903	0.6
305.18649	0.9
308.19629	4.8
320.18488	0.6
322.21167	7.1
331.70047	0.6
467.21817	1.0
475.88156	0.6
484.24387	100.0
485.24768	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	484.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73247	0.5
58.06601	1.5
63.02386	0.5
64.69250	0.5
67.05516	1.4
69.03421	0.5
70.06596	7.4
70.50904	0.9
71.04993	0.7
72.08157	15.6
75.09239	1.2
79.05499	0.8
81.07051	1.1
84.08151	2.7
85.02903	1.0
86.09726	3.0
89.03925	7.1
91.05476	0.7
91.76121	0.5
95.08624	1.1
97.02862	0.5
98.06071	0.7
100.55971	0.5
103.03970	0.5
105.07110	0.5
107.04985	1.0
109.10172	1.6
110.07214	0.5
110.09709	0.9
112.11251	3.9
115.07511	0.5
117.03381	19.6
119.04923	0.6
120.08093	0.6
123.04414	0.6
123.08105	1.0
125.00027	0.7
128.10686	0.6
129.13864	3.4
134.03633	1.0
135.04419	5.6
141.09126	0.7
145.02852	55.6
146.03160	0.9
146.16551	2.2
147.04424	4.6
149.05977	4.9
155.10683	0.9
155.11816	1.4
163.03906	53.0
164.04268	1.0
169.13402	0.6
173.11761	2.3
177.05473	62.6
178.05826	1.2
184.07323	3.2
197.12798	0.9
204.10268	1.9
211.14571	0.7
219.09073	0.5
219.11363	0.7
220.09694	32.8
234.11264	21.9
237.12395	0.8
248.12854	2.1
251.13893	0.7
253.51717	0.5
269.10242	1.5
291.16934	3.3
292.20093	1.2
301.38120	0.5
304.22778	1.3
305.18692	1.8
308.19687	9.6
322.21118	7.5
323.10864	0.8
353.51202	0.5
466.23242	1.0
467.22021	1.2
484.24405	100.0
485.24786	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	484.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83101	1.9
57.03420	4.5
59.05008	3.1
61.32260	1.8
62.02145	1.6
69.03423	20.1
69.07064	3.5
69.55338	4.6
69.55737	3.8
71.08627	46.5
76.97326	1.8
80.75072	1.6
81.07074	1.9
82.63450	1.9
85.02898	15.5
87.04467	12.7
90.31738	1.9
94.60114	1.7
97.02881	15.9
98.22623	2.6
99.08091	100.0
100.11250	2.7
112.15326	1.8
115.03925	18.1
127.03895	2.3
128.07053	2.1
129.12730	10.6
133.04979	19.4
141.67654	2.3
145.04881	2.9
155.14336	4.1
161.09850	1.9
173.15369	80.0
198.14865	2.8
210.14879	2.2
274.11328	2.1
483.81216	2.8
484.24207	2.6
484.30856	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	484.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.87530	0.2
55.01868	2.4
55.05511	1.5
56.05048	0.3
57.03437	4.7
57.07078	1.6
58.06609	0.3
59.04990	0.3
60.04503	0.2
61.02925	8.2
66.05479	0.2
67.05502	1.2
69.03429	17.1
69.07066	10.5
69.30476	1.3
70.06596	0.4
71.01353	0.4
71.04994	5.1
72.08152	0.3
73.02914	3.3
79.05503	0.8
81.03415	7.2
81.07060	1.5
83.01340	0.7
83.04987	1.0
83.08620	4.3
84.08132	1.3
85.02905	100.0
85.06530	0.4
86.03204	0.4
86.09702	0.2
87.04485	1.8
91.03962	5.9
91.05482	0.5
93.07051	1.1
95.04975	0.6
95.08618	1.1
97.02892	22.8
97.06548	0.8
98.09670	0.3
98.42702	0.3
99.04451	4.4
99.08094	0.3
99.80616	0.3
100.11277	0.3
101.02364	0.6
103.03959	1.0
104.59267	0.3
105.07030	0.6
107.08601	0.8
109.02879	7.9
109.06554	0.5
109.10187	0.4
109.68073	0.2
111.04449	0.3
112.11237	0.2
115.03905	1.5
117.05493	0.5
117.07027	0.3
119.08543	0.5
120.08087	0.4
121.06506	0.4
121.10161	0.5
123.11710	0.5
125.13290	1.1
127.03913	23.4
128.04292	0.3
129.05406	0.3
130.05006	0.8
132.08098	0.2
133.04985	0.3
133.10109	0.3
135.08040	0.3
135.11691	0.5
137.13246	0.4
139.07541	2.3
141.12706	0.3
143.14316	3.1
144.12814	0.3
145.04958	45.8
146.06013	0.5
147.11697	0.3
149.13330	0.3
151.07562	1.1
153.12740	1.5
155.14310	0.7
159.09190	0.5
161.13191	0.3
162.07661	0.3
163.06018	17.5
165.12697	0.4
167.14351	0.4
167.55966	0.2
169.08595	0.5
170.06033	0.3
171.13814	0.8
179.14273	0.4
180.08711	0.4
181.07146	0.3
181.15842	0.3
183.13799	1.4
188.07094	0.7
195.13727	0.3
197.15379	0.6
205.16022	0.3
209.15445	1.1
220.09561	0.3
221.15410	0.7
227.16463	0.4
233.15427	0.7
239.16368	0.8
251.16386	2.2
262.21637	0.6
269.17465	2.5
271.08197	0.3
280.22702	2.2
287.18552	2.5
289.09216	0.4
298.23712	1.6
305.19559	2.0
316.17505	0.2
325.11356	1.0
466.30725	1.2
484.25607	0.5
484.31769	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	484.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69068	0.4
68.04993	0.6
69.44535	1.4
79.05484	5.2
79.18919	0.4
81.05797	2.6
94.06561	2.7
96.08128	42.0
97.06538	0.7
100.11266	0.7
114.09165	100.0
115.09513	1.3
145.02844	0.8
163.04008	0.4
177.05496	1.2
188.07059	0.6
484.28128	38.6
485.28583	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	484.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30661	0.4
55.05505	0.5
55.18053	0.3
56.05033	0.9
58.06594	1.7
60.41541	0.4
60.69131	0.4
67.05511	2.2
69.34573	2.1
70.06594	5.5
71.05000	0.8
72.08154	1.1
79.05478	1.9
81.07058	3.2
82.06576	0.8
84.08141	5.8
85.08911	0.6
88.07623	3.5
91.05473	2.4
91.69622	0.4
93.07040	2.9
95.08602	2.4
96.08124	2.1
98.09687	2.7
105.07038	1.4
107.08604	1.3
109.10163	0.5
110.09669	5.2
111.10476	2.5
112.11251	2.8
113.19844	0.4
118.06535	0.8
119.08627	0.5
122.09653	0.7
124.11240	1.9
128.10718	1.6
130.06528	1.7
131.08577	0.8
132.08095	1.7
133.10138	0.6
133.62857	0.4
138.12732	0.6
144.08070	5.4
146.06007	6.4
147.11708	1.0
147.74504	0.4
152.14388	0.5
158.79614	0.6
159.09198	6.8
170.06006	0.9
179.90852	0.4
180.17537	0.4
188.07053	9.2
205.09787	1.0
206.18954	0.4
220.20625	1.1
234.22246	1.1
238.21750	0.5
261.23306	0.6
262.21613	5.1
272.99591	0.4
279.24329	3.4
279.26743	0.4
280.22690	29.0
281.23196	0.4
297.25317	1.2
298.23749	20.3
299.24139	0.7
331.92825	0.4
385.40164	0.4
420.30081	0.7
422.31680	1.5
466.30652	11.4
467.30905	0.5
484.31680	100.0
485.31897	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24191	0.4
55.05503	0.9
56.05033	1.4
58.06598	3.4
67.05502	2.3
70.06581	1.0
71.07372	1.0
72.08147	1.1
79.05476	2.7
81.07062	3.2
84.08139	11.6
88.07629	0.5
91.05463	1.9
93.07038	2.8
95.08602	1.5
96.08103	1.2
98.09718	0.7
98.22626	0.8
105.07021	1.2
107.08595	1.7
110.09682	2.9
111.10455	1.4
112.11241	1.8
117.07047	0.7
118.06539	1.0
119.08606	1.0
122.09666	0.5
124.11221	0.8
128.10727	2.1
130.06560	1.3
130.56253	0.4
131.08577	1.2
132.08092	2.5
136.53819	0.4
138.12776	0.5
143.67661	0.4
144.08086	4.5
145.10162	0.5
145.37987	0.4
146.06001	4.2
146.07057	0.6
152.14297	0.5
159.09175	6.5
170.06009	1.2
188.07063	9.1
205.09665	0.6
220.20570	0.9
238.03603	0.4
261.23285	0.9
262.21649	5.9
263.21976	0.5
279.24326	3.5
280.22699	29.1
281.23221	0.5
297.25385	1.4
298.23764	21.2
420.30179	1.1
422.31653	1.5
466.25208	0.4
466.30643	13.3
484.31689	100.0
485.31918	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	485.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48263	0.3
65.03923	0.7
69.03423	1.2
69.12894	2.3
70.06568	0.4
72.08157	0.4
89.03901	0.5
90.01343	0.4
91.05479	8.4
96.08131	0.4
97.02859	0.3
100.11250	0.6
114.09141	0.9
117.03394	0.3
119.04938	19.6
127.03912	0.7
127.19122	0.3
142.65459	0.3
145.02885	1.5
146.03180	0.8
147.04402	100.0
148.04736	1.8
155.93906	0.3
160.07568	2.9
163.03848	1.6
164.04185	0.5
165.05534	0.5
177.05469	1.4
178.05789	1.1
210.14839	0.4
220.09634	0.4
221.09937	0.5
224.12947	0.4
234.11244	0.6
241.15375	0.4
291.08551	1.0
309.09683	1.5
323.13913	1.1
326.13275	0.3
485.18942	0.9
485.24701	3.5
485.33072	1.0
513.22565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01871	11.2
55.05511	15.7
58.99580	3.0
67.05513	13.6
69.07066	4.2
71.08624	3.0
74.00649	3.5
76.02187	1.1
79.05492	8.5
80.04996	4.7
81.03409	2.0
81.07059	12.6
82.06559	1.3
83.08623	8.7
84.04494	3.6
85.01122	6.1
85.04031	1.6
86.00652	1.4
87.02695	1.4
91.05482	26.7
91.65691	1.2
93.07046	7.5
94.06559	4.2
95.04965	12.0
95.08620	7.7
97.01125	3.8
97.10168	1.8
99.02676	1.4
99.05584	1.3
99.08103	2.4
105.07046	8.1
106.06570	2.6
107.04957	3.3
107.08586	5.3
108.08114	1.2
109.06524	2.6
109.10169	2.8
110.06043	2.4
111.02663	5.0
111.08086	3.6
112.02168	6.6
112.03970	3.2
113.00613	2.1
113.02919	1.3
114.03799	1.2
115.05464	1.4
116.01704	2.2
117.07006	2.7
119.04868	1.3
119.08576	6.6
120.08101	1.6
121.06479	2.2
121.10139	3.2
122.06032	1.6
123.02634	2.0
123.08089	2.0
124.02174	2.7
125.02967	1.2
125.04241	2.1
125.09618	1.9
126.02872	2.3
126.03736	19.7
127.04537	1.3
128.90671	1.2
129.01190	3.9
129.06985	1.3
130.04991	4.1
131.08568	6.4
132.04482	1.9
132.08116	1.8
133.10141	11.9
134.06000	1.5
135.08078	1.1
135.11696	2.1
136.02167	1.3
136.07507	1.2
136.11305	1.3
137.04213	1.8
138.00102	1.7
138.03687	9.4
139.02106	3.7
140.05243	2.8
143.08582	2.2
145.10127	3.2
146.05989	1.9
147.11713	1.7
149.02959	1.2
149.04092	1.2
149.09631	3.3
149.68457	1.3
150.03673	2.7
151.04512	1.6
152.01651	6.8
152.05255	4.8
153.07231	1.3
154.03235	2.8
159.11644	1.5
160.11266	1.4
161.09605	2.3
162.03664	1.9
162.12770	1.9
163.11176	5.2
164.01605	2.9
164.05283	1.4
165.07336	3.5
165.12770	1.4
166.03217	3.3
166.06877	2.7
167.08910	3.4
174.12740	3.3
175.01805	1.6
175.05885	1.3
176.05324	1.1
177.03287	1.6
178.03246	2.4
178.06870	1.7
180.13818	1.5
187.11298	1.2
188.14310	1.5
192.08444	4.1
192.13965	1.3
193.12280	4.2
194.10045	3.4
195.08334	2.6
201.07246	1.3
202.12309	3.1
204.13699	1.5
206.06415	1.3
206.10069	1.3
208.11568	7.9
208.13332	2.0
210.09456	1.5
218.09959	2.7
220.07899	6.9
220.11473	2.7
220.13445	2.1
222.09543	1.2
223.07803	1.5
223.13229	2.5
234.09441	6.7
236.11024	19.9
238.08940	5.6
238.12598	4.0
248.07387	8.6
250.09009	1.4
252.10519	3.2
254.12126	7.2
262.09079	4.6
264.10565	13.0
266.08505	7.3
266.10950	1.0
266.12253	1.3
275.20074	1.7
276.10626	1.2
280.10025	7.8
280.22803	2.1
282.11618	4.8
290.21088	3.4
292.10077	3.1
293.21152	5.3
308.22159	2.8
311.14261	5.4
318.18872	3.9
320.20428	4.5
321.12701	1.5
322.18320	1.8
323.13828	7.0
336.19785	7.0
338.21432	3.6
339.13849	4.0
340.19354	6.0
346.18365	11.4
348.19955	4.5
351.18292	2.1
356.16663	1.6
357.14828	4.9
364.19400	39.9
366.20969	18.8
367.13303	3.5
374.17841	7.2
375.16302	3.5
382.20416	2.9
392.18893	18.6
403.20557	2.5
405.23792	1.5
410.19983	32.9
417.23883	2.0
421.21582	10.5
439.22638	18.2
449.21097	9.6
455.25845	1.5
467.22137	100.0
468.22495	3.5
485.23282	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	485.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.03443	4.5
57.07077	21.4
59.22939	0.4
66.06396	0.4
67.05507	4.4
69.07072	3.2
69.35077	0.8
69.35463	1.1
71.08633	14.1
81.07052	6.1
83.08620	4.8
85.10184	9.7
87.04476	0.6
89.06011	1.2
95.08611	7.5
97.10166	2.7
98.23474	0.8
98.98464	19.7
109.10149	3.7
115.05305	0.4
116.65865	0.5
123.11728	1.5
133.10109	0.9
137.00015	0.5
137.13208	0.5
154.99789	0.9
155.01047	13.0
173.02031	2.2
229.04652	0.8
239.23709	1.5
247.05817	1.0
257.24915	0.6
276.79944	0.5
294.16183	0.5
313.27365	100.0
314.27707	2.8
393.24023	2.2
439.25037	0.6
449.26630	5.7
474.71844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
57.03439	6.0
57.07074	25.6
63.38989	0.6
67.05505	4.7
67.34084	0.5
69.07069	4.4
69.24987	2.7
71.08631	18.1
73.50075	0.5
81.06617	0.9
81.07056	7.2
83.08617	4.9
85.06525	0.6
85.10170	8.1
89.06020	1.6
95.08614	10.5
97.10167	2.7
98.98468	14.1
99.11714	1.0
103.07568	0.7
109.10144	4.9
111.11718	0.6
112.21768	0.5
123.11684	1.7
133.10068	0.7
155.01024	7.1
173.02087	1.5
175.46356	0.5
229.04724	1.1
239.23738	1.4
247.05800	0.7
257.24814	1.1
313.27350	100.0
314.27652	2.7
381.75894	0.6
393.23987	1.2
437.66934	0.7
449.26392	4.2
485.28705	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
57.03437	6.9
57.06819	2.0
57.07081	27.5
57.07364	1.8
67.05514	5.8
67.08435	0.9
69.07059	6.3
69.94485	3.6
71.08628	18.0
79.05505	1.4
81.07064	9.1
83.08641	4.9
85.10185	11.4
89.06047	1.8
91.05485	11.8
95.08616	9.1
97.10178	2.2
98.98453	3.8
104.06271	1.1
105.07056	2.2
109.10146	5.4
115.04834	1.2
123.11703	1.5
129.10078	1.0
133.10124	23.6
147.08086	1.2
155.01057	2.6
160.40285	0.9
180.58684	1.0
212.68990	1.0
239.23634	1.6
257.24857	1.4
272.60803	1.1
313.27371	100.0
314.27722	2.9
344.62152	1.0
485.26636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
56.01420	0.6
56.05043	3.4
60.04519	2.4
65.18545	0.6
67.99161	0.5
70.02957	24.2
70.06594	18.0
70.28831	1.2
71.06087	0.5
71.06888	0.7
72.04507	0.9
72.08163	3.6
74.00653	0.8
74.02432	4.4
76.04001	8.8
81.66701	0.7
82.06597	1.2
83.06112	3.8
84.04017	1.0
84.04510	17.9
84.08156	3.3
85.02879	0.8
86.09711	3.8
88.03978	2.5
95.81328	0.6
96.04511	0.8
98.22773	0.8
99.05589	6.3
99.27483	0.6
101.07159	0.6
102.05537	1.1
102.09210	1.2
103.05025	1.1
108.04460	0.8
109.07655	3.1
110.06026	1.4
110.07168	1.4
112.03960	1.8
116.03458	3.1
117.06639	1.2
120.08098	0.8
121.01126	3.5
124.03966	1.3
125.07113	1.8
126.05563	0.9
127.05063	2.1
129.06616	3.2
129.10240	2.0
130.05019	9.0
131.04904	1.9
131.20308	0.5
135.05565	0.8
136.03967	0.7
137.07088	1.9
139.36743	0.5
143.11734	0.6
145.06085	100.0
146.06372	1.0
147.07626	0.7
149.00571	9.0
153.06604	5.7
155.08136	3.3
156.06473	0.6
160.00606	3.4
163.02184	2.4
163.03841	0.6
165.00082	1.7
167.01559	1.1
167.08182	0.7
169.06105	0.9
169.13396	1.1
171.07675	0.8
175.11966	0.7
177.03249	0.6
179.01639	9.9
181.06099	2.4
187.10721	0.9
189.00099	1.0
191.01620	1.7
192.99550	1.3
193.03209	3.5
193.06064	0.7
194.02711	5.7
194.99393	1.1
195.01128	15.8
195.04700	0.7
199.07152	9.9
200.99980	1.0
207.01099	6.2
208.04247	2.3
209.02721	0.9
211.00594	0.6
211.07121	10.1
211.09019	1.0
219.01183	3.3
229.15555	1.2
230.11353	1.8
232.31401	0.6
236.03764	4.8
237.02150	2.1
242.12122	2.0
245.04688	1.0
254.04846	1.8
256.09360	0.8
257.07660	0.9
264.03271	37.1
265.03510	1.4
274.10284	3.7
286.17624	0.9
294.04343	0.6
296.06204	0.7
297.05411	0.7
313.08517	0.8
321.05627	0.7
322.03806	3.3
339.06473	3.1
357.07434	4.1
365.07980	1.0
393.07462	5.1
405.07471	1.2
411.08554	15.4
426.16718	1.0
468.10556	2.4
485.35941	0.8
486.11902	5.2
486.18851	0.9
486.25366	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	486.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06100	0.9
56.32767	0.8
57.49366	0.8
69.07059	3.7
69.32444	3.7
72.08149	6.2
72.52654	0.9
79.05487	4.4
81.07039	2.8
84.08130	1.0
86.09682	2.2
88.99467	1.0
91.05458	2.1
93.07034	1.5
95.08578	1.4
96.08121	2.6
97.06525	3.8
98.09684	16.7
99.08096	1.2
104.99284	0.9
105.07023	1.9
114.09153	1.5
118.06522	2.2
119.08614	1.1
124.11240	1.8
125.06020	0.9
126.22081	0.9
128.10687	1.9
130.06512	3.6
131.08553	1.6
132.08102	5.3
142.12260	11.5
143.07060	3.6
144.08093	2.7
145.10074	0.9
146.06000	9.5
159.09171	26.4
161.08095	1.0
170.06041	2.2
170.11685	1.3
173.13248	1.1
188.07027	16.0
205.09747	1.6
219.13669	1.0
231.07805	0.9
242.69788	1.0
251.56418	1.0
258.21442	0.8
264.19678	2.2
265.13461	1.5
281.22314	1.2
282.20642	3.4
283.14465	2.2
300.21671	7.6
301.15259	1.2
316.01443	0.8
373.42059	0.9
468.28436	2.9
486.29605	100.0
487.30075	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	486.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
62.60936	0.3
62.80378	0.3
68.05020	0.3
69.07050	0.6
70.06579	1.5
71.46239	0.4
72.08160	0.5
79.05473	0.9
81.07051	0.6
82.06576	1.5
84.08138	0.4
86.09687	0.3
93.07038	0.6
94.06509	0.4
95.07352	1.0
97.06542	3.2
106.75597	0.3
108.08096	1.5
110.09685	13.6
114.09149	0.4
128.10718	100.0
129.11058	0.9
135.67053	0.3
176.57607	0.3
237.30124	0.4
324.25064	0.4
486.29694	13.7
487.30005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
56.05036	2.7
57.03449	0.8
58.06602	2.9
67.05500	4.8
69.03439	1.1
69.07072	3.6
70.06596	3.7
72.08159	4.6
76.02239	3.4
79.05504	2.5
81.07072	8.4
83.08619	1.6
84.04507	1.9
84.08142	13.5
85.02899	1.5
86.09708	6.3
88.07610	0.9
91.05493	2.5
93.07053	2.7
95.08604	6.8
96.08123	1.1
97.06584	1.0
98.09711	1.9
98.22710	2.2
105.07050	2.1
107.08596	2.3
109.06583	1.2
109.10162	4.7
110.09711	1.1
111.10477	1.1
112.11274	1.6
114.09169	1.2
116.01666	0.9
116.10682	0.9
118.06564	1.1
119.08601	3.2
121.10197	1.1
124.11235	2.0
127.03981	1.5
128.10747	3.1
130.06540	1.9
132.08081	2.1
133.08989	0.7
133.10057	1.8
137.09686	1.1
144.01118	0.9
144.08104	5.9
145.10095	1.1
146.06006	7.3
149.13321	1.1
149.24467	0.8
159.09184	6.5
162.02238	3.5
170.06000	1.4
175.87852	0.8
179.04849	7.1
179.14357	2.5
188.07054	9.9
205.09779	1.1
214.83038	0.9
228.13560	1.0
233.09723	1.3
255.11232	1.1
263.24908	1.8
264.04218	1.0
264.23209	8.3
281.25815	5.2
282.24286	26.3
299.26950	1.1
300.25320	15.3
308.09216	1.5
339.17319	1.2
388.19495	1.2
402.75586	0.9
422.31430	1.6
424.33234	2.2
436.88571	1.1
468.32312	15.8
486.33331	100.0
487.21771	2.6
487.33548	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21055	0.6
53.03931	1.9
55.01851	2.0
55.05485	0.6
57.03426	1.7
61.02907	0.7
69.03429	13.3
69.07053	2.0
69.43755	0.7
69.44038	2.9
70.06245	0.7
70.06594	10.6
71.01352	0.8
71.05003	5.7
71.06924	0.7
72.08155	5.1
81.02969	1.0
81.03423	18.9
83.06059	0.9
84.04498	4.4
84.08160	4.4
85.02904	3.3
86.09711	27.9
87.05556	1.5
88.03996	0.6
91.05473	0.7
96.08111	0.8
97.02898	0.9
98.02380	0.7
98.97565	0.9
99.04462	8.6
101.07129	1.7
110.07152	3.0
113.10766	1.0
114.09181	0.9
116.07091	0.6
117.05482	2.6
118.06524	2.6
120.08073	0.9
127.08681	0.6
128.10712	1.4
128.65030	0.6
129.10249	3.8
130.04994	5.6
136.07568	0.8
138.09160	0.8
141.10236	3.4
143.11810	2.1
145.07596	5.5
147.04417	0.7
147.07669	6.6
147.09148	5.6
155.11780	3.8
157.13539	0.6
162.07872	1.0
171.11412	0.6
173.07118	10.7
175.08701	8.9
178.32278	0.6
183.11276	2.5
191.08157	100.0
192.08446	2.0
196.14456	0.6
200.13933	9.9
201.12341	0.8
204.10381	0.7
205.09761	0.9
209.10486	0.7
209.16579	1.1
213.10248	0.7
228.13423	8.0
233.09190	1.5
242.15045	1.2
245.11348	1.0
260.16080	9.1
270.93466	0.6
271.10815	0.9
289.11740	1.7
307.12885	28.9
325.13947	98.0
326.14297	2.0
341.21860	3.6
383.22906	0.9
427.15472	0.8
487.22128	1.1
487.28934	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.29070	0.3
53.48311	0.3
59.53552	0.3
69.07033	0.3
69.19021	0.6
69.19421	1.1
70.06559	0.5
72.08125	0.6
79.05473	0.4
81.07015	0.3
85.02885	0.5
86.09700	2.1
89.18582	0.2
96.08083	0.5
97.02866	0.3
98.09623	0.3
98.23444	0.6
105.07027	0.3
107.08566	0.3
110.09653	0.5
128.10669	0.7
152.12485	0.2
159.09152	0.3
188.06824	0.3
215.13855	0.3
245.18520	0.3
251.12492	0.6
263.16208	3.3
265.14056	1.3
282.71384	0.2
307.15131	0.7
325.16187	100.0
326.16525	2.4
427.16119	0.3
443.83334	0.3
473.28165	0.3
487.21475	48.7
488.21924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05509	0.2
63.78106	0.1
69.03439	0.2
69.07069	0.2
69.17027	1.0
70.06603	0.2
70.22545	0.2
72.08143	0.6
74.43044	0.1
81.07054	0.2
86.09702	1.1
93.07058	0.2
95.08611	0.2
98.22595	0.3
102.05653	0.1
102.64507	0.2
105.07028	0.3
112.08745	0.2
119.08540	0.2
121.10124	0.2
127.03974	0.2
179.07280	0.2
185.04257	0.4
191.55371	0.2
201.12411	0.2
203.05315	1.2
229.12064	0.2
259.07922	0.7
277.08948	0.7
291.19589	0.3
325.10168	0.2
325.16257	2.1
420.45209	0.2
443.22565	4.5
443.28787	0.3
487.21497	100.0
488.21896	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	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58108	0.2
67.05483	0.3
69.84753	0.7
70.06581	0.3
74.67151	0.2
81.07054	0.3
86.09696	0.3
105.07032	0.2
121.10179	0.3
134.28360	0.2
185.04230	0.3
222.96481	0.3
269.12799	0.2
273.14215	0.2
277.08954	0.3
302.94516	0.2
313.24863	0.2
325.16196	2.2
331.47070	0.2
350.25510	0.2
354.86447	0.2
443.16785	0.4
443.22528	4.5
487.21503	100.0
488.21906	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	487.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58722	0.4
55.05526	0.5
56.05027	1.3
57.03432	0.6
58.06591	0.5
69.07071	9.3
69.57996	1.7
69.93601	0.5
70.06593	1.8
71.04998	0.7
72.08149	1.7
72.08527	0.5
81.07059	1.1
84.04507	10.5
84.08147	1.5
85.02928	0.8
86.09708	100.0
87.10040	0.9
91.05515	0.4
92.00581	0.4
93.07083	0.5
95.08638	0.6
97.06555	0.7
98.09717	0.6
98.23427	0.9
99.04485	0.5
99.08054	0.5
102.05547	9.0
105.07039	0.9
110.07170	0.8
119.08559	0.5
121.02876	0.7
127.03934	0.7
128.10738	1.1
129.06624	5.5
129.10249	0.5
132.10225	1.7
133.10150	0.6
141.06702	0.7
152.10707	0.8
153.54738	0.4
170.11781	3.7
175.14804	0.5
181.59723	0.4
197.12854	5.7
199.18062	1.3
213.16144	0.6
215.13924	24.8
225.12407	2.1
227.17587	2.0
243.13406	16.6
245.18617	19.3
261.14655	0.7
275.16037	0.5
295.06216	0.7
307.06104	0.6
309.07584	0.8
310.21350	2.0
315.46201	0.6
335.09369	0.5
338.20874	2.9
345.07678	0.5
356.21750	3.9
373.07297	1.0
391.08398	0.7
459.10962	0.8
487.10489	4.9
487.21121	9.1
487.31970	4.2
488.32489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84208	0.5
55.05511	1.0
57.03447	0.6
64.42406	0.5
67.05489	1.4
67.80902	0.6
69.03426	1.2
69.07067	10.1
69.15201	2.8
70.06591	1.0
71.04954	0.9
72.08164	0.9
81.07062	1.4
84.08148	1.2
85.02897	3.2
86.03233	1.2
86.09706	100.0
87.10036	1.0
88.04000	4.1
90.37129	0.6
91.05471	1.3
93.07034	1.5
95.04944	0.7
95.08603	1.2
96.08142	2.4
97.02885	1.4
98.02377	1.0
98.09698	0.6
100.26794	0.5
105.07028	1.3
107.08602	1.4
109.10177	1.1
110.09695	0.7
119.08591	1.5
127.03921	1.2
128.10730	0.7
133.37178	0.6
135.11781	0.6
138.09114	0.6
141.10252	3.7
142.08643	1.0
145.04979	1.3
145.10121	0.6
146.11768	8.6
147.04317	0.6
156.10211	6.9
159.11700	1.1
166.98073	0.6
171.06310	0.6
172.99054	0.5
183.11385	1.6
184.09721	1.0
201.12337	30.5
229.11842	28.7
230.12296	0.7
238.36438	0.6
243.17142	0.6
247.31036	0.6
252.19661	0.6
259.17456	1.1
259.20178	18.2
259.22766	1.2
282.24258	0.6
283.24539	0.6
297.18182	1.0
314.20496	0.6
342.20258	6.0
343.17380	2.2
425.21536	4.3
427.19455	3.1
469.20294	0.6
469.32742	0.9
487.21445	59.5
487.32260	7.4
488.21918	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	488.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05522	0.3
56.05036	0.5
56.16168	0.2
57.03429	0.4
67.05466	0.3
69.03450	0.7
69.07059	1.1
69.37828	0.3
69.64307	0.7
70.02942	0.6
70.06593	3.9
72.08148	2.9
72.46842	0.3
72.73506	0.3
79.05505	0.8
81.07050	0.4
84.04522	2.3
84.08144	2.3
85.02917	0.7
86.09705	100.0
87.05625	0.4
87.10050	0.9
88.04002	1.2
91.05461	0.5
93.07043	0.6
95.08585	1.1
96.04478	0.7
96.08131	0.4
97.02920	0.4
97.06526	0.4
98.09682	1.6
98.23505	0.4
102.05553	1.1
105.07013	0.6
107.04990	0.5
107.08599	0.3
109.06522	0.4
110.07168	0.5
112.08648	0.3
112.11250	0.5
113.07185	0.3
114.05526	0.5
115.08702	1.2
117.07055	0.7
123.08070	0.7
128.10687	0.5
128.68587	0.3
129.06683	0.3
129.10242	1.5
132.10277	0.3
141.06587	6.4
141.10226	0.6
142.12271	0.7
143.11797	0.6
144.06577	0.4
156.10225	0.4
157.13527	0.3
159.07643	3.4
159.11327	0.3
166.08597	0.5
169.93129	0.3
171.11362	0.3
181.06082	0.5
183.11130	0.3
187.07129	5.4
187.10855	0.6
189.12347	5.6
199.18024	2.2
201.12320	2.7
226.08234	0.8
227.17584	3.2
229.11868	0.9
244.09279	1.1
245.18604	0.4
254.14970	1.4
254.85469	0.3
255.13507	0.4
272.16046	2.4
282.14581	0.5
286.14182	0.4
300.15533	25.5
301.15866	0.4
302.20630	1.6
311.17212	0.6
326.23257	5.5
327.23541	0.3
339.16559	0.4
341.13614	0.3
342.20142	0.5
345.60486	0.3
357.17645	0.5
367.23404	2.0
370.20209	0.4
385.24426	3.1
395.22855	0.5
407.82568	0.3
413.23947	3.0
470.26767	0.8
488.28247	7.5
489.17319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
53.57466	1.4
53.91869	1.2
55.01867	3.5
55.05510	4.8
57.03434	6.1
67.05502	19.9
68.31459	1.2
69.03422	2.5
69.07048	3.0
70.06580	1.7
71.04993	5.2
71.44959	1.3
72.08151	1.6
79.05482	13.0
81.03416	20.0
81.07056	20.6
83.04984	3.5
83.08664	1.3
85.02913	1.6
85.06548	4.6
86.09742	1.5
91.05476	8.6
93.07033	15.9
95.04981	10.7
95.08601	14.8
97.06534	2.1
99.08125	1.3
105.07026	6.6
105.32288	1.2
107.04968	8.0
107.08604	8.3
109.06522	19.5
109.10158	1.6
111.08065	2.1
113.06005	15.4
117.07021	7.6
119.08579	2.9
121.06509	3.6
121.10168	1.8
123.08065	9.5
127.03931	1.6
129.06958	1.3
131.08583	5.9
133.10110	3.3
135.08047	14.8
135.11700	7.0
141.06993	2.8
143.08582	1.5
145.06514	4.5
145.10123	3.4
149.09634	2.7
149.13272	2.9
159.11696	6.8
161.09624	2.1
169.10158	2.8
177.12741	4.6
187.11234	5.4
195.13811	3.3
199.14885	1.1
205.12305	1.5
217.15982	6.1
221.15283	3.2
223.13264	3.5
227.18024	1.2
241.14328	6.0
255.17651	1.2
273.18536	10.9
291.19543	100.0
292.19827	1.7
308.29575	1.5
309.20615	11.0
326.30545	5.4
488.35367	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	488.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01065	0.6
53.03927	0.7
55.05510	6.2
56.05037	3.9
57.05824	0.8
57.59868	0.6
58.06591	1.3
60.04518	1.7
60.05645	1.9
69.03423	1.1
69.07069	4.7
70.06591	34.4
71.04987	2.2
71.06922	1.3
72.08155	46.3
73.08492	1.3
74.06077	2.6
82.06575	1.2
83.06098	1.4
83.08627	7.3
84.04507	9.2
84.08143	100.0
85.02896	2.5
85.06558	0.8
85.08482	1.6
86.06064	0.7
86.09706	47.2
87.10054	0.9
88.04001	1.4
94.15286	0.7
95.06108	1.0
96.08138	1.7
97.02921	1.0
98.06061	0.8
100.11272	1.1
101.07116	0.8
101.10777	4.7
102.05549	7.6
110.07153	3.5
111.08092	1.3
111.09228	1.3
112.07594	1.1
112.08723	9.0
114.09224	0.8
115.08698	2.1
116.07095	1.5
117.09135	0.6
120.08129	1.2
126.09184	0.9
127.03971	0.7
127.08667	1.2
129.09154	12.0
129.10223	68.7
130.05011	5.8
130.08665	2.6
130.10605	1.6
133.06120	0.6
138.09166	1.9
138.12837	0.9
139.08641	1.3
140.08197	1.4
141.10217	1.4
143.11813	1.1
144.10197	5.4
145.06047	1.0
147.07648	7.7
147.10178	4.7
147.11307	3.3
148.06029	5.5
152.14359	2.4
153.10237	0.7
155.11810	0.6
155.67139	0.6
156.10255	1.9
157.10875	0.9
161.12857	4.4
163.03912	1.1
182.12965	0.9
183.11319	2.3
183.14905	6.6
185.16519	2.6
187.10748	3.5
187.14418	0.7
197.12901	1.8
197.16469	7.4
199.14331	0.6
199.18091	0.8
201.12331	9.4
210.16054	1.3
211.14627	1.0
213.15988	3.8
214.19211	0.9
215.13966	2.4
222.12355	1.0
224.17639	1.5
225.17171	5.9
228.17084	1.0
229.11792	7.0
240.13388	4.2
242.18602	6.9
242.20610	0.7
243.13521	2.2
245.11255	0.7
246.14587	1.9
247.12903	6.8
253.16728	1.3
258.14560	1.0
260.16122	2.7
260.19720	7.3
261.14450	2.0
266.02905	0.8
274.13986	1.2
306.21542	0.9
313.26080	1.5
323.24591	1.4
324.19275	0.8
341.25479	4.4
342.20328	1.1
357.21228	1.2
360.21320	1.0
371.22903	1.4
396.35464	0.6
470.30612	1.3
471.28931	2.1
488.31305	65.4
489.18585	0.7
489.31525	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	488.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.8
54.95303	0.4
55.01825	1.3
55.05462	5.2
56.04982	1.3
57.03381	7.9
57.07026	0.5
57.51046	0.3
58.06572	0.6
61.02871	2.0
67.05504	13.5
67.05832	0.7
69.03429	7.6
69.07066	8.3
69.77754	0.6
70.06543	0.5
71.04987	1.9
72.04472	1.0
72.08157	4.8
73.02886	0.8
79.05492	5.1
81.03417	2.6
81.07058	17.0
81.07495	0.8
83.04949	0.8
83.08620	3.8
84.08118	0.7
84.66520	0.4
85.02910	10.9
85.06507	0.9
86.09626	0.7
87.04412	1.0
91.03928	0.6
91.05425	1.6
93.07054	5.3
95.08605	22.9
97.02892	4.8
97.06533	7.0
97.10094	1.5
98.09692	23.1
99.04404	1.0
99.08095	7.6
102.09142	0.9
105.06960	1.4
107.08605	4.6
109.02821	1.5
109.06485	0.6
109.10157	7.0
111.08005	1.0
113.09650	3.6
115.07502	0.6
119.08532	0.9
121.10148	3.7
123.11630	1.3
124.11198	0.7
125.09608	0.9
127.03918	2.0
133.10065	1.2
135.11734	2.0
142.12279	14.8
142.49803	0.4
144.10126	0.7
145.04919	0.6
146.30989	0.4
147.11641	1.1
149.13161	1.7
156.13696	0.6
216.12274	0.5
263.23648	1.4
290.28464	0.9
308.29462	13.0
309.29639	0.6
324.29099	0.5
326.30524	100.0
327.30872	2.3
368.31589	0.8
487.87698	0.4
488.35870	77.1
489.36194	2.5
505.85922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.6
55.01839	1.0
55.05462	3.2
56.04999	0.9
57.03385	7.9
57.12282	0.5
61.02874	1.4
67.05507	9.5
69.03431	5.8
69.07066	5.1
69.67952	1.4
70.06560	0.8
71.04969	0.8
72.04460	0.8
72.08151	5.0
73.02872	1.0
79.05495	3.4
81.03411	0.9
81.04390	0.4
81.07057	10.0
83.04954	0.7
83.08611	2.3
84.08089	0.9
85.02901	6.9
85.06503	0.7
86.09665	0.6
87.04465	0.8
91.05426	1.6
93.07048	4.0
95.04902	0.6
95.08603	10.2
97.02900	3.2
97.06535	2.8
97.10101	0.7
98.09692	18.8
99.04423	0.9
99.08096	2.9
105.07001	0.8
107.08614	2.8
109.02802	1.3
109.10165	4.2
113.05952	0.4
113.09573	1.6
119.08521	0.8
121.10079	1.9
125.09542	0.8
127.03838	1.5
135.11621	1.3
142.12265	11.5
147.11642	0.7
149.13185	1.0
174.34993	0.5
189.15825	0.4
263.23642	0.5
290.28369	0.7
308.29483	15.4
326.30518	83.6
327.30878	1.5
470.34949	0.6
488.35852	100.0
489.35938	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	489.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59136	0.2
67.05482	0.3
69.07091	0.2
70.06580	1.1
72.08159	0.3
81.07047	0.4
81.89264	0.2
86.09711	0.6
93.06998	0.2
107.08595	0.3
109.10170	0.2
165.09157	0.3
226.55893	0.2
276.68893	0.2
317.08511	0.4
335.09674	0.3
357.18805	2.8
367.19147	0.2
489.23068	100.0
490.23328	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	489.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
59.19857	0.3
67.05499	0.8
69.07071	1.0
69.17307	1.3
69.17717	0.6
70.06594	1.7
72.08157	0.9
79.05498	0.7
81.07065	1.3
84.08169	0.3
85.02895	0.5
86.09719	2.5
91.05486	0.6
93.07046	1.0
95.08603	0.9
99.08134	0.4
105.07025	0.5
107.04967	0.4
107.08605	1.3
109.10164	0.8
119.08617	0.6
120.08090	0.4
121.10173	0.5
123.08049	0.5
123.11688	0.4
125.09695	0.4
133.10143	0.4
135.08157	0.3
137.05962	0.3
137.09677	0.4
137.93730	0.3
145.10098	0.4
165.09140	2.0
168.06339	0.3
201.12431	0.3
239.75739	0.4
264.72983	0.3
297.27853	0.4
305.08273	0.5
324.17715	0.4
327.17786	0.6
380.52802	0.3
489.23090	100.0
490.23367	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	489.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05511	10.5
57.03179	1.2
57.03440	12.5
57.07078	3.1
65.03925	2.5
65.61007	0.9
67.05504	49.9
69.07076	9.7
70.06602	1.4
71.05001	1.6
71.08633	1.3
71.45812	1.3
72.08170	0.9
79.05499	34.3
81.07059	50.8
83.04983	2.2
83.08610	6.5
85.06548	2.2
91.05482	22.0
93.07045	41.2
95.04977	4.5
95.08606	39.7
97.06510	2.6
97.10181	3.5
98.98469	71.7
101.94846	1.0
105.04520	2.1
105.07029	17.8
107.03392	0.9
107.08593	25.9
109.10162	19.4
111.08114	1.6
112.85802	0.9
115.05421	1.0
117.07021	7.0
119.08585	14.2
121.10148	23.6
123.08150	0.9
123.11692	6.4
125.09623	1.6
129.05493	0.9
131.08566	13.0
133.10141	12.2
135.08014	0.9
135.11690	16.9
136.99989	5.9
137.09602	1.6
137.13246	1.8
140.01096	1.1
145.10126	10.9
147.11678	9.5
149.09703	1.1
149.13271	12.2
151.14877	1.7
153.12727	1.4
155.01041	68.6
157.10129	1.6
159.11702	8.0
161.13242	7.8
163.11223	1.3
163.14853	7.4
163.82062	1.0
173.02094	1.1
173.13252	9.5
175.14851	3.5
177.16396	2.7
187.14873	4.5
201.16374	3.1
211.03720	4.0
229.04799	5.6
233.22615	1.4
243.21082	18.5
261.22147	31.0
261.24921	1.6
291.23279	1.1
299.23688	2.6
317.24741	13.3
335.25800	100.0
336.26163	2.7
399.97443	1.1
415.22421	2.3
471.25082	17.2
488.43069	5.7
489.35571	5.2
489.43231	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	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03945	2.6
53.78426	1.1
53.90663	0.9
55.01880	1.8
55.05514	16.1
57.03431	3.0
57.07073	3.3
59.04996	3.4
64.96960	0.9
65.03930	3.5
67.05505	100.0
69.07069	11.6
71.04996	3.3
71.46307	0.9
72.01127	1.0
79.05498	29.8
80.05786	1.0
80.45373	0.8
81.07058	36.9
83.04984	2.4
83.08633	7.6
85.06534	2.2
90.95039	0.8
91.05480	24.3
93.07047	30.4
95.04971	4.8
95.08604	24.5
97.06547	2.5
97.10188	2.0
105.04533	2.3
105.07027	16.7
107.07932	1.3
107.08599	18.2
109.06528	2.0
109.10157	51.4
111.08078	3.0
111.48151	0.9
111.79057	0.9
115.24871	1.1
117.07014	5.9
119.08590	16.9
121.10139	16.0
123.11707	2.2
125.09634	1.0
129.07080	2.0
131.08580	11.4
133.10143	11.1
135.11690	8.3
137.09615	3.0
143.08578	3.3
145.10136	8.4
147.11682	6.9
149.13295	4.8
155.08533	1.6
155.10678	3.5
157.10146	2.2
159.11700	7.2
161.13225	4.4
163.14799	1.6
163.46719	0.9
171.11676	2.8
173.11771	16.1
173.13280	5.2
175.14897	2.1
183.11679	1.3
185.13326	2.2
187.14822	2.9
197.13274	1.2
199.14761	1.7
200.54971	0.9
201.16304	1.0
213.14801	1.1
241.19594	1.4
243.21179	2.5
247.20340	0.9
261.22168	5.9
275.58429	1.0
285.21863	1.3
299.23895	1.4
299.97775	0.9
317.24771	2.2
333.24225	1.1
377.26956	1.1
379.30014	3.8
397.30972	5.4
415.32254	1.1
466.32346	1.1
471.34686	5.9
489.35809	96.8
490.36066	5.6
501.36270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.7
57.07637	0.5
70.06577	1.2
71.17988	0.6
84.04503	77.2
84.08095	1.0
85.02903	1.6
102.05541	25.9
126.21415	0.6
129.10271	0.6
130.04999	37.6
147.07558	1.1
148.06042	100.0
150.16914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28226	2.2
53.03957	2.4
55.01877	7.6
55.05509	20.9
57.03437	14.7
57.07076	3.6
61.02926	6.3
67.05504	44.6
67.75084	2.0
69.03427	16.8
69.07063	22.6
69.16087	13.6
71.04982	5.6
71.08643	2.2
72.04584	2.0
72.08138	3.8
79.05495	37.5
81.03419	11.4
81.07054	47.7
81.56686	2.3
83.04990	6.1
83.08620	15.8
85.02908	26.1
85.06548	3.8
91.05483	33.0
93.07047	52.7
95.04971	13.9
95.08601	37.5
97.02888	12.2
97.06518	14.2
97.10173	9.6
98.09691	27.1
99.04457	2.7
99.08100	10.4
105.04518	3.5
105.07031	26.7
107.04964	3.0
107.08589	29.8
109.02908	6.9
109.06509	4.6
109.10162	23.8
110.06837	2.5
111.08096	4.6
111.11756	2.8
113.09620	3.2
117.07026	6.4
119.08584	24.9
121.06512	3.7
121.10142	21.1
123.08113	4.7
123.11739	7.0
125.09630	7.5
127.03937	5.4
129.06961	3.8
131.08603	12.5
133.10126	17.8
135.08046	5.1
135.11705	15.8
137.09601	6.7
139.11224	2.9
142.12268	14.3
145.05005	5.1
145.10114	11.4
147.07993	3.0
147.11687	10.8
149.09663	6.4
149.13274	7.7
155.10674	3.5
157.10181	5.6
159.11679	6.6
161.13297	3.0
163.11172	5.1
169.10168	4.0
173.11760	12.9
173.13174	3.1
173.86797	1.9
177.12668	4.3
180.08685	2.8
181.12273	8.3
183.11797	2.5
187.11143	2.9
189.11227	6.8
195.13776	10.7
199.13324	3.0
223.13354	6.6
235.16919	22.8
239.18007	5.8
257.18973	7.0
275.17087	3.1
275.20071	61.6
293.21082	18.4
310.31006	15.4
325.12418	2.6
328.32092	100.0
328.36041	4.9
429.20343	3.4
472.99585	2.7
490.37366	86.6
491.37723	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	490.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01873	6.0
55.05258	2.1
55.05511	33.6
56.05034	1.1
57.03439	5.4
59.04977	1.3
61.02923	2.3
65.03938	1.6
67.05156	2.1
67.05505	37.2
69.03430	14.9
69.07066	26.5
69.40463	5.3
70.06573	1.3
71.04987	3.7
73.02907	1.4
79.05495	34.9
81.03409	8.6
81.07055	32.9
81.07470	0.6
83.04974	5.6
83.08614	22.0
85.02904	17.6
85.06503	1.2
87.04485	1.7
91.04943	1.8
91.05476	26.6
93.07040	27.5
95.04964	6.1
95.08604	22.4
97.02876	7.9
97.06517	5.8
97.10166	32.8
99.04430	2.7
99.08067	1.1
105.07029	30.0
105.63276	1.1
107.04943	6.4
107.08595	64.6
109.02888	6.2
109.06506	4.9
109.10155	13.4
111.08046	3.1
117.07015	8.4
119.08576	19.1
121.06466	2.6
121.10129	10.3
123.08042	1.7
123.11729	3.5
125.09628	29.3
127.03947	7.2
129.06972	2.1
131.08553	11.9
133.10120	20.4
135.08041	5.3
135.11711	5.6
137.09619	3.2
138.12799	3.1
141.07019	1.4
143.08585	3.5
143.10672	1.7
145.04962	3.2
145.10120	15.8
147.08018	1.9
147.11679	13.9
149.09599	12.1
149.13298	2.3
151.11119	1.5
153.09102	2.2
155.08574	1.5
155.10638	3.0
157.10098	2.2
159.11702	10.5
161.09592	1.9
161.13254	6.2
163.11185	5.7
171.10179	2.9
171.11615	1.9
173.09694	1.2
173.11731	7.0
173.13211	3.7
175.11195	2.0
179.14355	4.8
181.12251	1.7
183.11674	2.0
185.13234	1.8
187.11206	2.4
187.14835	1.2
189.11223	37.7
189.12697	1.4
191.14304	1.3
197.13181	1.3
200.01030	1.1
207.13808	1.6
212.16515	1.8
215.10770	1.2
215.14212	1.2
219.13818	1.5
223.13321	1.2
229.19519	1.3
239.17944	5.2
247.20624	2.7
257.18997	14.1
275.20053	100.0
276.20435	3.6
279.09824	1.1
292.22562	1.2
293.21109	11.3
310.23706	3.2
328.31693	1.3
329.59503	1.1
340.19278	1.1
349.23721	30.7
416.76532	1.2
490.36371	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	490.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01865	5.1
55.05509	8.9
57.03419	2.2
61.02911	1.8
67.05506	16.3
69.03429	3.8
69.07072	10.3
69.66998	4.4
74.05521	1.5
77.09325	1.3
79.05492	16.2
81.03424	3.0
81.07056	49.9
83.04988	3.8
83.08620	6.9
85.02900	13.1
85.06525	2.2
91.05461	14.4
93.07049	15.0
95.04961	4.7
95.08616	14.0
97.02906	4.6
97.06542	3.5
97.10201	1.9
99.08109	3.6
103.01952	1.4
105.07033	14.3
107.04945	5.1
107.08582	9.8
107.55226	2.1
109.06515	16.6
109.10185	8.3
111.08059	3.0
117.07030	3.3
119.08570	14.6
121.06503	4.3
121.10117	8.8
123.08088	5.8
123.11661	3.1
127.03884	2.9
127.88835	1.6
129.06981	1.7
131.08548	5.7
133.10149	9.5
135.08047	3.4
135.11694	4.5
137.09641	2.8
144.09364	1.5
145.04955	2.4
145.10098	5.6
147.11685	12.0
149.09621	6.2
149.13242	3.2
157.10161	3.3
159.11693	6.2
161.13210	2.2
163.11191	5.8
165.12743	4.9
169.98726	1.9
171.11815	1.8
173.09846	1.6
173.13318	2.6
175.11197	3.3
180.08701	6.0
183.11633	2.2
190.69409	1.5
193.12250	2.3
207.13914	1.5
221.15233	1.7
229.19444	2.2
239.17883	3.8
247.20729	2.2
257.18933	10.8
271.18686	1.7
275.20062	100.0
276.20294	1.9
293.21109	79.5
490.37125	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	490.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01834	1.2
55.05470	1.7
56.04994	1.2
57.03438	6.9
58.06573	0.7
61.02901	1.0
67.05505	3.7
69.03433	4.5
69.03764	0.8
69.07070	3.7
70.06591	3.9
71.04951	1.1
72.04473	0.5
72.08154	5.3
73.02882	0.7
73.32555	0.4
79.05502	6.0
81.03367	1.4
81.07059	5.9
83.04958	0.8
83.08582	0.5
83.53214	0.4
84.04533	0.4
84.08091	1.3
85.02905	6.0
85.06506	1.0
86.09717	2.5
87.04459	0.8
91.05485	4.1
93.07047	7.0
95.04913	1.1
95.08606	4.2
96.08128	0.4
97.02895	3.1
97.06546	3.1
97.10109	0.7
98.09697	16.0
99.04420	0.9
99.08084	2.4
102.09132	0.7
105.07016	3.7
107.08588	4.5
109.02827	0.8
109.06513	0.7
109.10130	0.7
110.09644	0.7
111.08060	1.9
113.09666	2.0
115.07561	0.9
117.06984	2.0
119.08611	2.3
120.08069	0.6
121.06450	0.4
121.10112	0.9
123.08030	1.1
124.11176	0.6
125.09566	1.4
127.03893	1.1
128.10698	1.0
129.06947	0.6
131.08580	3.1
133.10127	3.2
135.08072	3.1
135.11681	0.6
139.07463	0.4
142.12259	8.8
142.51186	0.4
143.11771	0.4
145.02769	0.4
145.04846	0.6
145.10120	2.4
147.04436	0.4
147.11627	1.7
149.09592	1.0
153.09055	1.8
157.10088	1.2
158.15413	0.4
159.11725	0.8
161.09569	0.7
163.03917	2.3
163.11189	0.8
171.11528	0.8
173.13196	0.7
175.11163	0.8
179.10469	0.4
183.68704	0.3
187.14830	0.6
189.12781	0.5
212.16313	0.6
215.13988	0.6
229.15961	0.6
230.17088	0.4
266.24771	0.6
282.24252	0.8
292.22928	0.9
310.20129	0.5
310.23749	12.2
328.24811	88.9
329.25134	2.0
348.22272	0.4
370.84988	0.4
395.18552	0.4
445.88742	0.4
472.16583	0.5
472.29013	1.2
490.30115	100.0
491.30774	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	490.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99293	1.9
55.01888	3.4
56.05023	2.5
57.03426	7.0
61.02935	2.2
67.05505	6.3
69.03417	7.5
69.07063	5.6
70.06583	4.1
72.08154	9.4
79.05490	8.4
81.07068	11.8
85.02909	10.7
86.09704	4.0
91.05478	5.8
93.07034	9.8
93.87469	2.2
95.08617	4.9
97.02883	4.5
97.06534	7.2
98.09690	22.4
99.08091	8.3
104.54871	2.1
105.07050	4.0
107.08604	5.8
109.02831	2.5
111.08068	3.5
117.07008	3.4
119.08594	4.1
125.09628	2.3
127.03917	4.7
128.81888	2.0
131.08553	2.6
131.51726	1.8
133.10153	3.8
135.08081	2.8
142.12283	17.0
145.10077	3.5
153.09084	6.6
155.64169	1.9
163.11125	2.2
220.23392	2.5
229.16121	2.0
235.29759	2.0
310.23666	10.6
328.24808	100.0
329.25323	2.6
490.30066	89.6
491.30981	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	490.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01881	1.1
55.05511	6.6
56.05034	0.8
57.03435	8.8
61.02932	1.3
67.05504	10.0
67.21985	0.8
69.03428	5.0
69.07069	8.3
69.15900	1.8
69.16299	3.5
70.06599	0.9
71.04990	2.0
71.40490	0.8
72.04491	1.0
72.08165	4.6
72.65140	0.8
73.02919	1.1
74.84995	0.8
79.05491	4.9
79.13666	0.8
81.03407	2.3
81.07059	11.8
83.04977	1.4
83.08604	3.8
84.08161	0.9
85.02901	7.8
85.06508	1.0
86.09694	1.0
87.04448	1.7
91.05487	3.6
93.07065	4.4
93.36113	0.7
95.04925	0.7
95.08597	11.0
97.02887	5.1
97.06522	3.5
97.10177	3.2
98.09695	21.0
98.10319	1.5
99.04443	1.5
99.08092	3.6
102.09192	1.2
105.07050	2.5
107.04961	0.8
107.08603	3.2
109.02896	2.2
109.06500	1.3
109.10132	4.7
111.08111	0.9
113.09657	2.3
117.07050	1.2
119.08594	2.2
121.06510	0.8
121.10136	1.9
123.11714	1.1
125.09647	0.9
127.03909	1.7
131.08543	1.2
133.10144	1.5
135.11697	1.7
142.12260	10.6
145.10173	1.1
147.11700	0.8
149.09589	0.8
149.13254	1.3
159.11685	1.1
161.13350	0.9
161.15703	0.7
163.11177	0.8
173.11755	1.6
173.13286	1.0
181.12306	1.2
186.28534	0.7
195.13773	0.8
229.14191	1.2
265.25262	0.7
275.20166	4.6
293.21262	1.7
310.31015	16.1
326.30896	0.9
328.32077	84.3
329.32550	1.9
333.27960	0.8
463.23160	0.8
490.37387	100.0
491.37775	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	491.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40379	0.3
51.72458	0.3
55.05518	0.8
56.05034	0.7
60.62094	0.3
67.05515	0.4
68.05032	0.4
69.03448	0.4
69.22419	0.9
69.22817	0.8
70.06593	100.0
71.06929	0.8
72.08159	9.2
84.04510	4.2
84.08146	0.9
85.02911	1.4
86.09714	2.7
87.10069	0.3
88.39281	0.3
91.05489	0.5
92.48494	0.3
93.07069	0.7
96.08175	0.4
97.02884	0.4
98.11526	0.3
101.07153	0.3
102.05544	4.3
103.03918	0.3
103.05469	2.1
104.07072	0.3
116.07104	3.0
118.08666	1.3
119.04987	0.3
119.58767	0.3
120.08105	51.4
121.08434	0.4
127.03906	0.6
129.10252	0.7
131.04903	0.6
133.10138	0.3
145.02911	0.3
145.05000	0.6
147.04449	0.4
169.13391	2.1
181.09686	1.8
184.00450	0.3
186.09137	1.8
197.12915	0.4
209.09267	1.1
213.16136	0.4
215.13913	78.5
216.12375	0.6
216.14262	1.6
217.13600	0.4
219.14932	2.7
227.10281	3.7
245.11298	3.8
247.14413	3.4
249.12355	5.5
277.11819	3.8
326.17172	0.4
341.06522	0.5
353.06519	0.7
376.18878	1.5
395.07413	0.4
407.07745	0.4
491.20709	3.2
492.30344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.05509	20.8
57.03445	5.0
57.07068	5.3
67.05506	62.8
68.60271	3.1
69.03417	8.2
69.07063	37.3
70.06583	11.4
71.04987	6.7
71.44822	3.2
72.08147	3.5
73.02905	3.8
79.05492	44.1
81.03399	6.5
81.07059	100.0
81.85171	3.4
83.04964	9.5
83.08598	28.9
85.02895	8.4
85.06540	10.9
86.09691	11.9
91.05478	38.7
93.07045	50.4
95.04970	12.9
95.08617	51.3
95.64870	2.8
97.06531	15.5
97.10173	7.7
99.08099	4.7
105.07034	34.7
107.04954	6.4
107.08595	34.9
109.06510	9.2
109.10157	32.0
111.08061	5.2
111.11711	4.2
117.07014	14.6
119.08591	21.2
120.08114	8.4
121.06531	5.5
121.10130	16.1
123.08046	3.9
123.11689	18.3
125.09649	4.0
129.06952	4.4
131.08540	12.0
133.10130	35.5
135.08061	4.1
135.11732	14.5
137.09584	14.1
137.13249	6.3
145.10086	8.9
147.04404	3.4
147.11676	16.2
149.09599	13.4
149.13232	34.0
151.07584	4.0
151.14734	4.4
159.11668	15.8
161.13222	5.4
163.11179	7.5
163.14813	3.8
165.09128	67.5
165.12798	3.5
171.11766	3.3
173.11755	8.0
173.13263	9.0
177.12776	12.2
179.14444	3.9
187.53543	3.2
195.13803	82.4
196.14163	3.8
205.12343	3.6
213.14842	77.9
213.16734	5.8
213.59682	3.1
217.12085	3.2
235.16870	3.9
238.71432	3.2
257.19009	11.5
275.20068	98.5
293.21106	23.6
293.28574	4.1
329.14554	5.4
460.28851	4.1
491.19858	4.9
491.29422	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09544	0.7
55.01875	1.3
57.03421	2.0
65.60946	0.6
68.83435	0.7
69.03435	9.6
69.29498	2.9
72.08147	0.9
72.35807	0.7
73.02925	1.0
75.54012	0.7
79.05483	2.3
85.02903	9.3
87.04480	6.0
90.29855	0.7
91.05476	2.3
95.04944	1.1
97.02899	7.3
103.05466	18.0
105.07030	21.6
113.02354	1.6
115.03945	6.5
115.05471	1.6
115.24545	0.7
119.04961	1.7
127.03900	2.1
131.04927	50.7
133.05032	7.9
133.06490	100.0
134.06824	1.4
137.05997	2.8
145.04976	2.2
147.04398	2.5
149.05983	1.8
150.07590	1.4
151.07603	3.5
159.09192	0.9
163.07527	27.9
165.05499	4.9
171.61954	0.7
178.01822	0.8
210.95378	0.7
269.20856	0.7
305.69583	0.7
355.18869	0.8
374.54306	0.9
492.27948	2.9
504.74490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
63.50964	0.4
69.03435	0.9
69.16054	2.3
77.03924	0.5
84.77294	0.3
85.02895	0.5
87.04452	0.5
95.04990	0.7
97.02913	0.7
98.23421	0.9
103.05469	38.9
104.05810	0.8
104.07268	0.3
105.04553	0.4
105.07059	0.5
115.03936	0.9
131.04927	100.0
132.05269	1.3
133.04994	1.3
133.06505	2.6
139.22963	0.4
144.87885	0.4
150.07658	0.6
151.07582	0.6
163.07542	44.9
164.07820	0.5
165.09062	0.4
218.37943	0.5
259.08377	0.6
278.32559	0.3
350.21683	0.4
360.75134	0.4
373.46469	0.4
435.26843	0.3
492.14722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74200	0.2
54.32205	0.2
55.05512	0.3
56.05030	0.4
58.06614	0.5
59.07401	0.1
60.08164	6.2
67.05499	0.7
68.03579	0.2
69.07034	0.3
71.07371	2.5
71.34682	0.3
81.07060	0.9
83.08611	0.2
86.09705	28.0
89.50890	0.2
91.05468	0.3
95.08607	0.5
98.98467	2.5
104.10735	3.0
107.08524	0.2
109.10183	0.2
112.88736	0.2
124.61588	0.2
125.00002	20.6
132.92010	0.2
133.10159	0.2
144.66728	0.2
151.07568	1.3
183.81177	0.2
184.07338	100.0
185.07687	0.6
278.81201	0.2
355.18881	0.2
474.29770	1.1
492.30884	3.0
508.96155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.05026	1.0
57.03421	1.2
58.06583	1.5
60.08163	17.0
67.05498	3.8
69.07062	1.4
70.52222	1.1
70.52538	0.6
71.07371	4.9
79.05491	1.0
81.07056	3.0
81.50484	0.6
86.09706	47.3
91.05488	0.7
93.07043	1.4
95.08593	2.1
98.98470	3.9
102.15430	0.7
104.10744	99.3
105.07038	0.7
107.08527	0.8
109.10127	1.4
119.08587	0.8
124.99998	27.3
131.85277	0.6
151.07527	5.5
184.07341	100.0
258.11154	0.7
309.24036	0.9
355.19070	1.2
382.15164	0.6
474.29694	7.9
492.30893	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01873	12.1
55.05514	8.9
57.03439	1.7
57.07085	1.9
61.02921	2.2
67.05514	14.7
69.03422	4.4
69.03762	1.0
69.07066	7.4
70.14391	3.3
71.04985	1.6
71.08627	9.4
79.05496	11.3
81.03430	4.9
81.07053	16.5
83.04980	5.5
83.08614	9.3
85.02911	13.9
85.06554	1.6
85.10191	4.5
91.03986	1.4
91.05482	11.3
93.07061	10.1
95.04985	3.6
95.08596	9.8
97.02888	4.0
97.06543	4.7
97.10174	2.3
98.23355	1.7
99.08079	5.9
105.07046	7.9
107.04974	1.1
107.08588	6.7
109.02824	1.5
109.06529	1.6
109.10137	5.8
111.08079	18.6
113.09650	4.6
117.07015	1.4
119.08557	7.5
121.10168	4.6
123.11739	2.1
125.09610	1.7
129.07002	2.3
131.08604	2.8
133.10120	11.1
135.11694	3.5
137.09581	1.6
137.13211	1.6
139.11186	3.3
145.05003	3.3
145.10150	1.7
147.11676	6.4
149.09612	3.4
149.13260	5.6
151.07568	5.9
151.11183	9.6
153.12791	1.3
157.10065	2.0
159.11783	1.5
161.13254	4.8
163.11186	2.2
163.14819	1.3
165.12785	10.7
167.14259	1.2
171.11835	2.1
175.11206	3.3
175.14796	2.3
179.14320	7.0
180.08626	3.8
189.12866	1.3
193.12358	1.5
193.15739	1.6
207.13803	1.6
221.15472	1.8
231.21162	1.8
241.19336	2.9
241.26645	1.3
249.22198	2.3
259.20569	8.5
277.21628	100.0
278.21869	1.5
283.48199	1.2
295.22681	92.4
296.23068	1.8
313.23657	1.5
332.42133	1.3
355.19131	2.4
492.22705	1.4
505.07849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97195	5.3
55.01864	6.3
55.05514	39.4
57.03431	11.9
67.05510	65.4
69.03438	16.6
69.07066	15.0
69.79243	7.0
71.04990	10.3
71.08627	15.7
79.05488	38.2
81.03419	23.2
81.07057	69.2
82.15635	5.6
83.04978	13.1
83.08631	35.9
85.02913	35.5
91.05469	25.4
93.07054	36.1
95.04971	13.2
95.08598	28.7
97.02898	19.8
97.06470	6.1
97.10168	33.1
99.04472	5.9
99.08099	20.8
105.07020	21.2
107.04947	6.9
107.08612	28.4
109.02881	6.8
109.06493	5.8
109.10164	23.4
111.08093	7.4
117.07006	5.0
117.10735	4.9
117.78794	4.7
119.08597	12.7
120.08160	4.9
121.10139	12.1
123.11708	8.8
125.09628	39.7
127.03905	16.3
129.06950	7.1
131.08553	5.7
133.10127	12.1
135.08115	7.3
135.11690	13.4
145.04999	5.3
145.10120	5.0
147.11644	11.4
149.13275	8.5
151.07544	47.3
151.11189	16.3
155.10718	7.4
159.11668	6.5
161.13310	15.1
163.11188	6.6
165.09172	8.4
173.11772	32.3
175.14865	5.7
179.14310	11.7
182.92950	5.2
189.11220	48.7
195.13858	17.5
201.52800	5.2
231.21097	5.8
241.19550	7.5
259.20383	12.1
277.21658	100.0
295.22620	38.1
295.75635	4.7
331.18750	40.8
340.16885	5.8
351.21390	5.6
355.19360	9.2
402.90979	5.0
492.38980	14.7
493.24127	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3172
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
53.03907	0.7
55.01846	0.7
55.05458	1.3
56.04979	1.0
57.03381	7.5
58.06562	0.6
59.04892	0.3
60.15408	0.3
61.02867	1.0
61.03148	0.3
67.05502	5.8
67.05823	0.3
69.03428	4.0
69.07069	3.1
69.66370	1.1
70.06583	3.7
71.04987	1.4
72.04466	0.7
72.08152	6.7
73.02852	1.0
73.46500	0.3
79.05488	3.5
81.03362	1.3
81.07051	6.8
83.04933	0.7
83.08559	0.8
84.04454	0.3
84.08150	2.7
85.02905	4.7
85.06474	1.1
85.08899	0.3
86.06013	0.7
86.09707	3.2
87.04472	2.0
89.24820	0.3
91.03925	0.5
91.05481	2.4
93.07038	4.1
94.07341	0.3
95.04896	1.0
95.08603	5.9
95.61064	0.3
96.08093	0.4
97.02895	2.5
97.06524	3.1
97.10111	0.7
98.09692	13.0
99.04378	0.8
99.08091	2.7
99.09979	0.3
100.08351	0.3
102.09145	0.6
103.03887	0.4
103.05388	0.3
104.07030	1.3
105.06999	1.7
107.08593	3.2
109.02805	1.2
109.06460	1.0
109.10156	5.0
110.09621	0.3
111.07986	0.9
112.11167	0.3
113.09653	2.0
115.07506	0.9
117.06950	0.4
119.08575	1.9
120.08112	4.7
121.10146	1.8
123.11663	0.3
124.11207	0.6
125.09560	1.2
127.03893	1.8
127.11110	0.4
129.10252	1.6
131.08521	0.9
133.10143	2.0
135.08000	0.5
135.11674	1.9
136.07532	0.7
137.09543	0.9
142.11217	0.5
142.12263	8.2
143.11710	0.3
145.04906	0.8
145.10071	1.0
147.04324	0.4
147.11603	0.9
149.09558	0.4
149.13210	0.5
151.07518	2.6
151.11127	0.9
155.10663	0.6
157.10008	0.4
158.15404	0.3
159.11598	1.5
161.13191	0.5
163.11116	0.3
165.08977	0.4
165.10258	0.4
167.07118	0.3
171.11595	0.5
173.11674	1.8
173.13228	1.0
175.14828	0.5
177.12695	0.6
191.14153	0.3
193.15816	0.4
213.16202	0.9
227.16411	0.5
231.17380	0.6
249.18544	1.5
252.11084	0.4
267.19565	0.9
276.13388	0.6
277.15018	0.3
294.24280	1.4
312.25317	13.8
313.25479	0.4
328.25000	0.5
330.26358	82.9
331.26718	2.3
340.16644	0.4
348.60580	0.3
379.19632	0.4
409.09012	0.6
474.30869	0.6
492.31696	100.0
493.25659	0.5
493.32086	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	493.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08243	0.4
57.19365	0.4
60.96938	0.3
62.09402	0.3
62.98255	6.9
67.05521	0.4
69.07057	0.5
71.21255	0.6
73.98151	0.3
82.16165	0.3
83.08590	0.4
98.98454	0.5
124.93771	26.6
130.39479	0.4
151.07529	0.6
152.07959	0.6
155.01015	0.6
156.96378	40.3
174.97408	0.5
191.00858	0.7
198.97365	0.5
212.99017	3.4
325.21170	1.2
339.29108	1.1
357.35968	0.3
394.88071	0.4
453.57233	0.3
461.20401	11.2
462.20587	0.6
480.36234	0.4
493.23007	100.0
494.23318	2.9
516.38043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88828	0.9
62.98255	6.9
64.17560	1.1
67.05533	1.3
70.52654	1.7
81.07056	1.4
83.08597	1.3
104.99268	1.3
120.12195	1.1
124.93771	25.8
142.66423	1.0
142.94897	1.2
156.96385	41.5
198.97539	1.3
212.99028	3.6
214.41283	1.0
229.97859	1.2
276.96976	1.1
339.29019	1.4
461.20435	10.4
493.23026	100.0
494.23474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
67.05539	1.6
69.07095	1.0
69.87293	1.6
70.06605	0.5
79.05521	1.5
81.07085	2.4
91.05506	1.4
93.07061	1.0
95.04978	0.7
95.08628	1.2
97.02899	0.6
105.07070	1.8
107.08643	1.1
109.10151	1.0
119.08643	1.4
121.10206	0.7
129.06999	0.7
131.08612	1.3
133.10121	0.9
143.08604	1.1
145.10144	1.3
151.07538	1.3
157.10126	0.8
165.09187	1.5
173.13350	0.6
185.04315	1.6
185.09682	0.6
208.18671	0.6
331.18802	100.0
332.19080	3.1
367.24387	1.1
367.34439	0.5
457.25589	1.0
475.26663	2.0
483.37793	0.6
493.23920	91.1
494.24460	2.9
494.30612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
67.05484	0.7
69.76548	1.3
81.07035	0.7
83.14996	0.4
91.05414	0.4
93.07020	0.3
107.08585	0.6
109.10191	0.5
120.62618	0.4
132.68425	0.4
151.07520	0.5
173.58319	0.3
312.32681	0.5
331.18777	100.0
332.19208	3.2
425.98981	0.4
475.31326	0.5
492.39203	0.7
493.24048	89.1
494.24142	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	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.23302	0.1
55.05515	3.5
56.05026	0.3
57.05807	0.3
58.06361	0.2
67.05515	0.2
69.26849	0.7
71.10479	0.1
72.08155	47.0
73.08488	0.4
77.13889	0.1
86.09695	0.3
91.05485	0.6
93.07055	0.8
95.05023	0.1
100.07600	0.2
103.05469	2.3
104.10736	0.6
105.07028	0.1
117.06989	0.3
118.06545	0.2
120.08105	100.0
121.08434	1.4
126.12782	0.4
130.06519	0.3
131.41577	0.1
142.34576	0.1
151.07489	0.2
171.14923	7.2
174.12787	2.8
175.13121	0.2
184.07298	0.5
199.14421	6.2
219.14928	17.3
220.15129	0.4
222.12794	0.7
229.13214	0.2
247.14417	18.3
248.14706	0.4
267.14914	8.3
268.15268	0.3
273.19659	1.1
295.14407	10.8
296.14630	0.4
301.15964	0.3
301.19113	3.4
321.19604	0.9
328.20032	0.2
346.21249	7.2
347.21432	0.4
349.19110	2.2
374.20499	0.2
376.20322	0.2
394.21271	6.6
395.21298	0.3
422.20819	0.4
448.26031	0.7
465.28558	1.4
493.31073	0.5
503.55734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3011
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01855	5.0
55.05508	19.6
67.05502	62.9
69.07063	24.1
70.06561	4.3
71.04986	14.2
71.08632	10.1
71.46278	5.7
71.60150	4.4
79.05500	28.1
81.03419	7.4
81.07059	83.9
83.08619	20.8
84.08121	6.8
85.02930	13.2
85.06533	7.9
86.09703	8.3
91.05478	23.2
93.07032	53.2
95.04957	7.8
95.08595	39.1
97.06543	13.8
97.10107	4.9
99.08092	10.4
105.07047	16.4
105.44391	5.0
107.08588	35.9
107.12843	4.5
109.06574	5.1
109.10174	13.5
111.08063	7.8
117.07036	9.9
119.08562	10.4
120.08166	4.6
121.10165	21.9
123.04486	7.8
123.08069	7.1
123.11768	5.3
125.06075	5.2
127.03949	5.8
129.07019	6.9
131.08566	12.9
133.10146	22.5
135.08011	5.8
135.11714	17.0
145.04990	5.0
145.80310	5.4
147.11694	12.1
149.09607	5.8
149.13304	34.1
151.07594	8.8
151.11272	5.0
159.11725	19.0
161.13295	8.2
165.09132	17.0
165.12650	5.4
176.92358	4.9
177.12733	13.4
195.13799	100.0
213.14842	65.3
236.85077	5.5
277.21585	32.5
295.22690	30.3
331.22562	6.5
421.98135	5.4
493.21509	51.0
493.28345	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	493.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57674	1.3
55.05519	5.2
55.17678	1.5
57.03440	4.0
57.07079	47.7
59.92530	1.6
66.11714	1.8
67.05506	13.6
69.07072	9.0
71.08630	34.8
71.46785	1.8
72.33296	1.5
74.16570	1.4
75.14145	1.5
81.07059	21.7
83.08626	14.4
85.10181	16.8
93.07055	2.5
95.08609	31.5
97.10178	6.1
99.11746	1.6
105.07052	1.7
109.10161	14.5
111.11766	2.2
121.10055	1.7
123.11742	5.3
124.93777	6.1
125.13310	1.9
131.16020	1.6
135.11897	1.7
137.13284	3.6
151.07581	2.8
156.96449	9.0
212.99158	1.8
239.23709	39.4
257.24850	4.8
296.03690	1.6
298.27386	1.8
313.27365	100.0
314.27759	2.4
331.28552	4.0
461.20474	4.6
493.22995	26.7
494.23245	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29455	1.6
69.03430	5.6
70.06584	2.7
73.02917	5.4
84.08141	2.0
85.02905	7.9
87.04479	2.4
91.05495	2.0
95.04948	2.2
97.02895	5.9
102.89366	1.6
103.05465	53.5
113.02317	3.9
115.03928	4.3
117.60725	1.5
119.04907	1.6
123.04420	1.7
127.03934	4.5
129.02620	1.5
131.04926	81.2
133.04980	4.4
133.06493	6.1
137.05951	3.2
145.04958	1.8
147.04436	3.1
149.05974	100.0
150.06303	2.6
165.05475	6.8
166.05823	1.5
183.10156	1.8
251.41039	1.7
297.20959	1.6
360.18741	2.0
386.31812	1.9
494.29291	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	494.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40221	2.6
53.03947	3.0
55.05506	9.1
57.03427	4.9
57.07076	3.6
67.05497	8.5
68.05008	2.6
69.03427	19.1
69.07057	8.2
70.06580	9.2
71.04987	6.3
71.44846	2.9
72.08151	4.1
73.02906	3.8
76.64652	2.7
79.05487	8.0
81.03414	12.8
81.07056	10.7
83.31059	2.7
84.08132	6.6
85.02908	64.2
86.09678	7.2
87.04482	2.9
91.05476	31.0
91.09115	3.0
92.81323	3.2
93.07045	63.5
95.04984	8.2
95.08622	7.9
96.08141	4.2
97.02876	30.2
98.09689	3.0
99.04452	35.1
103.03946	63.5
105.04498	3.7
105.07018	16.1
107.04981	3.8
107.08594	90.9
109.02878	16.8
109.06506	3.8
109.10172	4.6
110.09669	4.7
111.04456	3.2
115.03897	2.8
117.07030	3.1
119.08537	3.2
120.08099	6.8
121.10179	4.9
122.29562	2.8
123.04427	5.4
127.03914	74.8
127.09949	5.6
128.48058	3.1
131.08556	4.8
132.01080	3.2
133.10133	21.3
134.10452	5.6
135.11687	100.0
145.04959	52.5
153.12614	3.0
163.06010	26.9
177.05550	3.4
187.05980	5.7
224.20216	4.0
253.07500	3.0
271.08096	3.8
284.30792	2.8
289.09335	4.8
296.23706	6.6
297.16849	3.1
307.10110	5.1
314.24722	33.7
317.05930	4.9
321.17017	4.3
330.24292	11.8
331.08130	4.7
332.08487	8.5
348.25354	36.3
419.02151	3.1
494.06683	3.7
494.24338	11.2
494.31091	79.3
495.06625	5.5
495.17279	3.4
495.24911	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	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
60.08173	5.1
69.07054	1.1
71.07356	1.7
86.09707	27.3
98.98456	2.8
104.10741	3.8
118.71236	0.6
125.00006	20.0
138.05379	0.7
149.02325	1.1
149.55499	0.7
164.86215	0.7
181.08344	0.6
184.07343	100.0
185.07634	0.6
193.04924	1.3
207.44101	0.8
218.13383	0.7
219.93958	0.7
265.62912	0.6
267.74768	0.6
325.47931	0.6
348.82211	0.6
476.31253	1.1
494.32687	3.0
495.31927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38614	0.3
55.05511	2.2
56.05027	1.3
57.03436	0.6
57.07087	0.7
58.06569	1.5
59.07397	0.5
60.08162	17.3
61.67987	0.3
67.05501	1.2
69.07069	1.9
70.06599	0.4
70.25839	0.5
70.26159	0.3
71.07373	6.4
71.08601	0.4
79.05483	0.7
80.12640	0.3
81.07056	1.7
82.10022	0.3
83.08634	1.5
86.09702	51.8
91.75154	0.4
93.07034	1.0
93.18424	0.3
95.08613	1.3
97.10162	0.7
98.22703	0.3
98.98462	3.4
104.10739	100.0
105.11096	1.0
107.08594	0.6
121.10152	0.4
124.99998	28.2
135.11694	0.4
135.23985	0.3
149.02428	0.4
151.07513	0.4
163.01587	0.8
181.02602	0.4
184.07335	100.0
185.07642	0.9
193.05045	0.4
200.20135	0.5
204.28168	0.4
258.11008	1.3
309.04605	0.3
311.25882	1.3
417.23602	0.5
476.31345	8.5
477.31592	0.5
494.32364	34.2
495.32742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05504	1.8
56.05042	1.2
57.03423	0.4
57.07067	0.5
58.06572	1.4
60.08165	17.0
67.05511	1.6
69.07072	1.9
69.75004	0.5
69.75401	0.6
71.07370	6.1
71.08640	0.3
76.69056	0.2
79.05500	0.8
81.07039	1.7
83.08611	1.5
85.80235	0.2
86.09705	47.0
93.07056	1.0
95.08606	1.0
97.06535	0.3
97.10177	0.7
98.98464	3.6
100.29068	0.3
104.10741	100.0
105.11050	0.3
107.08588	0.7
109.10179	0.6
111.08079	0.8
121.10165	0.8
125.00002	27.9
135.11694	0.6
155.37978	0.3
163.01605	0.7
174.83978	0.3
181.02672	0.6
184.07339	98.2
185.07692	0.7
253.99443	0.3
258.11032	1.4
311.25739	1.2
476.31360	7.5
494.32385	34.0
495.32712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
56.05027	1.3
57.03424	0.5
57.07074	0.5
58.06605	1.5
59.07375	0.6
60.08162	18.9
64.44415	0.4
67.05499	1.7
69.07054	1.9
69.72112	1.2
71.07017	0.6
71.07376	6.7
71.08605	0.4
73.70042	0.4
79.05492	1.2
81.07057	2.5
83.08615	1.4
86.09702	48.0
88.94463	0.5
91.05453	0.5
93.07039	1.3
95.08609	1.4
97.10162	0.8
98.98455	4.1
100.59797	0.4
103.70841	0.4
104.10741	100.0
105.11076	0.8
107.08624	0.4
111.08070	0.8
121.10125	1.1
125.00003	26.7
135.11693	1.0
149.02347	0.6
184.07336	96.0
185.07684	0.8
188.35121	0.4
192.13020	0.5
258.11023	0.9
311.25815	1.6
312.64352	0.4
337.27017	0.5
413.16183	0.5
443.29150	0.4
476.31339	9.1
494.32401	33.1
495.32703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11204	0.7
53.03946	1.7
54.04997	0.6
55.01870	2.1
55.05508	6.3
57.03442	3.5
57.07075	1.8
58.06606	2.3
59.04960	0.6
60.04525	0.9
61.02924	4.3
65.12940	0.6
65.21827	0.6
67.05506	5.6
69.03432	13.3
69.07069	8.4
70.05899	1.9
70.06581	3.5
71.05000	1.3
73.02926	2.5
79.05487	1.5
81.03418	6.4
81.07052	8.8
81.07498	0.8
83.01348	0.7
83.08621	4.4
84.04536	0.8
84.08158	1.6
85.02908	26.8
85.06557	1.5
86.06068	0.6
86.09724	3.7
87.04478	2.7
90.13173	0.6
91.03976	1.1
91.05490	1.4
93.07043	1.6
95.08612	10.6
97.02892	11.0
97.06519	0.7
97.10166	3.6
98.09701	0.7
99.04440	3.4
101.02365	0.8
103.03960	2.1
105.07018	0.8
107.04953	1.0
107.08622	1.2
109.02879	3.6
109.06530	0.7
109.10150	4.7
111.11726	1.7
113.09615	0.6
115.03944	1.1
119.08587	0.9
121.10157	2.2
123.11710	1.3
127.03910	7.3
135.11731	2.4
137.13272	1.2
145.05003	4.0
146.11848	1.2
149.13313	1.3
151.07545	1.3
151.14763	0.6
153.12823	1.2
163.06062	1.7
251.91699	0.7
252.26866	31.9
253.27347	1.1
268.26361	31.8
269.24695	1.2
270.27850	1.1
278.24890	3.8
296.25787	4.7
297.17172	1.2
314.26996	33.0
332.28070	60.6
333.28278	1.1
356.27740	1.5
374.29321	1.0
458.31155	1.8
476.32175	6.8
494.33276	100.0
495.33893	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	494.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11204	0.7
53.03946	1.7
54.04997	0.6
55.01870	2.1
55.05508	6.3
57.03442	3.5
57.07075	1.8
58.06606	2.3
59.04960	0.6
60.04525	0.9
61.02924	4.3
65.12940	0.6
65.21827	0.6
67.05506	5.6
69.03432	13.3
69.07069	8.4
70.05899	1.9
70.06581	3.5
71.05000	1.3
73.02926	2.5
79.05487	1.5
81.03418	6.4
81.07052	8.8
81.07498	0.8
83.01348	0.7
83.08621	4.4
84.04536	0.8
84.08158	1.6
85.02908	26.8
85.06557	1.5
86.06068	0.6
86.09724	3.7
87.04478	2.7
90.13173	0.6
91.03976	1.1
91.05490	1.4
93.07043	1.6
95.08612	10.6
97.02892	11.0
97.06519	0.7
97.10166	3.6
98.09701	0.7
99.04440	3.4
101.02365	0.8
103.03960	2.1
105.07018	0.8
107.04953	1.0
107.08622	1.2
109.02879	3.6
109.06530	0.7
109.10150	4.7
111.11726	1.7
113.09615	0.6
115.03944	1.1
119.08587	0.9
121.10157	2.2
123.11710	1.3
127.03910	7.3
135.11731	2.4
137.13272	1.2
145.05003	4.0
146.11848	1.2
149.13313	1.3
151.07545	1.3
151.14763	0.6
153.12823	1.2
163.06062	1.7
251.91699	0.7
252.26866	31.9
253.27347	1.1
268.26361	31.8
269.24695	1.2
270.27850	1.1
278.24890	3.8
296.25787	4.7
297.17172	1.2
314.26996	33.0
332.28070	60.6
333.28278	1.1
356.27740	1.5
374.29321	1.0
458.31155	1.8
476.32175	6.8
494.33276	100.0
495.33893	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2357
Annotation	Scortechinone E
Peak:m/z	Relative Intensity
55.89806	1.2
56.96539	2.6
67.05485	1.9
69.75757	5.1
76.25259	1.3
78.61804	1.2
79.05513	1.8
81.07042	2.0
84.49966	1.5
95.08603	1.3
98.22717	1.7
100.75415	1.4
109.10204	1.5
110.05830	1.4
110.97559	1.4
121.58035	1.2
148.22636	1.4
150.04562	1.6
168.51978	1.2
175.57172	1.4
201.37375	1.6
300.29248	1.4
315.16336	3.6
333.17419	12.8
351.18451	5.7
407.23734	2.0
488.06149	1.4
494.40543	1.7
495.23520	100.0
496.23706	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	495.2567
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
50.88655	0.6
67.05492	1.1
69.03418	0.7
69.07063	0.8
69.69211	2.3
80.21605	0.7
81.07056	2.3
91.05501	0.8
93.07067	1.3
95.08623	1.3
107.08578	1.2
109.10160	0.7
133.10152	0.7
164.92099	1.3
179.26312	0.7
203.05330	1.4
208.84286	0.8
285.10196	1.8
303.11160	1.7
315.19376	2.2
333.20346	71.2
334.20789	2.0
451.95554	0.6
461.74142	0.7
495.25623	100.0
496.25906	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	495.2567
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
51.96132	0.7
52.13541	0.7
55.51037	0.7
56.60249	0.6
58.43921	0.6
67.33443	0.7
70.72184	0.8
83.17955	0.8
105.07054	0.7
185.04219	1.8
200.35890	0.7
211.57713	0.7
247.13135	2.5
315.19360	3.2
333.20346	90.6
334.20691	1.9
360.60791	0.8
372.59021	0.8
439.46677	0.7
468.44528	0.7
495.25647	100.0
496.26004	5.4
497.93152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37511	0.4
70.51691	0.5
70.52018	0.6
81.07036	0.4
86.09643	0.4
185.04172	1.0
235.13203	0.5
260.52356	0.4
333.20346	97.7
334.20743	2.7
482.07339	0.4
495.25647	100.0
496.25876	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	495.2568
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
69.72263	0.3
69.72594	1.0
76.95747	0.3
97.48812	0.3
135.13144	0.3
140.61847	0.3
185.04221	1.9
217.05475	0.3
263.12558	0.7
333.20352	93.1
334.20712	2.9
440.19287	0.4
469.45334	0.3
495.25662	100.0
496.26016	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	495.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74979	0.6
57.03417	0.7
67.03203	0.6
69.67566	2.4
79.05486	0.8
81.07087	0.7
93.07039	0.7
94.74678	0.6
107.08585	0.8
185.04153	0.9
195.17427	0.7
195.79851	0.6
300.46686	0.7
333.20358	75.3
334.20743	2.0
441.79642	0.7
495.25644	100.0
496.25925	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	496.2446
Annotation	Spirotryprostatin C
Peak:m/z	Relative Intensity
54.80653	0.4
55.01876	0.6
55.05509	2.0
56.05024	0.7
58.06593	1.7
69.03428	0.5
69.49483	1.5
70.06586	2.5
72.08164	5.0
84.04523	0.4
84.08145	3.0
85.02905	2.4
86.09724	2.1
87.10044	0.4
90.05865	0.4
90.19545	0.4
91.05479	0.8
97.02901	0.5
97.64660	0.5
98.06053	5.1
98.09699	0.6
99.04483	1.0
101.07164	0.6
103.03919	2.5
109.02830	0.4
110.07211	0.5
110.09669	0.6
112.11252	1.2
113.07106	2.5
114.84913	0.5
115.05499	0.5
119.04964	0.8
120.08134	0.9
127.03907	2.3
127.08701	1.4
128.10757	0.4
137.05986	5.6
143.04980	0.6
144.03569	0.5
145.02962	0.4
145.04968	1.9
145.06474	0.5
147.04424	0.9
149.05974	1.1
150.06792	0.5
151.03954	0.9
153.10234	0.5
155.11792	11.9
158.03696	0.6
158.96616	0.4
161.05972	0.8
163.06038	2.2
164.36130	0.5
172.14447	3.1
173.06027	1.5
175.03867	1.3
175.07561	0.7
177.05457	0.8
179.08635	0.5
186.03149	2.9
194.07292	0.7
198.12372	2.1
201.05479	7.3
203.06950	0.7
204.05917	0.6
205.06520	4.0
206.07219	0.8
206.11725	0.6
219.08119	0.8
221.05997	0.9
222.06677	2.2
227.06958	0.5
233.05997	6.2
234.06784	1.0
235.07645	1.2
237.09090	4.0
239.07057	0.6
247.07573	1.5
249.05476	0.6
250.06277	3.3
251.06931	1.0
261.05484	0.8
263.06989	1.2
264.07779	2.8
265.08627	9.0
266.09338	0.9
267.06467	1.3
267.10361	0.8
277.05017	0.7
278.05676	2.5
279.10236	1.0
280.07294	0.6
281.08102	0.5
282.08911	2.7
292.07285	8.4
293.04678	0.9
293.08041	10.6
295.06161	0.8
295.09509	0.7
297.11264	1.8
307.09668	16.2
308.06790	4.5
308.09866	0.8
309.07211	0.4
310.08353	1.1
319.05954	0.7
323.09283	1.7
325.10709	11.4
350.09821	0.6
351.08636	4.4
366.13351	0.9
382.16495	11.4
408.14404	3.7
425.18115	0.8
478.23721	0.7
479.21930	1.4
496.24408	100.0
497.24731	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	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74140	1.6
53.03936	2.7
53.05189	1.4
55.05508	2.8
57.03432	3.0
57.07074	2.2
57.28745	1.4
61.02915	6.9
61.76030	1.4
67.05486	4.3
69.03442	9.7
69.07069	5.9
69.55466	6.9
69.62733	1.7
70.06593	3.1
71.04979	3.1
72.08169	1.5
73.02908	3.4
79.05495	8.4
81.03416	6.3
81.07056	100.0
83.96206	1.5
85.02901	83.3
88.48681	2.0
91.03929	3.2
91.05479	3.5
93.07059	1.9
95.08605	21.0
97.02894	17.4
98.09696	2.4
99.04467	9.9
103.03934	13.7
105.07006	2.9
107.08569	2.4
109.02859	9.2
109.10123	3.4
125.75778	1.7
127.03899	30.3
131.08575	4.1
133.10260	1.8
137.13243	24.8
137.81129	1.5
145.04955	63.6
163.06023	32.9
175.77980	1.8
289.09158	1.9
300.14188	2.2
307.10141	2.1
312.92767	1.9
316.26620	3.6
320.10648	1.6
325.11249	6.0
334.27472	9.1
371.12418	2.7
398.21555	4.6
403.41214	1.9
428.16565	1.6
463.10101	1.6
496.25101	18.0
496.32523	15.4
497.25018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20229	0.4
53.03940	3.2
55.01865	0.7
55.05511	1.3
57.03438	0.8
57.07088	0.5
59.05001	1.1
61.02925	1.8
64.67972	0.4
67.05494	0.6
69.03432	11.4
69.07070	3.1
69.27540	1.0
69.27943	2.1
70.06585	0.8
71.05003	3.7
71.08631	27.1
73.02921	1.9
79.05486	0.4
81.03416	13.8
81.07050	1.4
83.04971	0.6
85.02904	73.6
86.09699	0.5
95.04947	0.7
95.08639	0.8
97.02891	19.4
99.04456	42.6
99.07146	0.6
99.08093	45.7
103.03941	100.0
104.04253	0.5
104.13396	0.4
109.02879	14.2
115.03953	0.9
127.03914	97.7
128.04239	0.9
128.36429	0.4
129.12755	6.0
131.08679	0.5
133.04916	0.6
142.64163	0.4
145.04955	59.5
155.08536	1.6
155.14302	1.5
163.06017	70.6
169.04890	0.9
173.15375	24.1
187.06026	4.9
205.07050	5.5
253.06969	0.7
259.78714	0.4
271.08136	4.2
274.97327	0.7
289.09152	4.2
307.10220	18.1
321.84238	0.5
334.27371	0.6
366.15347	0.5
496.24887	0.8
496.33279	0.7
497.26392	0.5
511.63211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88201	1.1
51.21895	1.0
53.03967	2.3
57.03425	2.3
60.34433	1.2
67.05506	1.3
69.03435	11.3
69.07072	2.8
71.04978	3.6
71.08627	22.6
72.08162	1.3
73.02921	2.0
81.03420	9.3
81.07039	3.6
83.94363	1.1
85.02905	69.9
86.09681	2.8
87.65339	1.1
91.05486	1.3
93.07009	1.2
95.08570	2.2
97.02898	18.9
99.04454	35.4
99.08093	43.4
103.03943	100.0
105.07079	1.9
109.02881	14.4
117.07115	1.3
120.08055	2.0
123.94685	1.3
127.03913	96.0
128.04337	1.0
129.12723	3.0
129.56622	1.3
131.08585	1.3
143.43629	1.3
145.04958	63.1
155.14305	2.0
161.28142	1.2
163.06017	68.7
173.15372	22.1
187.06021	2.5
199.04506	1.1
205.07074	4.5
208.28943	1.3
243.78398	1.4
271.08145	4.2
281.24454	1.5
289.09122	4.5
307.10220	17.4
334.27277	4.7
353.22433	3.1
371.12247	2.4
427.16864	1.3
452.25613	4.3
478.26721	3.3
496.28030	43.3
497.28088	1.6
513.99603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.05022	1.2
57.03430	3.9
58.06593	3.9
61.02918	1.3
67.05507	1.4
67.08540	0.9
70.06573	1.8
71.07366	1.0
71.14795	1.0
72.08166	1.3
73.02926	7.3
80.47758	0.8
81.07076	1.7
84.08149	5.2
85.02910	1.7
88.57906	0.9
95.08604	1.0
96.08133	2.0
99.02029	0.9
99.83157	1.0
108.08199	1.4
109.10178	1.0
110.09669	9.6
111.10496	2.7
112.11196	1.0
115.05870	0.9
123.04431	10.8
124.11239	2.1
128.10713	41.6
174.27692	0.9
208.20563	1.1
222.22137	7.8
272.33395	0.9
274.94391	0.9
274.97476	1.8
292.98340	1.3
315.18420	0.9
338.96942	3.4
346.27423	18.3
364.28476	18.7
396.39188	1.0
478.31717	10.8
496.32773	100.0
497.33154	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	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05503	0.4
56.05027	1.2
57.03426	0.4
57.07068	3.1
58.06583	1.5
60.08161	17.7
67.05513	0.4
69.07053	0.3
69.37339	1.4
70.72536	0.3
71.06974	0.4
71.07372	6.8
71.08630	2.2
77.23288	0.3
81.07062	0.6
83.08633	0.8
85.10172	1.1
86.09702	48.7
87.10050	0.4
95.08594	0.9
98.98460	2.7
104.10737	100.0
105.11061	0.9
109.10174	0.5
124.99996	27.2
128.29228	0.3
130.22784	0.3
163.01566	0.6
181.02692	0.3
184.07332	95.1
185.07716	0.7
258.11035	1.3
313.27344	2.0
385.75583	0.3
419.25516	0.4
478.32904	8.0
479.33224	0.4
480.01990	0.3
496.33960	33.7
497.34341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
56.05052	0.5
57.03433	0.2
57.07069	0.6
58.06622	0.6
59.07383	0.2
60.08162	5.8
67.05487	0.2
69.07054	0.2
69.76325	0.3
71.07376	2.5
71.08620	0.3
77.45279	0.1
81.07027	0.3
85.10172	0.2
86.09705	27.8
87.10029	0.2
95.08591	0.2
98.98461	2.8
103.65723	0.1
104.10743	3.1
104.11449	0.2
109.10121	0.2
125.00003	19.2
143.01016	0.1
153.76080	0.1
180.09106	0.1
184.07338	100.0
185.07651	0.7
258.10907	0.1
311.51846	0.1
313.27365	0.3
350.53909	0.1
425.42453	0.1
465.84366	0.1
478.32947	1.2
496.33936	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	497.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06083	0.8
60.09548	0.9
63.75784	0.8
68.88619	0.8
68.95296	1.0
69.98317	1.9
69.98634	1.1
70.06595	1.4
71.71645	0.9
77.38754	0.9
86.09766	1.0
98.22830	1.4
98.97588	2.4
103.05470	30.3
110.07185	1.1
116.98683	1.3
131.04929	62.0
132.05321	1.4
163.07529	6.9
185.05685	5.9
274.97589	3.1
275.07233	1.9
292.98663	1.8
333.07910	15.2
335.09470	25.5
335.24088	1.3
338.96915	3.4
355.98459	0.9
432.96454	1.8
497.16293	100.0
497.29050	3.7
498.16675	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	497.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
57.03423	1.6
57.07049	1.3
59.04998	1.5
61.02902	1.7
67.05497	2.2
69.03419	4.8
69.07064	6.4
69.37512	4.0
69.37926	2.0
70.06585	2.7
71.05013	1.2
71.08633	59.2
72.08113	1.1
75.59174	1.0
79.05480	1.3
81.03413	3.3
81.07055	3.9
84.08134	1.4
84.82350	1.0
85.02900	26.1
85.06546	1.3
86.09688	1.9
91.03954	1.5
93.07031	1.1
97.02899	6.1
98.22726	2.3
99.04454	1.8
99.08092	100.0
103.03959	1.2
107.08601	1.5
109.02876	1.6
109.06489	1.1
117.03356	1.4
118.97411	1.3
127.03896	7.2
129.12746	12.2
133.10129	1.5
139.82726	1.1
145.02834	2.6
145.04965	15.0
155.14299	1.8
163.06047	5.8
173.15375	46.1
177.05478	5.4
234.11227	1.1
270.13281	1.2
357.95331	1.3
392.84818	1.5
497.20392	1.1
497.27380	17.3
498.25763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2723
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
71.46501	0.4
72.02925	0.4
77.86075	0.4
87.15029	0.4
111.07975	0.4
116.98611	0.4
162.94124	0.3
185.04190	1.7
274.97446	1.1
292.98712	0.4
335.21896	85.0
336.22183	1.5
338.96637	0.8
355.94727	0.4
497.27191	100.0
498.27667	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	497.2725
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
63.08137	0.4
69.59072	1.3
117.13465	0.4
151.07257	0.5
180.27690	0.4
182.75108	0.4
185.04144	1.3
187.05513	0.5
239.95906	0.5
274.97385	0.6
296.72760	0.4
335.21912	91.1
336.22290	2.1
407.62036	0.5
497.27203	100.0
498.27502	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	497.2725
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
51.59787	0.3
54.40260	0.3
61.79981	0.3
62.05204	0.3
67.05466	0.8
70.06551	0.5
71.94611	0.3
79.05453	0.5
81.06992	0.5
98.97541	0.7
105.07024	0.4
107.08556	0.4
108.75098	0.4
145.02853	0.4
177.05453	0.9
185.04135	1.2
195.09892	0.4
229.70947	0.4
274.97394	1.3
292.98349	0.8
299.71774	0.4
317.20782	2.6
334.20804	0.5
335.21899	79.3
336.22211	2.0
338.96942	1.3
357.83298	0.4
382.77524	0.4
413.23279	0.4
472.89319	0.4
497.27179	100.0
498.27579	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	498.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
58.06594	0.9
67.05494	1.2
69.03438	0.8
69.07052	0.5
69.79500	1.5
70.06609	0.5
72.08149	0.5
81.07037	1.9
83.08639	0.5
85.02912	2.5
89.03922	0.5
91.05481	0.6
93.07040	0.8
94.61474	0.4
94.96760	0.4
95.08574	0.6
97.02879	0.9
98.23474	0.4
105.06994	0.5
108.04243	1.7
111.07982	0.4
115.03925	0.8
117.03399	1.1
118.18996	0.4
123.11712	0.4
127.03913	0.7
128.10707	0.8
133.04955	0.9
138.08879	1.3
141.12753	0.6
145.02850	3.6
145.04927	1.4
149.05957	0.5
154.07800	0.5
169.10085	0.7
177.05475	5.4
177.12752	0.8
196.23692	0.4
198.11255	1.5
220.09448	13.6
234.11279	2.7
236.16205	86.0
237.16490	1.7
238.10498	0.7
243.16035	0.9
269.17520	2.5
285.05722	1.1
301.20328	0.4
305.57355	0.4
312.13583	0.4
318.16595	0.5
336.17816	28.9
337.18024	0.9
398.21423	1.5
400.15662	0.9
465.69254	0.5
498.23004	100.0
499.23096	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	498.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.9
56.29888	0.8
58.06601	14.2
61.85284	1.0
62.06045	0.8
65.87125	0.8
67.05489	2.0
69.03407	1.6
69.07027	1.3
70.06568	3.2
71.04964	1.7
71.08624	1.2
71.46320	1.0
72.08131	3.3
79.05466	2.0
81.03411	1.1
81.07030	3.8
84.08115	1.3
85.02876	2.6
86.06030	3.1
86.09689	1.3
87.84515	0.8
89.03912	1.4
91.05440	1.5
93.07005	1.4
95.08593	1.5
96.08112	0.9
97.02892	1.4
99.08073	1.5
103.03930	1.0
105.07027	1.0
107.08558	1.6
108.08109	1.4
109.06494	2.9
110.09641	2.3
112.11207	1.6
114.09119	0.8
117.03372	5.3
117.06995	1.3
119.08592	0.7
127.03912	1.9
128.10709	14.2
133.04932	0.9
133.10089	1.4
137.05971	1.1
145.01831	1.3
145.02849	16.2
149.05966	1.8
155.08501	1.4
159.09183	1.2
170.11604	1.3
173.15312	2.4
177.05470	22.3
180.10072	1.2
185.04190	0.9
190.08354	1.3
191.14319	1.2
192.14542	1.2
195.06145	1.0
198.09569	1.1
198.11247	18.6
202.08295	1.5
220.09438	100.0
221.09775	1.9
222.62085	0.8
234.11249	8.8
236.14012	1.7
236.16208	27.1
238.10416	2.4
269.17447	4.7
285.05679	2.1
305.18597	1.2
322.20972	1.5
336.17804	36.3
360.51880	0.8
382.14728	71.5
383.14658	2.6
398.21219	3.6
400.15726	4.6
409.10196	0.9
464.79791	0.8
478.48721	1.1
498.22876	92.0
499.23102	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	498.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.5
58.06577	1.7
59.07361	0.8
60.08133	0.7
60.95445	0.4
62.98259	12.2
63.89041	0.4
67.05493	0.6
70.01043	0.4
70.01385	1.0
79.05439	0.4
86.09700	0.8
91.05484	0.6
98.22742	0.5
124.93766	34.1
124.99992	0.6
142.94814	3.2
144.10124	0.5
167.97974	37.3
176.99236	0.5
177.05475	0.8
180.96339	1.2
184.07329	2.6
185.07739	0.8
185.99045	4.3
186.07838	0.5
198.97444	1.4
236.14900	6.3
437.20395	100.0
438.20862	1.7
455.21533	1.7
480.36679	1.1
498.25632	88.1
498.37741	5.8
499.25897	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05031	0.4
57.03423	0.4
58.06601	5.2
69.03423	1.1
69.54376	1.3
70.06592	10.8
72.08154	23.9
80.04915	0.3
81.07050	1.0
82.02924	0.3
84.04507	0.4
84.08142	18.6
85.02885	0.8
85.06643	0.3
86.09710	1.3
87.04474	0.4
89.03897	0.4
91.05484	0.3
95.08604	0.3
97.02911	0.6
98.02409	0.3
98.06057	0.8
98.09682	0.7
103.03992	0.4
109.03990	1.1
110.02404	7.4
110.07152	0.6
110.09683	0.5
112.08727	1.7
112.11243	27.4
113.11571	0.6
115.03948	0.6
117.03384	1.7
118.06892	0.8
120.08106	0.7
129.10265	0.8
129.13882	5.7
133.04942	0.5
133.08890	1.0
134.03592	0.4
137.06081	0.5
137.07094	4.8
138.05495	5.5
140.07074	0.4
145.02852	7.8
145.04715	0.3
146.09618	0.4
146.64085	0.3
149.06001	0.4
151.08676	0.4
152.07069	3.6
155.08148	17.8
157.12285	0.8
169.09752	0.7
169.12265	0.8
177.05461	11.6
177.06950	0.7
181.09735	0.7
187.13245	0.6
209.12834	5.7
217.09732	0.4
218.10536	4.8
225.17027	0.5
226.15512	5.4
233.12839	20.6
234.11250	4.7
234.13411	0.4
237.13425	0.5
262.18002	5.2
304.20193	6.6
304.23428	0.5
305.18646	0.7
310.12506	0.4
322.21243	1.9
336.21887	0.5
368.22681	0.4
379.08374	0.6
383.19586	0.6
409.17584	0.4
410.15509	0.4
427.18634	2.4
438.83063	0.4
498.26074	100.0
499.26346	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	498.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.5
63.02378	0.5
69.86937	0.7
70.06586	0.6
72.08153	6.6
75.09241	0.3
81.04601	0.2
84.08143	0.8
89.03378	0.4
89.03911	6.4
91.05487	0.4
100.11219	0.4
112.11229	2.4
117.03380	22.0
118.03748	0.4
129.13858	1.9
134.03607	1.5
135.04396	1.2
144.04459	0.4
145.02844	69.0
146.03198	0.9
146.16545	1.5
149.05971	7.5
155.11787	1.1
162.03221	0.5
163.03850	0.4
172.14476	0.5
176.07040	0.5
177.05466	100.0
178.05794	1.0
186.05490	1.2
218.08253	0.3
219.08882	0.5
233.12869	0.8
234.11246	43.7
235.11557	1.0
248.12805	4.3
251.13943	0.5
304.20209	1.0
305.18558	2.5
322.21207	10.0
348.19281	0.6
432.39676	0.3
453.33743	0.3
480.25351	0.5
481.23367	1.0
498.25989	84.1
499.26297	2.8
521.27856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.7
63.34950	0.4
69.11860	2.8
70.06586	1.4
72.07788	0.9
72.08158	11.0
75.09280	0.6
78.15069	0.5
81.07088	0.7
83.05444	0.5
84.08111	0.8
89.03918	8.0
91.05492	0.7
112.11261	4.0
117.03382	24.5
119.05018	0.7
129.13907	4.2
134.03639	1.7
135.04388	1.3
145.02853	78.2
146.03189	1.0
146.16525	3.6
147.04420	1.4
149.05994	7.0
155.11818	2.2
163.03943	0.7
163.36967	0.5
164.41095	0.5
172.14546	0.7
175.03993	0.6
177.05476	100.0
178.05806	1.3
186.05585	0.6
204.10231	0.5
207.06490	0.6
218.10475	0.6
219.08936	0.6
233.12852	0.8
234.11250	36.7
235.11629	0.7
248.12785	3.1
251.13947	1.6
288.74411	0.6
301.16483	0.6
304.20273	0.7
305.18576	4.2
322.21283	18.7
348.19263	1.2
480.24628	0.9
481.23349	1.1
498.26013	98.5
499.26166	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	2.2
58.06600	100.0
63.45330	0.7
70.36012	1.8
73.05302	0.9
88.07643	1.5
92.06525	0.8
94.49593	0.8
97.06528	1.0
98.09766	1.0
108.08129	1.3
110.09692	3.6
112.76362	0.9
118.08698	2.2
120.28783	0.7
128.10721	27.7
145.02878	2.7
146.06075	1.2
159.09216	2.1
167.79358	1.0
177.05466	4.8
188.07060	4.0
205.09734	1.3
215.14175	0.7
234.11362	1.1
287.69989	0.9
307.94971	0.9
498.29730	54.2
499.30099	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	498.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07928	0.1
56.05028	0.9
57.03408	0.1
58.06588	0.3
68.05010	0.4
69.07051	0.3
69.93644	0.4
70.06586	1.0
71.04965	0.3
75.78100	0.1
79.05495	0.4
80.04997	0.2
81.05800	0.2
81.07045	0.6
82.06577	1.7
84.08130	0.4
91.05480	0.2
93.07032	0.7
94.06539	0.4
95.07352	1.0
97.06529	2.8
98.23396	0.2
99.94425	0.1
108.08113	1.4
110.09676	13.3
111.10021	0.2
117.03304	0.2
128.10710	100.0
129.10402	0.1
129.11064	1.1
145.02856	0.4
156.48093	0.1
177.05482	0.7
234.11343	0.4
346.37280	0.1
498.29703	7.3
499.30139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	24.7
55.05511	1.9
61.26477	1.0
67.05502	7.5
67.05799	1.3
68.05024	5.1
69.07071	8.5
69.34206	4.5
70.02957	4.0
70.06595	11.1
71.04996	18.2
75.38722	1.0
79.05497	6.6
80.05007	1.3
81.07062	5.7
82.06585	1.7
84.08144	2.0
86.06068	2.5
91.05487	5.3
93.07041	4.4
94.06566	2.9
95.08607	1.9
96.08143	6.7
97.06528	19.6
98.06049	1.7
98.09692	13.7
105.07036	4.5
106.06557	3.6
107.04936	1.4
107.08579	2.7
108.04486	1.0
108.08129	6.2
109.06477	1.0
109.10158	1.7
117.07034	1.3
119.08585	3.5
122.06034	20.5
122.06851	1.8
124.07595	40.1
126.05539	1.2
131.08594	1.5
133.10164	1.1
134.06044	2.3
136.07579	70.5
140.07063	27.0
145.02861	1.1
145.10091	1.2
148.07587	3.4
148.11220	2.2
149.08333	1.3
150.12750	2.1
152.07056	2.3
153.07841	3.2
176.14360	7.7
177.05476	2.3
193.33638	0.9
194.15425	7.4
204.13832	16.9
206.15436	1.3
211.90437	1.0
222.14891	100.0
223.15295	2.4
224.16490	1.2
234.11259	1.4
240.15909	5.2
244.11642	1.0
262.45111	1.0
309.24332	0.9
398.26840	3.8
452.35214	4.7
480.34732	82.7
481.35089	4.2
498.26294	1.1
498.35895	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	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	38.6
71.08634	23.2
73.06547	10.9
85.10155	20.5
89.06030	100.0
97.10143	6.0
99.11767	4.7
100.06137	3.8
117.09111	6.5
121.55991	4.1
133.08588	60.0
145.02800	3.7
155.17975	4.3
177.05420	6.4
177.11195	21.1
184.07338	5.7
191.22757	3.6
199.20625	5.5
221.13812	4.7
234.11166	4.0
239.14958	4.5
239.17819	3.9
243.23242	11.8
287.25720	6.3
327.20187	16.9
481.37280	17.0
498.26178	5.3
502.38794	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
82.99897	2.5
84.96046	1.0
90.55350	1.0
97.02895	1.1
98.97594	3.3
101.00874	14.3
103.02445	2.9
106.60262	0.9
109.02875	1.3
110.97584	1.2
113.00874	5.4
115.02394	1.5
119.01926	19.7
120.02040	1.3
127.02400	12.9
129.00340	1.1
129.04007	1.9
131.01907	11.6
133.03464	1.6
137.02934	2.0
139.02399	3.5
143.01900	24.1
143.02975	1.6
145.03467	38.6
146.03596	1.3
147.01433	3.4
149.02980	1.3
155.01878	28.1
156.02003	1.2
157.03455	16.8
161.02943	18.9
162.03088	1.1
163.04497	2.6
167.01892	14.1
169.02158	0.9
169.03404	4.4
171.00040	1.3
171.01390	7.0
171.05052	2.9
171.22835	0.8
173.02959	38.0
173.88493	0.9
174.02994	1.5
174.99136	4.1
175.04573	2.1
179.01865	4.7
181.03468	2.1
183.01405	2.1
185.02950	48.7
186.03264	3.3
187.04547	3.6
189.02492	6.7
191.03943	1.2
193.00212	2.3
196.04523	1.0
196.53221	1.1
197.02951	13.6
198.03146	1.2
199.00970	5.2
199.04503	2.5
201.00740	1.3
201.02411	1.5
202.89095	2.2
203.04021	10.1
209.03018	3.2
215.03958	10.5
216.03636	2.5
217.01935	55.5
217.03525	3.5
218.02104	1.9
219.01765	1.9
221.05055	4.8
227.03998	9.6
229.01936	10.3
235.02966	15.7
239.04065	2.2
245.05066	100.0
246.05289	6.8
247.02971	14.1
247.04933	0.8
257.05042	11.3
258.05084	1.2
261.02884	1.3
263.06082	10.5
265.03915	1.3
275.06088	12.6
276.06195	1.2
277.03986	19.3
279.03964	1.4
293.07251	4.1
301.04037	9.9
305.07220	9.6
306.90240	2.4
318.06912	1.4
319.05069	25.2
320.05249	1.2
335.08359	4.4
337.06122	35.7
365.09314	11.6
387.74393	1.0
499.11511	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	499.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	3.7
57.65570	2.0
62.25381	1.8
70.06589	9.9
70.46281	5.0
98.97557	4.2
103.05450	2.1
104.76262	2.2
110.97514	4.4
131.04906	3.3
146.99600	2.7
170.99574	2.6
189.00633	7.2
192.03877	2.6
205.01735	3.5
221.18790	2.1
223.02699	7.7
235.90503	2.3
379.07086	10.3
499.11902	100.0
500.12238	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	499.2155
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
69.07071	0.5
70.06596	1.1
71.44773	0.5
72.08141	0.7
79.05477	0.6
81.07068	0.7
85.31373	0.4
86.09717	0.4
93.07067	0.7
95.08609	0.7
105.07024	0.5
107.08592	0.6
109.10147	0.5
119.08568	0.5
121.10114	0.5
137.96359	0.4
145.02933	0.6
169.10126	2.0
170.10497	1.6
177.05502	1.2
178.05879	0.6
234.11320	0.7
235.11635	0.4
268.33957	0.4
337.16196	2.7
409.25955	0.6
423.27295	0.4
455.22501	0.8
499.21405	100.0
500.21631	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	499.2157
Annotation	Brianodin D
Peak:m/z	Relative Intensity
51.50817	0.7
55.05521	0.6
67.05501	1.0
69.03387	0.7
69.07049	0.8
69.38986	1.3
69.39369	1.3
70.06593	3.4
72.08154	3.2
81.07038	1.3
84.08118	2.1
85.02874	1.8
85.08454	0.7
86.09703	3.1
91.05443	0.9
93.07011	1.7
95.08566	0.8
95.21473	0.6
96.08096	1.8
105.06994	0.8
107.08546	1.3
109.10089	0.7
114.09166	5.0
117.03350	2.3
118.03654	0.8
119.08495	0.8
120.08057	1.8
145.01845	0.8
145.02844	9.8
145.05136	0.7
145.47502	0.7
146.03178	3.9
147.04358	0.9
149.05933	1.3
177.05476	13.5
178.05824	7.5
185.04231	0.9
186.05327	0.7
234.11285	4.3
235.11588	3.3
247.57333	0.5
248.12662	0.7
283.07870	1.2
295.06027	1.1
312.18738	0.6
323.21497	1.2
329.08228	1.1
338.26605	1.3
345.07663	1.9
347.09598	3.2
355.17108	2.0
379.08090	0.7
397.09137	1.0
407.43912	0.8
437.21524	5.5
439.18948	2.8
481.10455	1.0
481.19965	2.6
481.26477	0.7
483.18964	0.7
499.21069	100.0
500.21396	5.2
500.31705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2879
Annotation	beta-D-glucopyranosyl ent-16beta,17-dihydroxykauran-19-oate
Peak:m/z	Relative Intensity
56.17959	0.3
62.58909	0.3
66.74388	0.4
67.05465	0.5
70.06569	0.7
79.05460	0.5
81.07015	1.3
81.80565	0.4
83.90453	0.4
95.08559	0.6
134.02231	0.4
134.67209	0.4
151.36688	0.4
165.14714	0.4
185.04181	1.0
281.46927	0.4
314.35309	0.4
323.44464	0.5
327.34222	0.4
337.23477	86.2
338.23889	2.2
499.28763	100.0
500.29160	2.7
527.19751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01864	7.8
55.05508	31.8
57.03217	3.2
57.03443	34.3
57.07062	7.2
59.04996	3.4
61.02928	63.7
67.05160	5.9
67.05503	91.0
69.03431	46.9
69.07065	39.6
71.01354	7.5
71.04987	5.5
71.08634	6.8
72.63035	3.1
73.02908	26.5
79.05482	33.8
81.03427	28.0
81.07051	100.0
83.05009	7.3
83.08614	24.5
85.02903	54.0
85.06507	3.3
87.04494	5.8
90.44984	3.1
91.03962	31.8
91.05470	22.9
93.07046	37.8
95.04978	9.0
95.08604	86.3
97.02893	52.1
97.06535	7.2
97.10166	13.4
99.04447	12.5
101.02381	11.0
103.03954	6.1
105.07007	20.5
107.04987	5.0
107.08610	19.7
109.02892	12.3
109.06475	4.7
109.10156	32.6
109.37676	3.1
111.08092	3.7
115.03915	5.5
117.07014	7.8
117.87651	3.2
119.08582	17.2
119.12942	3.4
121.10157	18.4
121.61969	2.8
123.11731	15.0
125.13190	3.1
127.03925	23.2
127.07081	3.3
129.05452	8.4
131.08557	12.0
133.10124	15.0
135.11690	9.7
137.13263	4.1
142.26732	3.3
143.08578	4.4
145.04967	8.1
145.10144	5.7
147.11685	14.1
149.13280	7.9
151.11218	4.1
151.14752	3.0
159.11629	5.1
161.09612	5.0
161.13275	9.4
163.14798	4.8
175.14799	4.7
183.06509	3.4
201.07558	6.6
245.22627	8.4
261.22202	3.9
263.23688	22.9
275.23691	4.1
291.23172	3.2
303.23206	7.6
317.24869	4.0
321.24139	4.5
337.27359	92.2
347.25671	4.5
353.24930	3.5
365.26913	5.7
366.61746	3.3
371.25888	7.9
427.28662	3.4
445.29266	4.0
463.30508	7.8
481.31583	8.7
499.32788	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64790	0.8
51.35093	0.6
55.01869	1.7
55.05507	2.5
57.03438	20.1
57.07072	1.5
59.04997	0.9
64.51530	0.7
65.03927	1.1
67.05503	7.7
69.03431	8.3
69.07075	8.7
70.06596	28.6
71.04987	3.1
71.44525	0.7
72.08160	6.5
73.02906	1.7
79.05498	2.4
81.03410	3.0
81.07065	6.1
81.62180	0.7
83.04976	2.0
83.08620	7.0
84.08163	1.8
85.02894	6.2
85.06538	1.9
86.09708	9.2
87.04454	4.2
91.05468	1.6
95.04975	1.4
95.08594	0.9
97.02906	6.8
97.06527	2.0
99.08091	2.6
101.07117	0.9
107.04929	1.1
109.02879	1.1
109.10165	29.4
112.08730	3.5
114.09193	1.2
115.03931	5.3
115.08688	1.1
116.07075	0.9
119.04976	3.9
120.05283	1.3
120.08127	1.0
121.02839	6.1
122.03184	1.4
123.11687	1.0
127.03900	1.7
127.11197	50.7
129.10199	1.7
133.04955	4.7
140.08153	0.7
141.12733	1.3
145.04889	0.9
147.04413	12.6
153.12747	5.9
155.03423	0.9
155.14299	6.2
159.13811	1.4
169.13423	1.3
171.13808	100.0
172.14171	0.8
177.01828	1.3
178.02159	1.1
179.03316	0.8
183.14928	1.2
185.12924	0.7
193.12175	0.9
195.02914	2.1
195.35088	0.7
196.03227	1.3
197.12820	1.1
201.12556	0.8
203.03375	3.2
204.03758	2.8
215.03421	1.4
216.03810	1.3
217.11829	2.8
221.04529	1.2
222.04715	0.9
225.17145	4.2
259.09860	2.0
259.12918	1.3
268.06900	0.8
269.07651	0.8
270.10913	1.0
271.17422	0.8
279.06604	0.8
285.16910	2.2
286.17477	1.9
295.06039	13.7
296.06326	25.0
297.07092	3.1
298.08160	1.1
307.06015	2.1
308.06464	6.9
309.07385	1.6
310.07922	3.0
316.18799	0.9
318.08426	1.3
321.07516	3.2
321.75989	0.7
322.07919	10.0
323.08868	1.8
324.09436	1.9
325.07120	5.9
326.07376	11.2
333.07474	2.2
334.07867	4.9
337.06747	0.8
338.07364	2.1
349.07166	3.5
350.07416	12.6
351.08560	1.1
352.08862	3.0
361.06827	0.9
362.07254	3.9
376.08914	1.3
379.08237	5.3
380.08447	21.6
381.08691	1.1
392.08380	1.8
397.09329	4.9
398.09564	22.8
404.08450	2.4
410.09402	2.5
415.10324	1.3
416.10657	8.9
434.09595	0.9
464.10321	1.9
482.11615	8.5
500.12988	5.9
500.23953	1.2
500.28131	1.8
500.35461	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	500.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.4
58.06599	35.7
67.05499	1.7
67.39111	0.4
69.79701	1.3
70.06595	0.9
72.08156	2.2
73.40495	0.4
79.05482	1.5
81.07047	1.8
83.08633	0.5
84.08157	1.5
91.05457	1.2
93.07046	1.3
95.08604	1.6
96.08167	0.6
98.09711	1.0
98.23431	0.6
100.07610	0.7
105.07013	1.2
108.08127	1.5
110.09663	1.2
117.07001	0.8
118.06540	1.4
119.08559	0.9
121.10149	0.8
122.09678	0.7
123.08046	0.5
126.09123	1.1
130.06525	3.8
132.08087	3.5
135.11774	0.5
136.11229	0.4
142.06532	0.7
144.08092	4.5
144.10202	1.5
146.06006	6.9
159.09172	9.6
160.07639	0.4
170.05997	0.9
188.07063	15.1
205.09712	1.0
232.20720	0.5
234.22151	0.8
243.49713	0.5
252.19556	1.0
260.20102	1.1
270.24359	0.7
277.22717	0.6
278.21188	6.5
295.23788	1.2
296.22183	7.8
313.24786	0.9
314.23239	18.9
315.23410	0.5
379.23853	0.7
420.30743	0.4
438.27194	0.5
454.31018	0.5
462.89212	0.4
464.29108	3.2
482.30103	3.6
500.31171	100.0
501.31570	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	500.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87380	0.5
55.05512	1.5
56.05041	3.0
58.06602	5.2
65.27907	0.5
67.05511	3.0
70.06592	3.3
70.84005	0.8
71.07383	1.6
71.15424	0.5
72.08169	1.9
79.05502	3.4
81.07062	2.0
82.06570	1.7
84.08144	14.6
86.09723	0.6
91.05486	4.5
93.07047	4.0
95.05000	0.8
95.07310	0.6
95.08617	1.3
95.77819	0.5
96.08159	5.3
97.08932	0.6
97.81492	0.6
98.09685	1.3
105.07027	3.9
107.04992	0.6
107.08603	1.0
108.08132	1.1
109.10176	0.8
110.09680	7.7
110.10349	0.7
111.10469	3.5
112.11237	8.5
115.05408	1.0
117.03391	0.5
117.07043	1.6
118.06582	1.5
119.08626	1.7
121.10141	0.6
122.09692	1.5
124.11245	2.2
125.12023	0.8
128.10710	15.8
128.78595	0.5
130.06531	4.3
131.08557	1.2
132.08096	3.5
133.10074	1.1
136.11232	1.0
138.12813	0.6
141.11501	0.9
142.06494	0.5
143.07379	0.5
144.08080	5.5
145.02919	1.2
145.10136	1.3
146.03160	0.5
146.06003	8.6
147.11719	1.1
154.12317	1.6
159.09192	8.4
162.12747	0.7
167.76965	0.5
170.06047	1.7
177.05550	1.4
178.05896	1.6
179.06038	0.6
185.07207	1.1
188.07060	11.9
192.07841	0.6
196.17015	1.0
205.09795	0.8
234.11330	0.8
234.22304	0.6
236.11816	0.5
244.39745	0.5
252.23265	0.8
259.21698	0.8
260.20181	3.6
277.22733	3.5
278.21127	19.7
295.24023	2.1
296.22189	21.4
314.23111	3.8
331.37289	0.5
352.64267	0.6
418.28522	1.1
420.30328	1.1
436.29498	0.9
464.29080	11.8
465.29416	0.9
482.30154	43.3
483.30792	1.7
500.31302	100.0
501.31418	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	500.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
56.05044	1.4
58.06604	6.1
66.54707	0.8
67.05513	3.8
69.07069	1.1
69.16786	5.7
70.06595	2.6
72.08161	2.2
75.12509	0.9
75.20438	0.9
79.05508	3.1
81.07048	2.2
81.95382	0.8
84.08143	14.8
86.09734	1.0
91.05509	1.7
93.07059	4.4
95.05008	0.9
95.08633	1.7
96.08128	1.0
105.07093	1.5
107.08607	1.7
110.09730	2.9
111.10483	1.7
112.11272	1.9
119.08594	1.4
121.10136	1.4
124.11269	2.0
128.10750	3.3
130.06522	2.5
130.89725	0.9
132.08148	1.5
132.80240	0.8
144.08086	4.4
145.02785	1.0
146.06047	4.1
159.09198	4.5
178.05846	1.5
188.07027	6.2
234.22203	2.5
252.23241	1.2
278.21149	8.3
280.22708	1.1
292.22705	2.1
295.23880	2.1
296.22174	26.0
296.25174	1.9
298.23715	1.1
313.24738	0.9
313.95273	0.9
314.23242	12.8
438.31232	1.1
464.29498	1.0
482.30136	16.9
500.31293	100.0
501.31519	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	500.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	25.7
55.05492	2.1
66.91141	2.3
67.05504	9.2
68.05025	2.2
69.03419	2.5
69.07073	10.2
69.88419	6.9
70.02943	3.8
70.06580	13.7
71.04990	18.8
71.08607	2.3
79.05492	8.2
80.04995	2.3
81.07057	7.4
84.08127	2.6
86.06038	2.5
87.66954	1.9
91.05483	5.0
93.07065	4.6
94.06596	3.9
96.08138	5.7
97.06526	22.7
98.06032	2.4
98.09669	14.4
106.06579	6.0
107.08628	3.0
108.04516	2.2
108.08135	5.8
108.81557	2.0
109.10174	2.0
120.08124	4.4
121.10120	2.3
122.06021	18.2
124.07590	43.3
131.08537	2.4
136.07574	88.2
140.07065	30.7
148.07631	3.7
153.07808	4.9
166.14044	2.4
176.14360	7.0
194.15408	8.9
204.13823	16.2
220.27068	1.9
222.14883	100.0
224.16492	4.8
240.15759	4.5
295.40961	2.0
454.37000	3.4
482.36292	96.4
483.36496	4.2
500.37006	3.0
516.46704	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	500.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01619	0.9
55.01876	13.4
55.05503	1.0
61.18892	0.7
66.13393	0.7
67.05513	4.3
68.05020	1.8
69.03452	0.8
69.07081	4.9
70.02960	3.5
70.06593	7.1
71.04995	13.3
79.05482	4.9
80.05032	1.1
81.07066	4.2
82.54724	0.6
84.08125	0.8
86.06068	1.7
91.05488	1.6
93.07033	2.7
94.06573	1.1
95.04939	1.8
95.08599	1.9
96.08142	4.5
96.99409	0.7
97.06536	17.7
98.06067	1.2
98.09697	9.7
98.22621	1.5
105.07013	2.1
106.06538	2.4
107.08598	1.9
108.08125	5.4
109.06491	0.9
109.10174	1.4
112.07599	1.3
117.07005	0.8
119.08554	0.9
120.08096	2.0
121.10155	1.6
122.06036	15.7
122.09683	1.0
124.07594	26.8
134.09639	0.9
135.08035	1.6
136.07581	61.0
140.07065	22.4
148.07596	1.9
148.11136	1.2
150.12837	0.8
152.07059	2.0
152.10701	1.0
153.07837	1.9
158.88855	0.8
176.14308	5.5
181.35097	0.8
186.12796	1.1
194.15413	8.0
204.13832	14.6
222.14893	100.0
223.15138	2.0
223.43906	0.8
240.15964	5.0
266.03226	0.8
283.26538	0.7
466.82877	0.8
482.36313	69.9
483.36380	3.1
500.37054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37094	0.3
52.88419	0.3
53.69297	0.3
53.86149	0.3
55.05523	0.6
56.05030	0.7
56.96568	11.5
60.05642	0.5
63.79901	0.3
68.96574	0.3
69.03453	0.4
69.07091	0.4
70.06592	12.1
71.06917	0.7
72.08157	4.7
74.06073	0.4
81.07066	0.5
84.02696	0.4
84.04517	2.0
84.08145	7.7
84.96046	2.3
86.09709	9.8
93.04436	0.3
95.08585	0.7
97.96802	6.7
97.97424	0.4
98.97585	23.6
101.07127	0.4
102.05550	0.3
107.69009	0.3
110.07175	1.9
110.97565	5.5
112.08746	0.7
112.99128	0.9
115.08669	0.7
115.97832	3.0
116.07088	0.7
116.98615	9.2
116.99395	0.6
123.08098	0.4
124.99120	0.5
126.09188	0.4
127.00675	1.0
127.08689	0.5
128.10678	0.4
128.98610	6.4
129.10243	6.3
130.05042	1.0
130.08766	0.4
131.00200	1.2
133.98851	0.7
134.99658	2.5
136.07587	0.4
140.00171	0.4
140.98604	0.5
141.09117	0.5
143.00188	1.5
143.08159	0.4
143.11760	0.4
144.98131	0.4
145.01744	0.4
146.99660	2.5
147.07668	1.0
152.98587	0.5
154.69801	0.3
155.00195	0.8
156.11374	0.4
156.80528	0.4
157.01805	0.5
157.13432	0.4
158.99641	2.8
161.01268	1.6
170.99686	1.4
175.11925	0.7
177.00729	2.6
177.05496	0.5
183.03348	0.5
185.16483	0.6
186.14957	0.8
187.10909	0.5
189.00714	1.3
191.02417	0.4
193.98854	0.4
197.12868	0.4
199.18010	0.6
201.00784	1.3
205.12283	0.6
209.04887	0.6
219.01761	10.9
219.06750	0.4
221.04857	0.6
223.02950	0.6
223.06435	1.3
231.06958	1.3
231.09688	0.9
233.04889	1.3
235.06499	1.2
237.02789	16.4
237.07903	0.6
238.03113	0.5
241.03847	0.6
241.07462	0.7
242.15047	0.5
243.06908	1.3
245.04749	0.3
246.05806	1.0
247.06529	0.7
249.07950	3.6
251.05949	1.3
253.07507	1.6
255.03868	0.8
255.09164	0.4
260.02042	5.2
260.04495	0.6
260.16165	0.4
261.07999	6.2
263.09589	0.6
264.06775	2.1
265.07281	0.8
267.09067	5.2
268.94904	0.3
271.08429	0.6
275.09668	0.7
277.07397	0.7
278.03033	2.8
278.76605	0.4
279.04080	0.8
279.09064	18.7
280.09375	0.5
281.10480	0.4
285.10135	1.4
285.13135	0.6
287.50806	0.3
293.10675	2.5
295.08493	0.7
297.10089	12.9
302.10718	0.6
303.08966	4.9
315.11230	3.0
316.18637	0.7
321.10080	6.3
321.13586	0.5
333.10052	0.4
339.11322	1.8
363.11310	0.5
381.12241	0.6
398.18289	0.4
423.13434	2.1
441.14331	100.0
442.14722	3.3
459.15543	0.6
500.35675	3.7
501.15982	4.7
501.23004	0.7
501.34811	2.5
502.32574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48465	0.2
69.03444	0.6
69.07053	0.3
70.03764	0.2
70.06592	0.2
72.08139	0.3
72.43343	0.1
81.03412	0.2
81.07059	0.2
82.36257	0.1
84.08124	0.2
85.02909	1.1
86.03214	0.1
86.09711	0.4
87.04469	0.4
93.07049	0.3
93.70760	0.1
95.08604	0.3
97.02883	0.5
105.07033	0.1
107.08597	0.3
109.10152	0.2
110.07224	0.1
115.03929	0.7
116.04256	0.2
119.08562	0.1
121.10144	0.2
127.03991	0.3
133.04953	0.5
133.10135	0.1
134.05318	0.1
137.09537	0.2
143.14328	0.2
145.04980	0.6
146.05263	0.2
163.06030	0.2
185.04276	0.3
195.13620	0.3
269.06461	0.1
269.10693	0.2
284.10712	0.1
285.09610	0.1
287.07547	0.2
329.08395	0.4
347.09479	0.2
349.17523	0.2
357.18820	4.9
367.17935	0.6
383.22147	0.1
387.11017	0.2
399.19675	1.0
439.23029	11.1
440.23196	0.3
441.20944	7.0
456.20551	0.1
483.22083	0.9
501.23038	100.0
502.23370	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	501.231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.3
57.63601	0.2
67.05504	0.5
69.28739	1.5
70.06598	0.4
72.08133	0.3
81.07066	0.4
84.04478	0.3
85.02887	0.3
86.09689	1.9
91.65690	0.3
93.07032	0.3
95.08585	0.3
105.07023	0.3
127.03966	0.3
140.14650	0.3
148.46002	0.3
161.94171	0.3
166.99371	0.2
214.58778	0.3
243.13347	0.3
262.02658	0.4
287.07449	0.3
357.18799	5.6
367.17987	0.4
394.01642	0.3
399.20084	1.5
439.23026	11.9
441.20935	9.2
442.20987	0.4
483.21854	1.3
501.23050	100.0
502.23413	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20695	1.0
81.07053	0.5
91.05525	0.4
93.07041	0.4
94.83260	0.3
95.08644	0.4
97.06550	0.4
98.98481	1.1
107.08649	0.3
109.57035	0.3
110.27261	0.3
110.70298	0.3
119.08646	0.4
123.38457	0.4
133.10162	0.4
135.08044	0.9
135.69734	0.3
179.14098	0.5
214.17967	1.6
215.18434	0.8
329.24628	0.8
403.28400	0.4
445.25665	0.8
501.28232	100.0
502.28650	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	502.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
56.05030	3.1
56.96567	0.3
60.04527	0.4
67.05498	0.9
69.07047	0.4
69.65517	0.5
69.65909	0.7
70.06592	5.5
72.08152	3.7
74.06084	0.6
82.06583	0.4
84.04494	2.3
84.08140	100.0
85.06539	1.1
85.08466	0.4
86.06082	0.3
86.09704	32.3
87.10068	0.3
88.57566	0.3
96.08134	1.7
98.22762	0.7
98.97581	0.6
99.41631	0.3
101.10772	5.0
102.05541	1.4
102.09184	0.3
107.48037	0.3
110.07168	0.5
111.09209	1.1
112.07583	0.9
114.09175	0.7
115.08727	0.4
120.08088	0.6
128.10756	0.4
129.10237	50.8
130.04936	1.7
130.08638	0.4
130.10612	0.6
130.16020	0.4
141.10263	0.8
144.10213	0.9
147.04407	0.4
148.06047	4.1
152.14326	3.1
157.13423	0.5
161.12868	0.4
175.11926	0.4
179.15431	0.8
181.17036	0.5
197.16476	8.9
199.18048	3.2
207.14957	0.6
213.12267	0.4
214.19156	1.1
215.13884	0.9
224.17596	2.9
225.16023	1.4
227.17519	3.3
242.14967	0.3
242.18605	6.2
243.13518	0.4
248.73102	0.3
260.19800	0.3
261.14459	6.5
320.23346	1.0
327.27576	0.9
337.26102	1.6
338.24548	1.2
355.26971	4.5
374.22989	1.4
484.31396	1.5
485.29797	1.3
502.32416	58.6
503.32736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61332	0.3
51.68215	0.3
53.05290	0.4
55.05500	0.5
56.05029	2.0
57.03442	0.6
58.06600	20.8
66.71037	0.4
67.05495	1.7
69.07067	0.8
69.33353	1.4
70.06590	1.1
72.08154	2.9
78.42019	0.3
81.07063	2.4
82.06571	0.3
82.07405	0.3
83.08619	0.4
84.08138	0.7
84.53951	0.3
88.07665	0.3
89.28743	0.3
91.05476	0.5
93.07040	0.9
95.08603	2.0
96.08134	0.7
98.09694	1.0
100.07647	0.7
104.99274	0.5
105.07018	0.7
107.08620	0.5
108.08115	1.0
109.10180	0.4
110.09658	0.8
118.06560	1.6
119.08618	0.3
121.10179	0.4
122.09697	0.5
126.09164	0.5
128.10735	0.6
128.15750	0.3
130.06532	2.3
132.08075	3.0
137.67218	0.3
142.06525	0.4
144.08083	4.3
144.10130	2.0
146.05995	7.8
147.11699	0.4
159.09181	9.6
159.10487	0.7
160.07622	0.3
160.09579	0.4
170.06033	1.3
188.07068	16.2
196.17006	0.8
205.09705	1.6
208.87752	0.3
236.20078	0.7
254.21223	1.2
262.21588	2.0
270.24283	0.5
279.24283	1.0
280.22702	7.7
297.25400	1.7
298.23767	9.6
315.26480	0.9
316.24808	18.2
317.25159	0.4
328.31592	0.3
338.96466	0.3
420.29788	0.5
440.28802	0.7
445.21384	0.3
456.32498	0.5
466.30786	3.3
484.31717	2.9
502.32718	100.0
503.33154	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	502.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
55.05510	13.6
57.03445	8.3
57.07072	6.0
58.78188	1.3
60.08151	1.8
61.02921	4.7
64.43819	1.6
65.03941	2.3
67.05499	62.6
68.89868	1.5
69.03429	3.9
69.07067	16.3
69.98453	1.3
71.01334	1.4
71.04971	2.7
71.08618	4.2
73.02914	46.3
77.03920	2.8
79.05489	41.7
81.07053	68.5
83.04998	1.8
83.08630	8.6
85.02895	2.0
85.06543	2.3
86.09702	8.1
91.05474	24.0
93.07042	54.0
95.05002	3.6
95.08603	66.1
97.02894	1.9
97.06516	3.7
97.10180	6.2
98.23499	5.6
99.08095	3.7
102.09145	1.9
104.10744	32.6
105.04537	2.0
105.07021	19.6
107.08594	37.3
109.10155	32.5
111.08112	3.3
115.03931	5.5
117.07024	10.3
119.08569	18.7
120.96651	7.5
121.10141	40.4
123.11696	18.6
125.09584	1.8
131.00795	2.0
131.08562	22.4
133.10149	13.8
135.11684	34.7
137.13260	5.6
145.10120	18.3
147.11690	12.5
149.01874	1.8
149.13237	24.3
151.14905	2.1
159.11685	16.2
161.01846	6.1
161.13258	13.0
163.14809	18.3
164.00826	5.7
165.12823	2.2
173.13274	16.1
175.14896	3.1
177.16399	6.2
179.02957	3.8
179.14268	3.7
183.20760	1.9
187.14809	8.4
191.02011	1.7
191.14467	2.1
201.16273	2.6
202.04568	1.9
205.15837	2.8
215.17958	2.0
228.23207	2.3
233.22633	5.0
243.21091	37.1
256.26422	3.1
257.26999	2.0
261.22119	100.0
262.22433	2.7
279.23123	2.4
311.25842	2.4
312.26199	2.1
313.26663	4.3
335.25769	16.0
339.28900	3.9
353.26828	35.4
406.15005	1.6
431.27823	2.0
443.27255	12.5
459.24640	6.2
467.29672	3.8
478.25018	1.8
502.28351	2.2
502.34912	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	503.1899
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
54.38165	0.6
55.05504	0.8
56.96556	1.3
66.26144	0.6
67.05501	1.3
69.03428	0.7
69.07069	1.9
70.06591	1.6
79.05504	1.2
81.07050	2.2
84.08173	1.1
85.02904	2.1
85.06559	0.6
86.09718	2.7
93.07063	1.0
93.21833	0.7
95.04983	0.9
95.08598	1.8
98.86709	0.7
98.97610	2.4
101.37374	0.6
105.07009	0.9
109.06557	0.8
109.10155	0.9
111.55295	0.6
112.99140	1.2
119.08552	0.8
125.22865	0.6
131.00165	1.5
131.08652	0.7
149.01247	1.9
155.53716	0.6
158.99768	1.2
159.11736	0.9
167.05646	0.7
173.01245	0.8
177.00688	1.3
199.02824	0.7
217.03766	0.7
235.80576	0.7
241.11162	3.4
259.12161	1.8
285.10098	2.5
322.27377	1.0
341.29050	0.8
367.27853	0.8
459.22211	0.7
502.31964	0.8
503.18652	100.0
503.24808	22.3
503.31763	4.7
504.18793	4.0
504.35260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1899
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
55.05498	1.0
56.96556	2.1
58.06575	0.9
67.05499	1.0
69.03438	0.5
69.07041	0.6
69.70613	1.1
70.06588	1.6
72.08134	0.4
74.96619	0.4
78.21327	0.4
79.05491	0.9
81.07046	1.3
83.04960	0.8
83.08613	0.8
84.04523	0.6
84.08149	0.8
85.02921	1.0
85.06561	0.5
86.09692	0.7
91.05476	0.8
93.07050	1.4
95.08595	1.4
96.08145	1.0
97.02857	0.5
98.22746	0.9
98.97555	2.5
100.11246	0.9
107.08600	1.0
108.03797	0.5
109.06525	0.9
109.10129	0.5
111.08068	0.5
112.99127	1.6
114.09189	2.1
115.09486	0.6
116.98602	0.8
119.08507	0.5
120.08085	0.7
127.00938	0.5
131.00180	2.4
133.10139	0.6
145.10138	0.6
149.01227	2.1
157.10126	0.6
158.99638	1.0
169.62717	0.5
177.00716	1.1
182.15450	0.5
210.14961	0.8
216.12250	0.5
237.18465	0.5
241.11096	3.7
259.12289	2.7
267.09082	0.8
285.10123	1.5
293.05515	0.8
331.92871	0.6
341.12558	0.6
341.29068	0.5
342.30014	0.8
502.33853	0.9
503.18658	100.0
503.24680	6.6
504.19318	3.2
504.35165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03399	0.4
57.38332	0.3
60.34045	0.3
61.02906	0.5
64.23842	0.3
65.03922	0.3
66.04708	0.4
68.43446	0.3
69.03422	1.5
69.34500	1.5
70.06602	0.3
72.02380	0.4
79.05482	1.1
81.03397	0.8
81.07058	0.8
85.02902	5.3
91.05474	3.6
91.05920	0.4
94.04166	2.7
95.04956	0.8
97.02907	1.7
100.78183	0.4
103.05457	1.4
105.07025	5.7
107.04955	0.9
109.02856	0.7
109.06504	1.9
115.05431	2.5
117.07021	1.2
119.04905	0.4
119.08559	1.8
121.06512	0.4
122.03650	6.9
127.03916	0.9
128.06221	1.3
129.07010	2.0
131.04933	1.4
131.08560	0.4
132.05717	1.7
132.19176	0.3
133.06497	4.4
137.05974	100.0
138.06319	1.6
141.06984	0.4
141.97723	0.4
143.04907	0.5
143.06006	0.5
144.05658	0.7
145.04900	0.5
145.06480	1.2
146.03604	0.9
147.04419	1.2
147.08017	2.4
149.05992	1.5
151.07619	0.7
155.04912	1.1
155.06042	0.6
156.05620	0.5
157.06491	0.7
159.08058	2.6
160.05153	1.9
161.05978	13.1
163.05823	0.3
163.07530	0.6
167.06987	0.7
171.08043	0.4
171.73691	0.3
172.05225	1.0
175.07544	27.4
176.07904	0.4
178.07883	0.5
179.07030	1.4
184.05212	0.7
185.05997	0.5
187.07539	9.8
189.07071	0.5
189.09111	0.6
190.07788	2.1
191.08545	7.4
193.10164	0.3
199.07539	7.2
199.09256	0.6
202.07814	2.4
203.08536	3.9
203.98450	0.3
205.06546	0.7
207.08011	0.5
208.08835	1.1
209.88104	0.4
217.08572	0.7
218.07242	2.3
219.06033	0.7
219.08049	11.0
220.08836	2.4
230.07317	0.5
231.08035	5.4
232.08809	1.2
233.05997	0.4
233.09746	0.4
235.07561	0.9
235.10904	0.4
236.08247	1.8
237.09007	0.5
243.08047	0.5
245.09570	0.4
246.06648	0.4
247.07541	4.5
248.08315	3.1
249.08989	0.8
251.10675	13.4
252.11081	0.5
253.08571	0.6
259.07532	3.4
260.08292	1.5
261.09146	0.9
263.06686	0.5
263.10648	3.4
264.07806	1.4
265.08395	0.7
275.07016	0.4
276.07816	1.5
277.08612	1.4
279.07211	0.7
279.10150	12.7
280.10760	1.3
281.08029	1.1
283.13403	0.4
291.06873	0.4
291.10156	8.1
292.10883	2.5
293.08176	0.6
295.09763	0.8
295.13364	1.1
296.10425	1.3
308.10403	0.9
311.12753	30.7
312.13116	1.0
323.12756	13.6
324.13162	0.5
335.13120	0.5
338.96579	0.5
341.13760	1.1
369.49707	0.4
420.97101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11344	0.6
51.11585	0.6
53.03938	1.6
55.01870	1.0
57.03438	1.7
61.02913	2.7
65.82509	0.7
66.04700	0.8
69.03429	6.8
69.98515	0.6
70.06601	0.7
79.05472	1.6
81.03419	2.0
81.07065	1.1
85.02908	16.1
87.04449	0.8
91.03948	0.8
91.05487	2.9
93.49086	0.7
94.04161	3.2
95.04947	0.7
97.02896	5.6
99.04461	1.5
103.05480	3.9
104.06242	0.8
104.99274	1.5
105.04567	0.7
105.07030	2.7
107.04931	1.2
109.02869	1.2
109.06503	2.0
115.05498	3.2
117.06999	2.3
119.08607	2.8
122.03648	7.2
127.03899	3.5
128.06226	2.5
128.10699	1.3
129.07002	2.6
131.04916	5.3
132.05672	1.7
133.06514	2.8
137.05977	100.0
141.07025	1.1
145.04933	1.5
145.06441	1.4
146.03638	1.0
147.04388	1.6
147.08041	4.4
147.17998	0.7
149.05946	1.3
150.50832	0.6
151.07567	0.8
152.04828	0.7
155.57806	0.8
156.05717	0.9
159.08031	2.8
160.05159	2.1
161.05975	11.3
163.07541	7.9
167.05576	0.9
167.07037	1.2
168.05789	0.7
169.06464	1.7
171.07994	1.3
175.07547	41.0
176.07892	0.8
179.07001	1.3
184.05283	1.6
185.06006	0.9
187.07547	8.3
189.07056	0.9
189.09052	1.2
190.07767	2.4
191.08559	5.7
199.07555	13.1
201.09111	1.5
202.07797	3.0
203.08582	6.5
204.09238	0.8
205.06729	0.7
218.07260	2.4
219.08018	8.8
220.08685	1.7
221.05992	0.7
231.08025	8.0
232.08778	1.3
233.09715	0.9
234.06767	0.6
235.07579	1.5
235.11247	0.9
236.08344	2.1
247.07562	4.7
248.08162	3.7
249.09053	0.7
251.10655	10.4
259.07590	4.7
260.08325	1.6
263.08054	0.7
263.10699	4.0
264.07867	1.2
265.08759	0.8
274.97452	0.9
276.07742	1.9
277.08545	2.2
279.10178	11.4
280.10745	0.9
291.10126	11.3
292.10986	3.3
293.08023	0.9
295.13290	1.9
296.10516	1.2
308.10403	1.4
311.12766	23.6
323.12784	18.2
325.14346	2.5
338.96750	1.7
341.14038	0.8
420.97064	1.7
450.64810	0.8
503.32074	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	503.2102
Annotation	LY223982
Peak:m/z	Relative Intensity
55.05500	0.4
58.06621	0.2
68.29304	0.2
69.03426	0.3
69.07059	0.3
69.55429	0.3
69.55740	1.2
70.06573	1.2
72.08160	1.2
73.04472	0.3
80.05796	0.3
81.03474	0.3
81.07095	0.3
83.04966	0.3
84.04524	0.8
84.08144	1.1
85.02908	0.6
86.09705	3.7
91.05460	0.3
93.07028	0.4
97.02905	0.5
103.03928	0.4
105.07021	0.3
107.08612	0.4
109.02885	0.3
124.51570	0.2
124.52618	0.2
127.03934	0.8
128.10696	0.5
129.10257	0.7
133.10153	0.2
135.11719	0.4
137.06055	0.4
144.06543	0.3
145.04990	0.4
159.09271	0.3
163.06020	0.3
179.10741	0.6
197.11746	1.8
201.12267	0.3
203.05275	0.4
219.64848	0.3
229.11783	0.4
259.07904	0.8
267.12024	0.7
275.16232	0.4
277.09573	0.3
295.09677	0.3
340.24838	0.3
341.15723	5.4
341.24811	0.4
389.50565	0.3
400.30719	0.2
503.20978	100.0
504.21353	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.05504	10.2
57.03432	4.7
57.07072	3.2
67.05500	16.1
69.07070	10.5
70.06599	1.9
71.04996	3.6
71.08640	7.2
72.08152	27.7
75.04464	1.9
79.05497	10.4
81.07065	21.4
83.08626	6.3
91.05495	7.4
93.07061	10.9
95.04983	2.4
95.08620	17.2
97.06527	4.7
98.98469	78.2
99.08107	4.9
104.99277	5.3
105.07050	9.6
107.08592	13.0
109.06526	13.9
109.10175	7.2
111.08089	2.9
117.07012	2.6
119.08597	14.4
121.10150	10.5
123.08060	37.2
123.08908	3.0
129.06987	2.0
129.62163	1.6
131.08551	4.7
133.10167	9.1
135.08061	18.7
135.11714	3.3
137.09663	1.9
145.10129	8.1
147.11742	5.9
149.09639	5.3
149.13217	2.7
151.11258	1.7
157.10132	2.4
159.11728	4.9
161.09625	3.4
161.13283	2.9
161.21889	1.5
163.11163	1.9
167.14380	3.5
170.05782	2.0
173.02145	8.9
174.42566	1.6
175.14839	6.1
177.12791	7.0
177.40401	1.9
179.14307	47.7
183.25812	1.6
187.14915	1.7
191.14331	3.7
194.00284	1.7
205.15929	6.8
233.18959	3.5
262.98077	2.7
263.20151	3.0
273.62582	1.7
274.97360	2.2
275.19958	7.9
289.21603	4.9
303.26941	9.1
313.25092	1.8
319.22424	1.8
331.26297	100.0
332.26703	5.7
335.25882	5.4
338.96811	3.2
339.19116	2.4
349.27325	13.3
387.28912	5.1
405.29990	63.6
420.96948	6.1
423.30942	4.1
485.26578	5.4
503.27612	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05517	4.5
55.24076	1.0
58.06593	1.1
59.04983	0.9
60.45024	1.0
67.05505	3.5
67.78206	1.1
69.03429	5.9
69.07059	2.0
70.06593	5.8
71.04969	1.4
71.08640	6.5
72.08146	1.9
72.56648	0.9
79.05506	2.9
81.03410	2.8
81.07062	5.2
81.56556	1.2
83.04985	3.8
84.08124	1.9
85.02917	9.4
86.06072	14.0
86.09732	1.7
91.05468	2.2
93.07049	4.8
95.08607	3.1
96.08150	4.1
97.02898	4.5
98.09682	7.9
99.04481	1.7
99.08092	7.3
101.06056	3.2
105.07014	3.6
107.07341	3.4
107.08599	2.4
108.08137	2.0
109.02895	1.3
109.06444	1.3
110.09684	1.1
111.04455	4.1
112.07628	1.2
115.13982	1.0
116.10738	18.6
119.08559	2.1
120.08103	2.9
121.10143	1.3
123.08109	1.1
124.07593	1.2
127.03888	3.4
129.10223	1.2
133.10199	1.5
137.09560	1.2
142.08635	10.2
142.12236	1.9
143.10680	1.9
145.04982	1.6
145.10120	1.3
147.11617	1.2
155.07057	1.4
162.12791	1.5
164.10706	4.3
173.08144	2.2
178.03232	2.4
180.13806	1.3
182.15459	3.0
184.13371	1.8
184.16927	2.5
190.12306	3.0
198.15010	1.7
203.77711	0.9
208.13284	5.7
214.18019	10.5
226.14384	28.0
244.15446	100.0
261.13232	1.7
282.27771	1.3
306.27933	5.0
324.21832	1.5
324.28836	4.8
342.22931	11.6
342.29919	11.1
383.21475	5.1
385.23138	2.0
388.19669	3.0
403.24146	2.9
406.20694	12.8
504.25165	41.5
504.35120	11.5
505.20044	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	504.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05513	10.5
57.03444	7.5
65.03945	1.6
67.05505	35.9
69.07072	10.9
70.06586	1.8
71.45049	1.3
72.08155	59.9
79.05489	19.8
81.07058	27.2
81.07435	0.7
83.08620	3.1
85.06474	1.2
86.00318	1.0
91.05457	8.5
93.07041	20.3
95.04962	3.3
95.08609	21.6
97.10118	1.2
98.98500	5.3
105.07024	5.7
107.08600	11.0
109.06554	1.3
109.10162	8.2
117.06993	1.6
119.08593	4.8
121.10141	6.8
122.98810	1.2
123.07980	1.4
123.11752	2.5
131.08588	3.0
133.10144	3.6
135.11705	4.4
145.10103	1.4
147.11685	2.9
149.13246	1.1
155.94496	1.2
159.11792	1.2
170.05774	65.2
179.14250	1.9
180.14732	1.8
219.29628	1.0
330.16309	1.0
332.26590	5.3
335.25797	100.0
336.26111	3.1
406.30319	5.8
504.27942	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	504.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08971	8.3
67.05499	18.8
69.07060	10.1
69.53133	35.5
78.46121	7.8
78.86736	7.7
79.05508	14.0
81.07064	39.1
91.05458	12.4
93.07059	14.5
107.08600	14.2
119.08614	13.0
119.62019	8.4
121.10183	11.2
133.10153	9.9
135.08031	9.5
145.10178	13.0
146.92485	8.2
147.11685	11.6
149.09650	10.3
191.71477	9.0
194.10237	12.3
206.17906	8.9
214.06177	8.8
243.36874	11.2
275.20068	87.4
293.21124	100.0
406.22736	18.6
426.23730	9.1
504.32004	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	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
53.35040	2.6
55.05513	12.7
57.03428	5.8
57.07071	3.5
61.02915	7.2
67.05163	3.6
67.05506	65.8
69.07068	14.4
70.30450	4.6
70.30795	4.4
71.04978	4.6
73.02897	3.1
77.03915	4.2
79.05495	54.7
80.05836	2.1
81.03395	2.9
81.07057	73.0
83.04948	2.6
83.08612	8.4
85.02900	8.8
91.03957	4.9
91.05476	43.8
93.07039	71.2
95.04963	5.6
95.08607	68.6
97.02895	3.2
97.06506	4.9
97.10163	3.9
98.32682	2.3
99.08077	6.8
105.04530	4.6
105.07026	28.4
107.08594	49.9
108.08930	2.9
108.38799	2.4
109.06515	3.0
109.10134	30.7
111.08044	3.2
113.09625	2.5
117.07031	12.7
119.08585	25.4
121.10136	65.6
123.08036	2.6
123.11714	11.9
124.20930	2.3
125.09632	2.6
131.08568	39.8
133.10136	37.2
135.11687	55.5
137.09605	6.7
137.13258	2.4
138.94293	2.2
145.10114	32.4
147.11688	12.9
149.13237	19.4
151.11227	5.5
157.58470	2.2
159.11685	24.4
173.13287	10.9
173.84669	2.2
184.07396	3.9
187.14777	5.2
205.19539	4.7
215.17938	82.1
224.02036	2.7
233.18997	100.0
251.20294	2.6
307.22684	23.8
325.23715	17.1
334.85416	2.3
504.33432	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.7
57.03444	2.2
60.08163	18.3
67.05501	29.4
69.07064	4.5
71.07373	5.6
79.05497	17.8
81.07055	27.0
83.08637	3.7
86.09702	49.7
91.05489	17.6
93.07044	23.9
95.08601	22.4
95.62735	1.9
97.06495	2.0
98.06901	2.3
98.23496	5.1
98.98476	5.8
99.08107	2.4
104.10744	100.0
105.07038	9.4
107.08593	15.9
109.10169	12.3
111.08076	2.0
117.07004	3.4
119.08607	7.5
121.10159	18.3
123.11728	2.8
125.00014	28.9
131.08557	11.6
133.10179	11.3
135.11711	14.4
145.10130	8.7
147.11696	6.1
149.13275	6.0
159.11732	7.1
173.13283	2.3
184.07333	92.5
215.17928	11.1
233.18980	20.4
259.20563	2.3
307.22586	12.7
344.94818	2.1
486.29724	8.4
504.30701	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01863	0.7
55.05511	1.7
56.05035	1.0
57.03439	5.5
58.06599	0.7
59.04996	0.3
61.02925	1.4
65.03938	0.4
67.05502	5.6
68.03306	0.3
69.03423	4.2
69.07066	3.1
69.30031	1.2
70.06595	2.3
71.04986	0.8
72.04514	0.3
72.08155	5.0
73.02923	1.3
79.05493	5.1
81.03416	1.6
81.07054	8.2
83.08629	0.9
84.08144	1.3
85.02902	8.5
85.06531	0.7
85.98101	0.3
86.09714	1.1
87.04470	1.4
91.03980	0.4
91.05482	2.8
93.05154	0.3
93.07039	4.8
94.88536	0.3
95.04981	0.8
95.08602	4.4
97.02893	2.6
97.06548	2.0
98.09695	13.9
99.04456	1.0
99.08099	1.9
101.24890	0.3
102.09173	0.6
103.03951	0.3
105.07023	1.6
107.08611	3.3
109.02866	1.3
109.06531	0.6
109.10172	0.8
110.09684	0.4
111.08074	0.3
113.09642	0.7
115.07578	0.4
117.07018	0.3
119.08571	1.2
120.08125	0.4
121.10149	1.5
123.11733	0.3
124.11243	0.7
125.09641	0.3
127.03938	2.2
128.44102	0.3
129.10225	0.3
129.64923	0.3
131.08539	0.5
133.10178	1.0
135.11720	0.8
137.09727	0.3
142.12277	6.0
145.04929	0.6
145.10126	2.1
146.52826	0.3
147.11668	0.7
147.98166	0.3
149.13274	0.9
154.92688	0.3
163.11159	0.3
176.07344	0.3
189.16512	0.4
306.27917	3.0
324.28964	12.3
325.29367	0.4
335.56665	0.3
340.28601	0.4
342.14157	0.7
342.30023	21.0
343.30255	0.8
384.31339	0.5
486.34158	1.2
504.20151	2.9
504.35300	100.0
505.35815	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	504.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
54.88349	0.4
55.01872	0.7
55.05507	2.3
56.05030	1.2
57.03439	4.7
58.06590	1.1
61.02923	1.5
67.05506	7.1
69.03429	5.3
69.07066	3.4
69.30099	0.7
69.30488	1.1
70.06598	3.3
71.01351	0.5
71.04995	1.6
72.04523	0.6
72.08153	6.0
73.02917	1.1
79.05500	5.4
81.03405	2.1
81.07054	8.9
83.04986	0.8
83.08606	2.0
84.04491	0.7
84.08153	1.6
85.02901	10.8
85.06558	1.1
85.08914	0.4
86.09698	3.4
87.04478	1.4
87.10050	0.5
91.03956	0.8
91.05469	3.2
93.07031	5.6
95.04973	0.9
95.08599	5.8
97.02898	4.1
97.06516	2.4
98.09692	15.1
98.22731	0.8
99.04462	1.1
99.08082	2.3
102.09191	0.7
103.03976	0.5
105.07027	2.8
107.08591	4.2
108.08168	0.5
109.02893	1.3
109.06522	0.5
109.10178	1.3
110.09664	0.4
113.09669	1.2
115.03961	0.5
115.07595	0.6
117.07025	0.8
119.08602	1.5
120.08022	0.4
121.10171	2.5
123.11692	0.5
124.11241	1.0
127.03901	2.9
128.10718	0.9
129.10297	0.9
131.08560	0.8
133.10144	1.7
135.11719	1.3
142.12259	7.1
145.05017	1.5
145.10118	8.2
147.04372	2.8
147.11688	1.1
149.13248	1.3
150.12869	0.4
158.15417	0.5
161.13290	0.7
186.14870	0.5
189.16406	0.5
195.64658	0.3
212.53242	0.4
236.66605	0.4
243.17050	0.4
245.84953	0.4
306.27869	5.0
324.28931	15.0
326.30759	0.6
342.14005	0.5
342.26474	1.1
342.30011	22.9
458.95981	0.4
468.33221	0.5
486.34421	1.8
504.19983	3.5
504.35318	100.0
505.20734	2.2
505.35617	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01862	1.3
55.05516	3.2
56.05026	1.5
57.03441	5.2
57.07078	0.6
58.06614	0.7
60.04533	0.4
61.02921	1.4
67.05504	9.8
69.03433	6.3
69.07065	6.4
70.06593	2.2
70.72337	0.7
71.04984	1.8
72.04513	1.6
72.08157	7.6
73.02917	1.1
79.05498	7.8
81.03431	2.1
81.07057	13.5
83.04980	0.9
83.08622	1.9
84.08141	1.2
85.02907	11.6
85.06550	0.7
85.08912	0.4
86.09705	2.2
87.04464	1.4
91.03960	0.7
91.05476	3.9
93.07052	7.6
95.04982	1.3
95.08602	9.1
96.98096	0.4
97.02900	4.6
97.06528	5.6
98.09058	0.9
98.09693	17.8
99.04445	1.1
99.08102	4.3
102.09239	0.5
105.07040	3.9
107.08595	5.9
109.02889	1.5
109.06519	0.9
109.10149	2.6
110.09677	0.4
111.08080	1.1
113.09656	2.1
115.07557	0.9
117.07027	0.9
119.08566	2.1
120.08108	1.1
121.10140	3.1
123.11725	0.6
124.11224	0.8
125.09643	0.5
127.03914	2.9
128.10727	0.7
129.10287	0.6
131.08603	1.2
133.10161	1.9
135.11723	1.5
142.12263	9.4
145.04990	1.2
145.10121	5.7
147.11700	1.4
149.13307	2.3
156.13857	1.3
159.11720	0.6
161.13272	0.7
163.06161	0.5
173.13245	0.6
300.19351	0.4
306.24957	0.5
306.27908	2.4
308.29495	0.6
324.25479	0.4
324.28961	10.1
326.30576	0.7
342.26468	1.3
342.30008	31.6
343.30420	0.6
360.14182	0.4
384.31308	0.4
481.25919	0.4
486.34204	1.3
492.07422	0.5
504.19867	4.3
504.35318	100.0
505.22925	1.1
505.35602	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	504.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.05510	0.8
67.05505	2.2
68.05026	0.6
69.07074	0.6
70.06592	100.0
70.84859	0.4
70.85214	0.4
75.79214	0.4
79.05515	0.4
81.07054	2.8
83.08626	0.9
91.05479	0.7
93.07036	0.8
95.08607	1.2
103.74009	0.3
105.07015	0.5
108.60052	0.3
109.10182	0.9
119.08572	0.6
123.11636	0.5
128.07112	0.4
130.08640	71.3
175.48575	0.4
189.23035	0.4
357.35239	1.0
375.36459	0.9
444.41867	2.2
504.44125	24.0
505.44495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.31140	0.7
55.01860	2.6
55.05514	12.1
57.03178	1.0
57.03437	12.4
57.07066	1.5
59.04984	1.4
65.03938	2.5
67.05504	74.1
69.06715	0.7
69.07065	9.9
69.80138	2.3
71.04968	1.8
73.02915	1.4
77.03944	1.0
79.05492	31.3
80.06300	0.7
81.07055	39.7
83.04948	1.1
83.08623	5.3
85.06532	1.7
91.05486	24.8
93.07045	34.8
95.04955	4.8
95.08606	28.9
97.06518	0.9
97.10151	2.3
98.98466	27.7
99.08088	0.9
103.03963	1.1
103.05470	1.3
105.04516	2.0
105.07035	17.7
107.08591	17.8
109.06532	1.3
109.10155	30.7
111.08103	1.5
113.09734	0.7
117.07008	3.9
119.08581	20.1
121.06501	1.4
121.10145	12.8
123.08049	1.0
123.11720	3.3
125.09624	1.5
128.06171	0.8
129.04547	1.3
129.05472	12.1
129.07021	2.9
131.08556	7.3
133.09178	1.1
133.10138	14.0
135.08064	2.1
135.11684	8.1
137.09601	2.6
137.13249	0.7
143.08571	3.3
145.10152	6.2
147.11676	12.4
149.09572	0.9
149.13293	4.7
151.11147	1.1
155.01071	5.8
155.10706	1.3
157.10117	2.3
159.11711	6.0
161.13252	8.3
163.14790	1.7
171.11703	3.8
173.02133	5.0
173.11734	7.7
173.13255	3.3
175.11235	0.9
175.14780	4.8
185.13280	3.6
187.14751	0.9
189.12810	1.1
199.14857	2.1
215.18050	0.9
217.19470	2.5
227.12743	2.2
229.04620	1.0
229.12199	1.5
229.14352	18.7
231.21002	3.4
241.19528	9.4
243.21133	1.0
247.05762	1.2
259.20547	19.4
260.20734	1.1
261.22095	1.2
315.23248	2.7
333.24231	100.0
334.24600	2.2
388.52490	0.8
402.92572	0.8
413.29971	1.1
487.34235	4.9
505.35480	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55967	0.6
53.03942	1.5
55.01889	0.9
55.05509	14.3
57.03432	9.9
57.07072	2.3
59.05008	4.9
60.08162	0.6
65.03944	2.2
67.05502	100.0
68.05830	1.0
69.03443	1.3
69.07068	6.9
69.84897	2.3
71.04989	3.6
71.08620	1.0
77.03908	1.3
78.11965	0.6
79.05038	1.5
79.05492	24.5
79.05948	1.3
81.07054	26.7
83.05003	1.0
83.08613	8.6
83.09042	1.0
85.06534	4.3
86.09719	1.6
90.50327	0.7
91.05478	31.4
93.07043	28.6
95.04961	4.0
95.08607	17.5
97.06540	1.7
97.10177	3.1
98.22705	0.9
98.98476	2.1
99.08104	1.9
103.05499	1.1
104.10739	4.8
105.04529	1.9
105.07021	27.9
107.08582	16.7
107.09248	1.0
109.06525	1.5
109.10154	60.9
111.08074	4.1
117.07007	6.6
119.08579	30.1
121.10148	13.1
123.11708	1.6
125.09642	2.3
128.06155	0.9
129.05496	1.0
129.06992	6.1
131.08553	10.7
133.10126	19.0
135.08080	1.5
135.11688	9.7
137.09612	3.2
143.08539	4.2
145.10129	11.3
147.11682	24.1
149.09587	1.5
149.13261	7.9
151.11185	0.8
155.01065	0.8
155.10681	5.5
157.10133	4.8
159.11684	8.8
161.13254	17.0
163.11189	1.2
163.14854	2.8
171.11691	5.4
173.11772	17.3
173.13280	5.7
175.14772	6.1
175.16032	0.7
183.66866	0.7
184.07437	1.3
185.13261	6.7
187.14862	2.1
189.11284	1.5
189.12791	1.1
189.16331	0.8
199.14896	2.9
201.16444	1.2
213.16536	1.1
215.17958	1.0
217.19576	1.8
227.12750	6.7
229.14346	52.1
231.17537	1.1
231.21082	4.6
241.19510	18.5
241.21822	1.4
243.21112	0.9
259.20563	45.0
261.22330	2.1
275.20078	1.5
277.21658	0.8
315.23370	3.1
328.78616	0.7
333.24222	33.6
337.27679	1.7
347.22028	1.5
351.25632	0.7
352.48962	0.7
395.29764	1.1
413.30661	2.5
431.31372	0.9
433.72296	0.7
451.87201	0.7
469.33972	0.7
473.19772	1.8
487.34241	9.8
505.35684	11.1
534.28082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01887	1.2
55.05510	22.6
55.15885	0.6
57.03436	11.3
57.07070	5.8
59.04997	3.9
65.03938	2.7
67.05503	100.0
68.05842	0.8
69.03430	1.0
69.07068	16.3
70.72583	0.6
70.72915	0.8
71.04993	2.6
71.08625	2.2
76.42065	0.7
77.03919	1.4
79.05491	28.1
81.02869	0.6
81.07056	31.3
83.04981	1.2
83.08619	16.9
85.06539	3.4
85.10184	1.0
89.03924	0.7
91.05479	39.4
93.07041	34.3
95.04966	3.3
95.08605	18.8
97.06529	1.8
97.10171	8.4
99.08097	2.2
103.05490	0.7
105.04527	2.2
105.07029	37.4
107.08593	18.7
109.06521	1.0
109.10153	64.9
111.08087	3.1
111.11748	1.2
113.09663	0.8
115.03722	1.2
115.05507	1.0
117.03394	2.4
117.07018	8.5
119.08578	33.9
120.96680	1.0
121.10137	13.1
123.08099	1.2
123.11729	2.6
125.09617	3.1
127.11224	0.9
128.06261	0.9
129.07002	5.6
129.07880	0.9
130.07820	0.9
131.08572	12.7
133.10130	27.7
135.11687	13.3
135.12633	1.0
137.09573	3.8
143.08553	5.2
145.02853	6.6
145.10117	13.8
147.11679	27.5
149.09625	1.5
149.13245	7.4
151.07605	0.8
155.10657	6.7
157.10114	5.2
159.11693	11.5
161.13254	19.8
163.11186	0.8
163.14836	2.2
169.10294	0.8
171.11670	8.0
173.11761	23.7
173.13272	6.5
175.14828	8.5
176.99234	16.6
177.00679	0.8
177.05467	19.4
177.06963	1.2
185.13257	6.3
187.14815	2.7
189.11243	1.9
189.12764	1.2
189.16383	1.3
195.00288	37.8
199.14821	3.8
201.16484	1.0
203.14336	0.7
203.18073	0.7
210.95609	0.7
213.00114	1.9
213.16417	1.5
215.17926	1.4
217.19563	0.7
227.12761	6.8
229.14343	53.9
230.14682	1.1
231.21039	5.7
241.17044	1.2
241.19501	23.5
243.21126	1.2
259.20575	58.9
260.20926	1.3
261.22192	3.5
269.04025	1.1
277.21823	1.3
289.21710	1.5
311.25842	10.6
315.23145	4.3
333.24213	31.8
334.24646	0.9
337.27203	0.6
351.25107	2.7
395.29388	0.9
413.20615	5.4
413.30371	1.0
431.21805	1.9
469.33084	0.8
487.24554	5.1
487.34201	10.5
488.34781	0.7
505.25348	71.7
505.35049	7.8
506.26028	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63190	0.9
53.03944	1.8
55.01864	2.3
56.05032	1.4
57.03434	5.6
60.04514	1.4
61.02925	8.5
69.03428	15.7
69.07068	1.4
69.83198	0.9
69.84153	0.8
69.99965	2.4
70.02957	0.9
70.06590	19.8
71.04990	2.6
72.03702	0.9
72.08167	4.9
73.02912	4.5
79.05488	1.8
81.03426	6.0
81.07053	1.4
83.01331	1.4
84.04498	1.4
84.08140	4.3
85.02906	100.0
86.09710	10.9
87.04452	3.2
88.03983	1.2
91.03938	7.3
91.05494	5.8
95.08588	2.1
97.02261	1.3
97.02893	25.2
97.03489	1.9
98.09679	1.7
98.23381	1.4
99.04437	4.2
102.05556	1.4
103.18520	0.8
105.07007	1.2
107.04920	1.1
107.08532	0.8
109.02882	9.4
110.07178	1.5
115.03990	1.3
116.07117	1.0
119.04155	1.6
119.04946	14.5
119.08606	1.4
120.08120	8.5
123.08075	2.2
127.03921	27.9
128.10701	2.7
129.10246	2.6
135.04362	0.9
136.07649	2.0
142.12312	1.8
145.04964	49.3
147.04404	78.0
162.07697	2.4
163.03990	1.1
163.06009	27.1
165.05481	37.8
173.09207	4.6
177.05374	1.1
187.10712	1.1
196.75279	1.0
197.12766	1.2
212.10460	1.1
215.13786	0.9
215.56161	1.0
228.13388	1.1
274.24292	1.1
279.13794	1.4
324.12711	1.0
325.11328	4.0
326.14252	1.1
326.23218	1.2
344.15271	1.4
344.24478	7.6
488.28113	1.1
506.16516	1.2
506.29459	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
55.01862	0.5
55.26889	0.2
55.82720	0.3
57.03419	0.7
61.02931	1.3
61.03202	0.3
62.63559	0.3
65.03932	0.5
69.03421	1.9
70.06581	0.6
70.12843	0.6
71.04969	0.6
77.03880	0.3
81.03410	0.7
84.08151	0.4
85.02904	9.9
89.11974	0.2
91.03955	0.4
91.05478	5.8
97.02885	3.1
99.04451	0.4
106.60255	0.2
109.02878	0.7
119.04939	17.1
120.05318	0.2
123.04429	0.9
127.03912	2.2
145.04945	4.0
147.04401	100.0
148.04762	1.6
156.61259	0.3
159.85419	0.3
162.07593	0.3
163.05983	0.7
165.05469	55.8
166.05830	0.8
180.08661	1.1
180.11757	0.3
218.96446	0.3
221.88525	0.3
245.52386	0.3
309.09616	0.9
344.13455	1.1
380.13263	0.3
398.54251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
57.03431	5.7
61.02935	10.2
69.03428	11.9
69.40398	5.8
70.06598	9.2
71.04991	2.8
72.08146	1.9
73.02912	3.7
81.03437	7.7
84.04497	2.4
84.08163	1.6
85.02908	100.0
86.09708	5.5
87.04472	2.4
89.09521	1.7
91.03954	8.8
91.05493	4.4
91.55814	1.6
96.04480	1.8
97.02894	22.3
99.04481	2.5
109.02899	7.7
119.04942	14.4
120.08109	4.1
127.03915	24.7
129.10324	1.9
133.82300	1.6
136.07632	2.6
145.04964	64.8
147.04410	79.8
153.44368	1.6
162.07651	3.1
163.06010	33.4
165.05486	43.3
193.14626	1.9
206.15431	1.8
210.60109	1.6
285.42038	1.4
325.11267	4.4
344.07758	1.7
344.21844	3.0
506.27710	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01871	2.7
55.40467	0.5
57.03432	4.4
59.04986	0.4
61.02926	8.8
69.03428	18.2
69.24802	0.9
69.25198	1.1
71.04981	2.5
73.02918	2.9
79.05482	1.3
81.03413	8.5
83.01319	1.1
85.02901	100.0
86.03253	0.7
87.04463	2.1
89.96017	0.5
91.03937	4.3
95.04972	0.6
97.02890	26.5
98.06046	0.7
99.04443	4.0
103.03967	0.8
103.05470	0.7
105.06332	1.0
105.07019	10.2
109.02876	9.7
115.03928	0.9
120.08078	0.5
124.05204	14.7
124.06071	1.0
127.03910	28.7
133.06493	8.3
137.05975	14.5
144.06554	1.8
144.10197	0.5
145.04955	50.0
162.07639	1.1
163.06018	17.4
165.09108	47.3
177.09119	0.6
180.08691	0.6
271.08194	0.8
289.09177	0.9
319.77771	0.5
325.11600	0.7
506.22906	1.0
506.33167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.0
60.04520	4.3
69.03427	37.7
69.30331	8.7
85.02907	27.0
87.04468	23.7
97.02332	2.5
97.02898	25.1
103.05478	5.6
107.04939	10.0
114.94241	1.8
115.03133	2.6
115.03928	40.7
127.03922	2.9
131.04962	2.1
133.04951	37.0
135.08054	8.6
139.03853	3.8
144.06479	2.7
145.04880	2.3
150.07599	5.9
150.18683	1.7
154.06245	39.4
163.06155	3.2
163.07523	28.4
172.22510	1.8
195.10167	100.0
207.10172	6.4
211.20654	2.0
219.10167	2.7
268.23438	2.2
291.12341	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.4
55.05511	27.0
57.03443	5.4
67.05505	28.6
69.03430	11.5
69.07076	18.3
69.13553	17.7
70.06591	4.9
71.04992	4.4
79.05479	24.5
81.03433	12.2
81.07058	51.5
83.04977	8.4
83.08620	14.8
84.08140	4.2
85.02905	16.3
85.06490	2.8
86.09742	4.1
91.05476	15.3
93.07045	21.1
95.04989	13.3
95.08598	17.5
97.02874	7.8
97.06542	9.9
97.10179	24.3
99.04501	3.3
99.08067	4.5
102.09197	2.8
104.07149	4.4
105.07048	14.3
107.04979	5.1
107.08596	19.7
109.06516	5.6
109.10142	15.7
111.04435	9.3
111.08108	4.9
117.06992	7.8
119.08563	14.5
121.10139	11.3
123.08073	20.5
125.09625	19.4
127.03934	7.4
129.06924	6.9
131.08556	5.2
133.06567	3.8
133.10133	8.5
135.08014	6.6
135.11699	7.3
137.09654	8.1
143.08562	4.7
145.10153	9.6
147.08025	5.5
147.11687	10.7
147.88181	3.3
149.09682	4.8
151.11189	3.4
153.09180	3.3
153.12749	3.6
157.10085	7.4
159.11748	5.3
163.11201	9.8
165.09200	5.1
169.09860	3.3
177.05547	4.2
181.12251	7.4
189.11203	27.6
191.10696	7.3
193.12216	5.9
211.13281	5.8
223.13330	6.1
227.12874	5.0
255.17574	4.0
273.18436	20.6
291.19528	100.0
304.13034	3.1
308.29181	6.6
309.20572	52.5
326.30588	8.8
344.25861	3.8
344.31601	18.5
466.71271	3.3
505.82141	3.3
506.25427	4.4
506.37384	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30140	0.6
51.55567	0.4
53.03938	1.0
55.01870	0.5
55.05265	0.9
55.05513	14.7
55.33444	0.5
56.00431	0.5
56.05018	0.8
57.03178	0.7
57.03437	8.5
57.07077	2.5
61.08950	0.5
65.03944	0.5
67.05505	29.2
69.07069	17.3
69.07446	1.0
70.06580	1.8
71.04992	0.9
71.08625	1.0
72.08155	59.7
79.05489	8.6
79.64230	0.5
81.07056	29.0
83.04978	0.8
83.08624	8.4
85.06562	0.8
85.10153	0.6
91.05475	5.7
93.07046	9.4
95.04965	0.8
95.08607	21.9
97.06526	1.9
97.10200	3.8
98.23461	1.9
98.98466	0.9
99.08049	0.7
105.07028	4.7
107.08598	4.2
109.06461	0.6
109.10151	7.3
111.08054	0.6
111.11720	0.9
119.08546	2.8
121.10152	3.4
123.11684	2.5
125.09554	0.7
133.10127	4.0
135.11691	1.7
137.13240	1.4
147.11678	2.2
149.13260	0.8
161.13257	1.2
163.14856	0.6
170.05774	63.4
244.09503	1.1
246.62604	0.5
263.23718	1.0
267.68796	0.6
335.25836	1.8
337.27359	100.0
338.27707	3.0
408.23911	0.6
492.54208	0.6
506.32980	0.7
529.13458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05033	0.7
56.69211	0.1
57.03443	0.3
57.73569	0.1
58.06348	0.2
58.06628	0.4
60.08163	6.2
64.63090	0.1
67.05499	0.8
69.07072	0.3
70.31698	0.1
71.07371	3.1
79.05508	0.2
81.07068	0.8
86.09704	30.2
89.53326	0.1
91.05506	0.2
93.07052	0.2
93.99586	0.1
95.08588	0.4
98.22620	0.3
98.98470	2.9
98.99100	0.2
104.10744	3.0
104.59999	0.1
105.07005	0.2
109.10183	0.3
125.00000	22.1
135.80255	0.1
143.01047	0.2
184.07336	100.0
185.07738	0.8
258.11017	0.2
323.25705	0.2
393.05099	0.1
440.74210	0.1
488.31439	1.1
506.25543	0.2
506.32419	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	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.2
57.03443	6.8
57.07067	10.7
62.06093	28.3
67.05514	35.0
67.74122	2.7
69.07067	18.5
70.63182	3.2
71.08626	8.3
73.91463	2.5
76.01815	2.5
79.05493	6.9
81.07061	30.3
83.08620	10.6
85.10117	2.9
91.05541	4.0
93.07042	5.0
95.08604	34.8
97.10180	2.7
98.98483	10.6
105.03381	2.6
107.08585	6.4
109.10155	8.7
121.10183	3.8
123.11741	2.8
124.01599	3.4
133.10133	2.9
135.11708	3.3
155.01067	9.5
195.00307	57.6
216.06334	3.9
291.26889	9.2
313.27420	16.1
334.31061	11.6
335.87961	2.7
365.30515	100.0
488.31302	8.1
506.31827	3.9
507.26755	11.8
520.71832	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	506.3247
Annotation	(-)-Terpendole D
Peak:m/z	Relative Intensity
55.05503	1.2
55.83549	0.5
56.05030	1.2
57.03427	0.7
58.06606	1.3
60.04918	0.5
60.07871	1.1
60.08165	17.3
67.05511	3.9
69.07074	1.3
69.86372	1.8
71.07372	6.7
79.05482	1.6
81.07052	2.8
86.09707	52.6
91.05472	1.1
93.07038	0.8
95.08608	1.4
98.98476	3.3
104.10744	100.0
125.00009	27.6
125.00938	0.9
162.23347	0.5
163.01553	0.7
184.07344	91.4
185.07709	0.7
323.25824	1.4
488.31415	8.4
489.18478	0.6
506.32416	30.2
507.32538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01855	0.5
55.05514	2.5
55.88308	0.4
56.05029	1.3
57.03439	6.0
57.07074	0.6
58.06597	0.8
61.02922	1.9
67.02406	0.4
67.05506	5.3
68.28886	0.4
69.03426	6.2
69.07076	4.9
69.22665	1.8
69.23065	1.0
70.06586	0.7
71.04984	1.1
72.04524	0.8
72.08152	4.7
73.02914	0.8
79.05497	3.3
81.03420	2.0
81.07050	7.4
83.08624	1.7
84.08161	0.9
84.45287	0.5
85.02906	11.3
85.06544	0.6
86.09695	0.8
87.04465	1.3
91.03973	1.0
91.05481	0.8
93.07036	2.7
95.08600	8.7
97.02903	3.6
97.06529	2.6
97.10179	1.0
98.09695	15.0
99.04477	1.0
99.08089	3.3
101.02379	0.5
102.09193	0.6
103.03939	0.5
105.07062	1.0
107.08604	2.2
109.02893	1.8
109.10156	3.3
113.09662	1.3
115.07601	0.6
119.08598	0.6
121.10131	1.4
123.11755	0.5
124.11240	0.7
125.09715	0.5
127.03910	2.9
128.10634	0.5
133.10127	0.8
135.11699	1.3
142.12274	8.8
145.05035	1.0
149.13309	0.5
151.14879	0.6
156.61267	0.5
158.15408	0.7
159.23045	0.5
161.13412	0.6
163.14893	0.4
207.26088	0.4
254.02510	0.5
308.29526	2.0
326.30524	7.8
344.31580	23.0
345.31915	0.7
386.32504	0.7
405.19501	0.6
488.35724	2.3
506.36859	100.0
507.24304	0.9
507.37103	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	507.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03427	2.2
57.07077	13.4
60.01157	0.7
67.05507	3.3
69.07063	2.3
69.31050	1.6
69.31460	1.9
71.08629	8.8
81.07061	3.3
83.08620	2.5
85.10172	4.3
95.08602	4.8
97.10138	1.0
97.51920	0.7
98.22750	1.1
109.10182	2.3
115.03687	1.5
123.11761	0.7
144.01930	0.7
147.63652	0.6
164.92125	0.7
176.99234	18.3
180.89362	0.6
189.07976	0.6
195.00290	39.0
205.20839	0.8
213.00076	0.9
256.21902	0.8
269.04007	2.2
313.27368	18.2
353.26730	2.5
415.22183	7.2
433.23203	1.2
437.12665	0.8
489.25958	5.8
507.26978	100.0
508.27509	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	507.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.3
67.05522	3.5
70.06609	1.5
72.27538	1.2
76.81274	1.3
79.05478	1.7
81.07064	2.9
85.02898	1.4
86.09718	3.1
87.48875	1.1
88.12008	1.3
91.05488	1.2
95.04984	2.2
95.08600	2.3
97.06552	1.9
100.11288	1.4
107.08604	2.4
116.88854	1.2
120.08098	15.6
121.10126	1.2
123.04460	2.2
128.10767	1.5
130.24352	1.2
188.07181	3.4
203.05338	7.1
205.09674	1.7
224.99716	1.2
225.01910	1.4
305.64401	1.4
327.22897	13.3
329.24655	6.8
345.86502	1.5
346.23849	3.6
352.16599	2.7
507.29330	100.0
508.29764	6.0
512.87952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79206	0.3
55.01867	0.5
55.05505	0.3
56.05032	0.3
57.03432	0.9
61.02919	0.9
65.03944	0.8
69.03430	2.1
69.69343	0.4
69.69687	0.9
70.06594	4.0
71.04976	0.3
72.08146	1.7
74.06068	0.4
77.43677	0.3
79.05480	0.3
81.03400	1.2
81.07066	0.3
84.04505	0.5
84.08150	3.0
85.02407	0.4
85.02914	6.7
86.09703	3.0
87.04471	0.3
91.03929	0.4
91.05479	5.3
93.07034	0.3
96.08117	0.3
96.38048	0.3
97.02894	2.8
98.09676	0.5
99.00774	0.3
99.04458	0.5
107.04977	0.7
109.02867	0.7
114.09180	0.3
116.07109	0.4
119.04945	14.5
119.08592	0.4
120.08102	1.4
123.04430	0.7
127.03892	1.9
127.08677	0.5
129.10229	1.7
130.08640	0.5
131.08578	0.8
136.07568	0.8
145.04958	2.4
147.04407	100.0
148.04765	1.6
149.09598	0.7
165.05482	26.1
174.12454	0.3
177.05617	0.3
180.08678	2.4
197.16603	0.5
204.19644	0.4
213.09097	3.4
242.18669	0.3
261.06039	0.4
328.24704	0.7
329.10025	0.3
346.12845	0.4
346.16864	0.3
346.26105	1.5
347.12296	0.5
508.31317	3.8
509.10641	0.5
509.17416	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15481	0.3
52.63921	0.2
56.86398	0.3
58.06600	0.7
69.47221	0.3
69.94589	0.8
70.06592	0.5
79.05487	0.6
79.85479	0.3
85.02927	0.4
91.05490	0.7
93.07058	1.4
95.04964	0.6
97.41442	0.3
103.05479	7.0
103.68842	0.3
107.04967	1.3
111.76577	0.2
120.08110	100.0
121.08446	1.2
123.04460	0.8
131.04941	2.7
133.34360	0.2
136.07677	0.4
149.05989	2.0
155.06970	0.5
163.03931	1.8
166.08646	55.2
167.08963	0.7
181.04980	0.8
183.06511	0.9
217.11809	0.3
225.07620	2.3
346.22049	0.8
508.27863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17797	0.3
51.71395	0.3
51.74041	0.3
63.76126	0.3
70.59750	0.5
77.47910	0.3
79.05494	0.6
81.82098	0.3
85.02923	0.6
87.85860	0.3
91.05478	0.6
93.07050	1.4
95.04988	0.4
103.05468	5.9
107.04950	1.2
120.08107	100.0
121.08443	0.6
125.66579	0.3
127.03902	0.4
131.04930	2.4
140.28354	0.3
145.04993	0.4
149.05983	1.7
153.63422	0.3
160.15077	0.3
166.08640	56.8
167.08929	0.7
225.53555	0.4
495.52118	0.4
527.07672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43290	0.5
69.03433	1.7
69.21306	2.2
69.21709	0.9
70.06609	0.7
76.93962	0.5
78.76974	0.5
81.03410	1.0
85.02898	7.6
95.04971	0.9
97.02903	2.5
98.22652	0.8
100.00846	0.5
101.18526	0.6
103.05466	51.3
104.05777	0.6
114.33576	0.6
116.87436	0.5
127.03925	2.5
131.04926	84.6
132.05228	0.8
145.03789	0.5
145.04926	3.4
149.05975	100.0
150.06299	0.8
163.06004	1.9
169.33575	0.6
170.60141	0.7
260.10229	0.6
325.11169	1.2
329.32669	0.8
334.70538	0.6
374.51132	0.6
418.36469	0.6
502.66489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.5
55.05497	10.1
57.03426	6.1
63.58217	3.2
63.68329	3.4
67.05504	23.8
69.07055	26.7
70.75909	5.7
71.05005	5.6
73.17980	3.3
79.05481	15.7
81.07050	29.7
83.05009	3.4
83.08619	8.1
83.96431	3.6
85.02914	40.5
85.06528	5.0
91.05481	12.9
93.07053	21.6
95.04955	7.8
95.08597	30.5
97.02879	3.2
97.06525	13.7
99.08058	4.2
105.07023	11.4
107.04945	3.5
107.08613	20.7
109.06515	3.8
109.10139	15.4
111.08060	7.4
116.93885	2.9
117.07014	5.9
119.08559	16.5
121.10130	7.0
123.04436	7.6
123.11727	7.0
127.03925	3.5
131.08559	5.8
133.10123	10.8
135.08095	3.9
135.11693	36.6
135.38608	2.7
137.09592	9.3
145.04868	4.7
145.10075	6.7
145.32652	2.9
147.11664	6.9
149.13281	6.2
151.07581	3.2
153.12741	13.4
159.11673	7.5
164.81758	3.4
165.09113	45.7
167.07080	3.5
171.11583	3.7
177.12747	8.8
179.45120	3.4
195.13831	24.8
211.13237	4.8
213.14854	71.8
217.14394	13.2
229.19356	3.3
231.15965	8.4
235.16927	5.4
238.18080	4.6
265.21548	6.4
275.20032	35.4
293.21075	100.0
293.24393	5.4
297.24823	3.3
311.22156	16.8
346.23740	23.7
347.18155	5.0
367.24945	3.4
374.14157	3.4
508.22028	5.3
508.38834	5.1
509.22946	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	508.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01879	4.8
55.05506	21.7
57.03445	3.8
62.78198	2.0
65.03953	2.9
67.05507	36.7
69.03428	8.5
69.07073	20.4
69.70832	7.8
70.06573	6.1
71.04983	4.1
72.08161	3.7
79.05503	27.8
81.03413	6.8
81.07059	52.6
82.07381	2.6
83.04976	6.9
83.08627	18.0
84.08147	2.9
85.02918	14.7
85.06541	4.8
87.04462	2.7
91.05479	25.7
93.07049	37.8
95.04980	5.6
95.08611	24.0
97.02897	5.4
97.06528	7.9
97.10168	11.6
99.04437	2.2
101.04639	2.2
101.70274	2.2
105.07041	27.0
107.04954	2.8
107.08588	33.1
109.02857	2.9
109.06519	6.5
109.10136	12.2
111.08067	6.6
117.07023	9.9
119.08603	17.7
120.08084	3.5
121.06495	3.0
121.10127	15.1
123.08120	3.3
123.11698	4.5
125.09631	13.0
127.03925	9.0
131.08606	13.2
133.06520	2.4
133.10136	23.3
135.08104	3.4
135.11728	8.5
143.08546	3.9
145.05008	4.6
145.10123	9.7
147.11734	11.3
149.09634	7.7
149.13243	18.4
151.07623	2.9
151.11278	3.3
157.10164	3.9
159.11699	15.0
161.13293	4.0
163.11201	5.9
163.14799	2.7
165.09131	9.3
171.11665	2.6
173.11758	4.4
173.13249	3.4
177.12738	4.7
178.07785	2.9
179.08582	19.2
185.15356	2.8
189.11240	7.0
191.14368	3.0
195.13815	39.8
213.14868	43.7
235.16879	7.7
239.18068	3.6
257.18988	6.2
275.17038	5.0
275.20065	100.0
277.21591	7.6
293.18011	3.4
293.21143	27.4
335.26871	2.4
346.23682	3.7
357.19080	2.5
361.78708	2.3
394.26651	5.0
508.32327	11.7
509.29477	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05514	12.1
57.03443	3.0
57.07058	3.0
67.05505	42.6
67.36443	2.2
69.03426	7.3
69.07060	21.4
69.95430	4.7
70.06593	2.6
71.05000	5.9
72.08154	4.1
79.05498	27.7
81.03426	5.3
81.07058	59.6
83.04989	5.6
83.08599	14.0
85.02910	14.9
85.06577	4.0
86.09711	2.9
91.05480	24.9
93.07048	39.6
95.04968	8.6
95.08606	24.1
97.02869	4.2
97.06535	8.5
97.10177	6.8
99.04461	2.5
99.08125	3.4
105.07030	18.8
107.04982	6.3
107.08593	23.6
109.02889	3.8
109.06530	9.0
109.10172	13.5
109.10921	2.8
111.08104	4.4
117.07018	10.6
119.08584	21.5
121.06501	5.1
121.10148	19.1
123.08100	5.2
123.11731	8.8
125.09676	4.3
127.03897	5.2
131.08565	15.6
133.10123	22.8
135.08083	3.2
135.11728	9.7
137.06046	3.6
137.09622	3.9
139.11240	2.2
143.08546	3.8
145.10133	10.4
147.11690	13.3
149.09668	7.9
149.13258	22.6
151.11174	2.5
157.10181	5.1
159.11714	19.2
161.09624	3.2
161.13258	3.4
163.07588	3.0
163.11189	5.0
165.09108	5.6
167.14360	3.8
171.11765	3.1
173.11813	2.4
173.13278	4.3
177.12764	7.3
195.13783	45.5
213.12924	4.8
213.14844	41.0
229.14160	2.9
235.17001	11.7
239.17809	3.4
257.19049	8.2
275.20065	100.0
293.21136	37.7
311.22058	3.6
315.60019	2.1
346.23740	2.9
376.28351	2.6
508.32565	8.1
508.79562	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	508.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.07066	1.1
60.08163	14.5
67.05498	2.4
67.72327	1.0
69.07067	2.3
70.06595	1.2
70.61320	1.4
71.07368	6.3
78.54284	0.9
81.07009	1.5
83.08623	1.1
86.09709	53.9
93.07045	1.3
94.86949	1.0
95.08643	1.5
95.42500	1.0
97.10152	1.7
98.98470	4.6
104.10743	100.0
109.10213	1.5
125.00015	26.9
151.01891	1.0
184.07344	97.5
219.02327	1.0
226.37323	1.1
299.49048	1.0
302.00061	1.1
407.50677	1.2
481.13150	1.1
490.33072	9.4
508.33969	40.6
509.33746	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71777	1.1
53.03951	1.3
55.05254	2.1
55.05513	33.5
57.03439	8.2
57.06855	1.2
57.07079	13.4
60.08158	2.4
61.02934	6.1
65.03920	1.4
67.05504	45.5
67.05866	2.4
69.03433	1.7
69.07069	49.5
69.25950	6.0
71.04993	1.5
71.08638	7.0
72.95615	0.9
73.02909	1.6
75.04484	2.2
79.05498	20.8
81.03415	1.7
81.07056	63.5
82.07418	0.9
83.05003	1.6
83.08624	36.9
84.08965	1.2
85.02912	6.8
85.06519	1.8
85.10188	4.3
86.09711	9.4
91.03967	2.3
91.05478	3.7
93.07045	29.9
95.04966	1.9
95.08606	44.4
97.02892	3.4
97.06539	9.2
97.10175	25.5
98.98465	4.3
99.08116	1.9
104.10755	15.3
105.07026	2.8
107.08591	20.4
109.10154	21.4
111.08069	6.7
111.11715	7.1
113.09673	1.9
115.11213	1.2
119.08573	1.7
121.10147	40.7
123.11703	16.8
125.00008	5.3
125.09637	3.4
125.13293	2.2
133.10133	1.5
135.11688	31.5
137.13274	12.3
139.11192	3.8
149.13272	15.8
151.14766	2.3
151.45654	1.0
153.12753	2.4
155.01025	1.8
163.14827	6.7
167.14351	1.8
177.16325	2.0
184.05864	1.5
184.07347	14.5
195.00386	2.2
197.00667	1.3
202.19742	1.0
219.21080	43.0
219.23169	2.2
220.21489	1.2
235.60393	1.1
237.22128	100.0
238.22488	3.4
255.23184	23.7
256.23563	1.1
311.25784	77.0
312.26221	3.7
329.26840	40.8
330.27191	2.0
336.26260	2.6
336.37738	1.4
337.27390	28.8
381.26526	2.1
399.27771	1.5
490.32828	2.0
508.26370	1.1
508.34293	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	509.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68684	0.9
57.07091	1.4
69.13872	4.7
71.08659	0.8
81.07059	1.1
88.92448	0.9
117.33836	0.9
136.53357	0.9
137.05199	0.8
172.93788	2.2
192.48787	0.9
195.00339	2.0
204.19124	0.8
244.70242	0.9
346.18066	0.9
390.21866	1.0
509.20471	100.0
509.26785	4.1
510.20898	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	509.2728
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
52.66820	0.7
69.28684	0.6
70.17612	1.6
81.07068	0.8
93.07088	0.7
95.08647	0.7
152.64488	0.6
164.47870	0.6
164.95775	0.6
167.39131	0.6
509.27240	100.0
510.27457	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	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01970	0.6
55.05265	0.8
55.05516	11.5
57.03442	7.1
57.07067	2.2
61.84632	0.5
65.03924	0.9
67.05508	29.1
69.07075	16.7
69.43369	0.7
69.86547	2.0
71.08633	1.1
75.04491	0.6
79.05507	7.1
81.07061	29.9
83.04970	1.4
83.08624	7.9
91.05476	4.3
93.07048	7.7
95.04984	0.8
95.08616	20.7
97.06529	1.0
97.10158	2.9
98.98473	17.8
105.07028	2.8
107.08611	4.7
109.10154	7.9
111.08092	0.8
119.08598	3.5
121.10155	3.3
123.11723	4.2
133.10133	2.5
135.11714	2.5
137.13260	1.1
147.11687	2.5
149.13271	1.4
151.14888	0.9
155.01065	6.4
161.13300	1.0
173.02110	3.2
186.55336	0.6
229.04758	0.8
245.22600	1.1
247.05734	1.0
262.98117	1.1
263.23749	1.9
311.75854	0.7
317.12061	0.7
333.31061	0.8
337.27374	100.0
338.27878	4.1
473.26541	2.0
509.28787	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	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.5
57.03441	7.5
57.07078	1.6
58.55688	0.6
65.03913	1.0
67.05503	26.9
69.07066	16.4
69.28139	4.1
79.05485	6.2
81.07050	29.7
83.04957	1.1
83.08617	7.5
91.05479	4.6
93.07056	7.4
95.04961	1.0
95.08602	24.1
97.06494	1.1
97.10148	3.3
98.98467	18.4
105.07018	3.3
107.08590	4.6
108.07028	0.7
109.10159	8.1
119.08573	3.1
121.10133	2.9
123.11676	2.8
133.10114	2.8
135.11719	1.7
137.13242	1.5
147.11699	2.6
155.01047	4.1
161.13222	1.3
173.02122	3.2
175.14848	1.3
200.18924	0.7
245.22719	1.1
247.86528	0.8
263.23691	2.1
337.27347	100.0
338.27686	3.2
346.96881	0.7
473.26599	2.4
473.82428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.9
57.03473	7.5
57.07078	9.5
62.24152	5.8
67.05503	36.2
69.03412	7.3
69.07066	45.9
70.06618	12.1
74.58262	5.4
76.02197	5.8
77.48177	5.3
79.05489	21.1
81.07059	100.0
81.08320	6.1
83.04981	6.7
83.08637	26.9
85.02902	17.2
85.06568	10.3
91.05487	11.5
93.07014	26.3
95.08604	74.3
97.02904	7.0
97.06486	8.3
97.10178	18.0
97.85063	5.9
99.04433	5.6
105.07032	8.8
107.04967	8.0
107.08584	25.1
109.10168	43.6
111.08150	6.5
111.11755	14.0
119.08552	6.0
120.08148	7.0
121.06574	5.7
121.10166	15.5
123.11707	24.0
125.13277	14.0
131.08577	6.3
133.10155	8.6
135.11682	12.2
137.13252	18.1
145.04947	6.0
145.10207	7.5
149.13258	28.6
151.14822	13.0
163.14803	7.0
165.09105	10.4
167.14296	12.3
181.10101	13.7
231.14717	5.4
275.27405	14.4
293.28546	36.7
305.66992	6.1
336.62711	5.6
348.25162	7.6
377.28452	5.9
405.92383	5.6
492.42197	6.2
509.29431	8.1
510.18274	7.9
510.30591	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	509.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96848	3.4
55.05514	22.1
57.07073	16.7
67.05506	30.1
69.03411	5.5
69.07063	56.7
69.07401	5.2
69.77817	10.4
70.06596	5.1
71.08638	7.4
79.05495	10.0
81.07056	100.0
83.08616	37.8
85.02908	14.9
85.06541	9.8
91.05481	6.1
93.07048	18.5
95.08603	96.7
96.08964	3.0
97.02893	4.8
97.10162	21.9
99.08098	10.5
105.07027	8.2
107.08580	15.3
109.06554	3.0
109.10155	59.3
109.10894	4.5
111.11719	24.2
121.10160	8.4
123.11713	32.3
125.13268	10.2
127.11201	8.1
129.12772	4.5
133.10126	3.7
135.11711	11.4
137.13261	21.3
143.14313	3.9
145.09927	3.1
147.11731	3.0
149.13269	20.0
151.14809	21.8
153.12805	5.5
155.14441	3.2
163.14864	7.4
165.16422	10.3
167.14388	3.6
169.15880	5.6
179.17966	5.3
181.10149	9.4
183.17471	4.4
191.18039	3.1
219.21150	4.0
249.04254	2.9
275.27368	12.5
281.28439	9.3
293.28336	27.9
311.29382	20.1
329.30463	3.0
347.18307	4.1
348.25497	3.2
509.23239	6.8
509.31027	4.6
510.30743	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	510.3064
Annotation	Veracevine
Peak:m/z	Relative Intensity
55.05487	0.9
57.03394	0.9
57.28789	0.3
58.06571	0.4
61.02882	1.4
67.05466	1.0
68.04998	0.5
68.52425	0.3
69.03435	4.8
69.07025	1.1
70.06594	1.6
73.02872	1.2
79.05447	1.1
80.05022	0.3
81.03378	1.2
81.07011	1.5
82.06570	1.8
83.07309	1.0
84.08113	0.9
85.02907	6.7
91.05429	0.4
93.07001	0.9
94.06573	1.9
95.08578	0.5
96.08118	4.2
97.02902	2.3
98.09644	0.4
99.04410	1.0
103.05480	0.5
105.07037	0.5
107.04937	0.4
107.08470	0.4
108.08080	1.3
109.02825	1.0
109.08851	1.0
110.09679	2.4
110.50787	0.3
112.07617	2.1
115.03890	0.4
120.08064	0.5
122.09682	3.7
123.04429	6.9
123.10410	0.4
127.03920	2.1
127.09931	10.2
131.04895	1.1
135.11626	0.3
136.11191	0.9
137.05972	0.4
140.09662	0.5
140.10703	8.6
140.50409	0.3
147.04449	0.8
149.05995	2.1
150.12723	0.5
154.12227	0.7
180.22400	0.3
182.15347	0.5
187.36584	0.3
191.62178	0.3
192.17456	0.3
196.16998	0.5
206.19034	4.2
210.18506	0.8
224.20091	7.0
247.08138	0.4
290.21289	0.7
290.53537	0.4
293.22180	0.3
295.09601	0.5
314.21152	0.7
328.22662	4.3
330.24268	26.6
331.24725	0.4
347.24451	1.3
348.25323	56.8
349.25726	1.7
372.25293	0.4
390.26334	1.1
396.55902	0.3
408.33728	0.4
492.30402	0.4
505.18854	0.4
510.30630	100.0
511.30838	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	510.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70838	0.3
53.03921	0.4
53.18185	0.3
55.05479	0.7
55.21582	0.3
57.03402	0.7
58.06564	0.3
61.02881	1.2
67.05456	1.4
68.05001	0.5
69.03429	3.4
69.07014	0.9
69.16981	1.9
70.06597	1.7
73.02876	0.9
79.05441	0.9
81.03363	1.0
81.07005	1.1
82.06564	2.0
83.01271	0.4
83.07368	1.8
84.08118	0.8
85.02901	4.7
87.04426	1.0
90.99320	0.3
91.03889	0.5
93.07034	0.8
94.06572	1.9
95.04931	0.4
95.08569	0.7
96.08127	3.7
97.02901	1.5
98.05981	0.3
98.09662	0.4
99.04412	0.8
101.02337	0.4
105.07018	0.4
107.04831	0.4
107.07299	0.3
108.08081	1.5
109.02851	0.7
109.08845	1.3
110.09674	2.3
112.07598	2.5
122.09660	3.1
123.04431	6.4
123.10393	0.5
124.11153	0.4
127.03873	0.9
127.09930	9.6
136.11198	0.7
140.10689	9.3
141.11415	0.4
145.04887	0.5
149.05943	0.4
152.14297	0.3
154.12270	0.5
182.15329	0.5
193.61198	0.3
206.19064	4.3
210.18506	0.5
216.54120	0.4
224.20090	6.2
267.62375	0.3
290.21121	0.4
294.19543	0.4
312.23285	0.4
314.21155	1.1
328.22699	4.2
330.24255	24.5
331.24869	0.7
347.24484	0.4
348.25320	54.7
349.25742	1.5
372.25122	0.4
390.26318	1.1
510.30624	100.0
511.30936	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	510.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01873	5.4
55.05507	15.4
57.03446	4.3
61.02937	2.7
67.05500	42.9
69.03444	10.9
69.07076	16.8
70.00281	4.3
70.06587	2.8
71.04996	3.8
71.08640	11.9
72.08150	2.7
73.02929	3.6
79.05493	24.9
81.03420	8.6
81.07056	58.4
83.04991	5.7
83.08613	17.6
85.02899	24.0
85.06522	2.8
86.01440	1.9
86.09722	2.2
87.04491	2.8
91.05476	15.2
93.07046	37.2
95.04991	7.1
95.08601	20.1
97.02924	7.6
97.06541	9.3
97.10163	13.0
98.23486	2.2
99.04458	3.2
99.08105	12.0
103.03923	2.3
105.07053	8.1
107.08595	21.5
107.90118	2.0
108.75992	1.9
109.02868	3.2
109.06568	2.5
109.10183	5.0
111.04449	5.8
111.08101	6.3
115.03914	2.2
117.07047	5.8
119.08606	8.3
121.06554	2.7
121.10147	11.5
123.04441	2.8
123.11725	4.2
125.05975	2.3
125.09647	7.8
127.03920	9.9
127.09962	6.0
131.08595	7.2
133.10138	17.0
135.08104	3.5
135.11705	12.3
137.05977	30.9
137.13277	2.2
138.20628	2.0
140.10750	2.5
145.05000	6.5
147.11778	3.0
149.09624	5.3
149.13254	26.2
151.11165	10.5
159.03722	2.3
159.11705	19.4
161.09601	2.4
161.13297	6.0
163.06075	2.4
163.11176	3.3
165.12704	3.1
173.11765	3.5
177.12762	8.4
179.14375	2.6
181.10110	16.3
189.11241	8.6
195.13789	87.3
195.15590	4.7
203.18137	2.3
213.14851	100.0
224.20099	3.9
231.17442	5.0
237.14865	5.5
249.14861	8.0
259.20587	4.2
277.17993	14.8
277.21609	21.9
279.15784	4.9
295.19260	4.5
295.22705	14.0
303.15759	2.5
330.24258	7.8
348.25290	19.7
349.19788	10.6
351.21741	14.2
431.18219	12.7
492.23413	7.7
510.18613	6.2
510.30444	34.0
511.24686	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	510.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04400	0.6
53.03889	1.1
54.14080	0.6
55.01825	1.0
55.05442	4.9
56.04989	1.2
57.03368	2.5
58.06526	2.2
58.06808	1.0
59.04927	0.6
60.04451	1.8
61.02876	1.1
67.05425	18.8
67.05814	2.1
69.03354	5.2
69.06987	5.9
69.07401	1.1
69.40812	3.4
70.06512	11.5
71.04947	1.1
72.08092	0.9
73.02853	0.9
74.06006	1.4
79.05412	5.0
81.03335	2.5
81.06970	25.0
81.07494	2.1
82.06504	0.6
83.04914	1.2
83.08620	4.7
84.04481	0.8
84.08067	2.4
85.02907	16.3
85.06487	1.1
86.06014	1.3
86.09616	2.0
87.04386	2.6
91.05397	2.1
93.07040	7.4
95.04882	2.5
95.08604	25.0
96.08091	0.7
97.02889	6.5
97.06456	1.1
97.10083	1.8
97.97186	0.6
98.09637	1.2
99.04345	1.9
101.05912	0.6
103.03844	1.8
105.06958	1.7
107.08582	4.1
109.02790	2.2
109.10155	12.9
111.11644	0.8
115.03867	1.1
119.08511	1.1
120.08055	1.5
121.10122	3.6
123.08029	1.1
123.11700	7.4
125.91615	0.6
127.03918	5.1
133.10056	1.8
135.11679	4.3
136.07491	0.7
137.13225	1.2
137.14319	0.6
140.10506	0.7
145.04846	2.8
147.11604	1.3
149.13176	2.8
151.11182	3.2
161.13210	0.7
162.07625	0.6
163.05978	1.7
163.14810	0.6
169.12163	1.8
175.14761	1.2
248.23720	1.1
249.22194	1.8
250.25290	22.4
252.28664	0.6
255.43553	0.7
266.24796	28.1
268.26392	1.5
276.23148	2.1
284.25839	1.6
292.26257	1.0
294.24387	3.8
295.05969	1.5
295.22833	1.7
306.45544	0.6
308.25583	0.9
312.25314	26.6
330.26395	26.7
348.27444	100.0
349.27805	2.4
354.26450	1.2
390.28665	2.9
391.08017	0.8
456.29562	1.8
474.30533	2.9
492.31699	5.0
510.32816	62.9
511.33148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02565	1.0
55.01851	2.4
55.05502	3.0
57.03431	7.8
58.02951	2.0
58.06594	5.0
61.02917	1.7
67.05502	10.4
69.03419	4.1
69.07055	4.8
69.28984	5.9
70.06599	6.3
71.05005	1.2
71.08602	1.1
72.08150	4.5
74.88255	1.0
75.84113	1.0
79.05492	7.4
81.03410	3.0
81.07053	12.8
83.04968	1.3
83.08616	2.2
84.07671	2.0
84.08146	32.9
85.02911	6.2
90.89130	1.0
91.05476	25.2
93.07024	5.6
95.04964	2.3
95.08602	9.0
96.08105	1.4
97.02895	3.7
97.06506	2.6
99.04463	1.5
99.08125	1.4
105.07018	6.7
107.08595	3.3
109.02886	2.8
109.10169	3.2
110.09692	4.5
112.11214	2.2
113.06019	2.1
113.09642	1.3
117.05508	3.4
117.07021	13.5
119.08575	3.0
121.10162	1.9
123.04375	1.2
123.11725	1.2
124.74794	1.0
125.09595	1.7
127.03886	1.8
128.10709	19.1
129.06969	3.5
131.08575	18.1
133.10060	2.2
136.33369	1.0
141.05484	4.8
143.08569	1.4
145.10127	4.2
147.11708	1.5
157.10135	1.9
158.75194	0.9
159.06436	1.3
159.11726	1.8
163.11171	1.8
169.10088	1.7
171.11696	1.5
173.11745	2.0
173.13255	1.5
177.07553	2.3
239.18071	1.3
257.19104	2.3
270.97546	1.0
275.20032	3.0
299.23666	1.3
312.26880	7.9
330.24268	3.4
330.27869	27.4
348.25479	5.0
348.28952	100.0
349.23694	5.9
349.29187	4.6
351.25400	1.7
390.30014	3.4
411.73123	1.2
474.32037	3.8
485.05865	1.1
492.33246	1.8
510.34680	46.0
511.22794	5.0
511.34622	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	510.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05515	3.4
56.05039	1.0
57.03442	4.0
57.07079	0.6
58.02968	0.7
58.06620	3.2
61.02941	0.5
64.70448	0.4
65.03977	0.4
67.05505	6.6
69.03426	2.4
69.07062	5.4
69.15682	1.0
69.16090	1.7
70.06598	2.5
71.04990	0.9
72.08160	2.9
79.05498	3.9
81.03440	1.2
81.07062	9.6
82.06555	0.7
83.04984	0.9
83.08613	1.5
84.08146	34.4
85.02908	4.2
85.06534	0.8
88.07632	0.6
91.05486	19.8
93.07057	3.5
95.04956	0.9
95.08612	7.8
96.08134	1.1
97.02911	1.8
97.06535	3.5
97.10185	0.8
98.09694	0.5
99.08100	4.5
105.07031	4.1
107.08604	2.4
107.52505	0.5
109.02865	0.9
109.06562	0.5
109.10165	1.7
110.09682	2.3
111.08101	0.7
112.11243	1.1
113.09644	1.6
115.05345	0.4
117.07023	12.0
119.08588	1.3
121.10158	1.7
122.09559	0.5
123.04395	0.5
123.11645	0.7
125.09625	0.6
126.09127	0.5
126.12769	0.5
127.03911	0.7
127.09909	0.6
128.10722	20.1
129.07002	2.5
131.08568	20.1
133.10129	0.9
135.11716	2.3
141.06961	0.8
142.32356	0.5
143.08559	2.3
145.10118	2.8
147.11676	0.8
149.13258	0.4
156.13885	0.5
157.10136	1.5
159.11694	0.9
169.10149	0.9
171.11702	1.6
184.13177	0.5
185.13351	0.5
224.20209	0.7
245.29601	0.5
245.60780	0.5
248.76819	0.5
281.22629	0.6
299.23618	1.6
312.26843	4.6
330.24384	1.1
330.27896	17.3
331.28235	0.8
348.25546	3.8
348.28970	100.0
349.16702	0.6
349.23477	0.5
349.25772	0.5
349.29276	3.3
352.59515	0.4
390.29916	1.9
442.22311	0.6
474.32077	1.9
492.33160	2.0
510.34619	28.5
510.42044	1.4
511.23007	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	510.3544
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05505	1.6
56.05021	0.7
57.03423	1.1
57.07074	8.4
58.06594	1.6
60.08165	15.4
65.53365	0.5
66.86912	0.5
67.05492	2.3
69.07072	2.7
71.07372	6.2
71.08630	6.6
75.04466	0.6
80.78330	0.6
81.07053	3.4
83.08606	2.4
85.10190	3.1
86.09702	49.7
95.08606	5.4
97.10172	1.0
98.98467	3.1
104.10740	100.0
105.11068	0.8
109.10149	2.3
123.11733	0.7
124.66840	0.5
125.00001	25.7
137.13225	0.6
155.01071	0.6
160.88939	0.5
163.01582	0.9
178.02370	0.5
184.07336	95.7
196.00647	0.5
206.91904	0.6
239.23685	3.6
258.11023	1.4
313.27362	14.3
327.28809	1.3
331.28357	2.0
338.27716	2.2
368.85300	0.7
432.64285	0.6
489.06564	0.6
492.34546	8.3
510.21640	2.5
510.35532	37.1
511.15536	0.8
511.35648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.7
57.03439	4.2
57.07079	46.4
60.08142	2.6
61.02935	2.9
61.03305	1.3
61.10063	1.6
67.05505	11.0
69.03421	4.5
69.07071	10.9
69.33373	5.9
69.50334	1.6
71.08630	40.2
71.99545	1.4
78.18369	1.5
81.03413	2.0
81.07057	18.9
83.08624	12.8
85.02917	9.7
85.10188	22.7
86.09709	5.7
95.08609	29.4
97.02897	3.9
97.10162	6.7
99.11696	2.3
104.10748	12.0
109.02873	2.2
109.10157	15.3
115.89671	1.7
123.11730	5.4
124.99998	4.4
127.03908	3.6
137.13252	2.6
139.09705	1.5
145.04982	3.8
151.14764	1.9
184.07343	12.3
195.00307	2.8
197.00700	2.3
221.22562	2.1
239.23714	34.6
257.24838	3.3
313.27365	100.0
314.27679	3.3
331.28442	20.0
383.27936	6.6
401.29025	19.1
492.34290	2.0
510.20804	3.4
510.27994	2.6
510.35712	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	511.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82980	0.5
67.60314	0.5
70.06590	5.3
72.08168	2.6
74.06042	0.6
84.04504	1.2
84.08133	2.2
86.09693	2.1
91.50915	0.6
93.35770	0.5
102.05531	0.7
110.07162	2.2
120.08073	1.5
129.10208	1.4
135.03752	0.5
136.07568	1.4
154.69075	0.6
156.07727	0.8
182.54269	0.5
185.04240	2.2
187.03664	1.9
231.16959	0.8
245.03323	0.5
288.22403	0.6
349.08942	100.0
350.09293	2.7
422.11499	0.5
463.66345	0.7
510.26947	0.8
511.14169	30.1
511.19858	1.2
511.26300	1.7
512.14771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82681	0.2
69.52265	0.2
70.06601	0.3
76.88718	0.2
85.02917	0.3
95.01105	0.3
96.01852	0.2
96.08143	0.2
97.02665	0.2
110.36584	0.2
112.01329	0.3
113.02117	0.7
123.04403	0.3
143.69893	0.2
169.04761	0.4
185.04202	1.2
186.06544	0.7
193.34390	0.2
201.03716	0.5
203.05254	1.9
238.61823	0.2
245.06276	2.6
259.05713	0.7
259.08115	1.1
275.07471	0.3
277.06711	0.3
287.07428	0.8
291.08444	0.7
305.08453	0.4
330.24255	0.6
331.10010	0.8
331.24442	0.3
340.51505	0.2
347.09427	4.7
348.25363	0.9
349.12451	1.4
349.25867	0.5
389.02100	0.3
406.26086	0.2
453.14172	0.2
510.30734	1.4
511.17853	100.0
512.18341	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57755	0.7
56.96571	0.7
61.02934	1.1
67.05501	1.0
79.05504	0.9
81.07063	0.9
85.02939	0.9
91.05487	1.1
93.07038	1.5
97.02929	0.9
119.08566	1.0
133.10132	1.1
145.10153	0.9
167.07208	0.7
192.28209	0.8
238.80103	0.7
241.11153	0.8
259.12302	1.1
275.20142	3.9
347.33408	0.8
348.28909	0.9
349.17731	13.5
349.23926	1.7
367.18042	3.7
511.23074	100.0
512.23273	2.3
530.28796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03951	1.8
55.01855	1.4
55.05502	3.7
57.03424	3.5
59.95694	0.9
61.02913	3.4
63.36452	0.9
64.83929	1.0
67.05510	6.1
69.03419	4.5
69.07063	3.4
70.06585	1.3
70.13951	0.9
71.04969	0.9
72.08142	1.6
73.02917	1.8
79.05489	7.1
81.03395	3.6
81.07050	9.0
83.08614	2.1
84.08138	3.7
85.02902	4.0
87.43913	1.0
91.03934	1.2
91.05481	9.7
93.07056	7.3
95.04951	2.8
95.08611	5.1
97.02898	2.6
97.06511	2.4
98.09696	1.5
99.04425	1.6
103.05450	1.1
105.07005	5.5
107.04986	1.6
107.08600	4.1
109.02840	1.4
109.06520	1.9
109.10146	3.3
117.07023	5.9
119.08578	6.2
121.10111	3.4
121.47533	1.1
125.09596	1.4
128.06256	1.5
128.10733	2.1
129.06984	2.6
131.08571	8.9
133.10112	4.2
133.31711	1.0
135.11705	1.7
143.08560	2.0
145.10098	5.9
147.11691	3.7
155.08482	1.3
157.10149	2.1
159.11731	5.2
161.13254	1.7
163.11166	2.2
165.12715	1.1
171.11668	2.0
173.13187	1.7
185.13358	1.4
239.18013	2.5
257.19016	3.4
262.54901	1.1
275.20050	4.1
293.21564	1.0
312.26987	1.2
325.56348	1.1
330.28003	2.1
331.28217	2.3
348.28928	6.9
349.17490	5.8
349.19754	4.8
349.23416	10.0
349.28961	8.8
350.30658	1.4
391.24957	1.3
510.34363	2.1
511.23032	100.0
511.34903	4.0
512.23395	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	511.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26252	0.8
55.05530	1.2
67.05507	3.0
69.03423	2.4
69.07051	1.5
69.20713	1.4
69.21107	4.2
70.06578	1.5
79.05493	2.7
81.03416	2.6
81.07056	5.1
84.08156	1.8
85.02921	1.4
91.05498	2.3
93.07039	3.8
95.04955	0.8
95.08614	2.3
97.02897	1.6
105.07031	3.8
107.08605	2.2
109.02857	1.1
109.10181	1.1
114.20849	0.9
117.06995	1.7
119.08602	1.2
123.07990	1.0
128.10750	1.0
128.61806	1.1
131.08606	1.2
133.10098	2.1
145.10107	1.4
147.11719	1.5
173.04478	0.8
250.49593	0.9
275.20120	2.7
348.29025	1.7
349.17682	15.7
349.23688	1.7
349.29483	2.5
367.17944	1.0
511.23004	100.0
512.23499	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	511.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19092	0.4
57.03429	0.6
67.05498	1.2
69.07043	0.7
69.62475	1.6
70.06582	0.6
71.05012	0.4
72.66267	0.4
79.05488	0.6
81.07050	1.6
83.08617	0.6
85.02904	0.9
91.05463	0.8
93.07067	0.9
95.08624	1.0
97.02918	0.5
98.09735	0.5
98.23463	0.9
105.07006	0.7
107.79427	0.5
109.10162	0.4
110.07145	0.8
111.04214	2.5
121.10229	0.4
123.04372	0.6
127.03910	0.7
137.05844	1.3
138.06348	0.5
147.11577	0.7
181.10176	0.7
182.10489	1.0
185.04124	0.8
213.14955	0.5
261.14642	13.7
349.19855	88.2
350.20163	2.3
423.20038	3.4
511.25076	100.0
512.25183	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	511.2524
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.05515	0.7
64.53004	0.5
65.04275	0.5
67.05495	2.0
69.03447	0.8
69.07102	0.9
70.06579	0.9
71.05012	0.6
79.05488	1.2
81.07053	2.0
83.04963	0.8
85.02901	0.8
86.09740	0.7
91.05499	0.8
93.07057	1.6
95.08600	1.6
97.06523	0.7
100.72375	0.7
105.07006	1.0
107.08585	0.9
109.10145	1.4
110.07137	0.8
117.07040	0.9
119.08571	0.7
121.10164	1.1
123.04441	0.8
127.75951	0.6
133.10214	0.6
137.05782	1.4
140.10785	0.7
145.10101	0.7
152.86295	0.6
157.10059	0.6
213.14912	0.7
296.58820	0.6
346.58057	0.6
349.19870	76.9
350.20230	1.9
420.54807	0.6
428.67102	0.8
474.09351	0.7
511.25079	100.0
512.25507	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85474	0.7
55.05491	1.0
61.53645	0.8
63.22247	0.7
67.05491	2.5
69.03406	0.9
69.07047	0.8
70.06607	0.7
79.05476	1.7
81.03413	0.7
81.07047	2.7
82.15879	0.7
83.05025	0.9
85.02902	1.5
91.05479	1.8
92.35358	0.8
93.07037	1.3
93.38787	0.7
94.60880	0.7
95.08572	1.1
97.02881	0.8
99.08036	0.9
105.07024	1.7
107.08588	2.4
109.06505	1.3
109.10132	1.5
110.07219	0.7
119.08550	1.2
121.10165	0.9
125.09634	0.7
131.08524	1.0
135.07901	0.7
137.05730	2.4
145.10173	0.9
149.13239	0.9
173.11653	0.8
182.10542	1.1
185.04327	1.2
235.12968	1.1
252.15416	0.8
275.20010	1.0
300.82230	0.7
315.50693	0.9
349.19864	84.4
350.20142	1.3
356.85938	0.7
387.88776	0.8
443.48398	0.7
510.30365	1.2
511.25021	100.0
512.25525	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	511.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.05257	0.8
55.05509	13.6
57.03431	6.2
57.07077	4.2
65.05725	0.5
67.05160	0.9
67.05500	11.1
69.07066	20.9
71.08627	3.8
79.05492	5.0
81.07056	12.7
83.08616	12.6
85.06557	0.6
85.10183	1.5
91.05474	1.0
93.07040	6.7
95.08611	14.2
97.06511	2.2
97.10163	6.8
98.01160	0.6
98.98460	26.1
107.08603	4.0
109.10151	5.0
111.08087	1.4
111.11716	2.2
121.10131	7.8
123.11708	1.8
125.09632	1.1
135.11708	4.4
137.13205	0.7
141.27017	0.6
149.13246	2.1
155.01030	14.3
163.14876	0.6
173.02092	2.3
229.04747	1.1
231.54787	0.6
247.05814	1.3
247.24142	0.9
249.59277	0.7
265.25293	3.6
339.28918	100.0
340.29288	2.4
475.28189	7.2
507.85535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61391	2.5
50.66205	2.7
51.30203	3.2
53.03938	4.2
55.01875	5.6
55.05507	7.4
57.03433	21.1
58.06577	4.0
60.04522	3.2
65.01340	2.9
67.05499	14.3
69.03420	10.2
69.07067	20.2
70.06593	38.7
71.04990	9.5
72.08160	10.8
76.48578	2.6
79.05495	6.9
81.03424	16.3
81.07054	16.7
83.04987	7.2
83.08634	8.2
84.04506	2.7
84.08136	4.6
85.02906	70.4
85.06538	5.2
86.09710	19.6
89.52541	2.8
91.05476	6.5
93.07039	11.0
95.08611	10.0
97.02869	25.8
97.06533	10.2
99.04456	32.1
99.08101	7.5
103.03934	77.6
105.07062	4.1
107.08593	13.5
109.02856	14.1
109.10155	51.2
110.07178	9.5
111.08099	6.4
120.08092	8.0
121.08350	2.6
127.03921	82.7
127.11195	46.4
129.10255	3.0
135.11702	16.4
141.12764	3.2
145.04959	50.4
150.54063	3.4
153.12756	45.0
155.14394	7.1
157.09711	5.3
163.06032	54.5
171.13788	100.0
183.61206	3.2
185.09236	3.9
187.06062	4.9
187.10832	4.3
189.14937	4.4
195.13786	4.4
205.07057	4.1
207.01019	3.1
268.12711	6.7
271.08051	6.6
276.93921	2.7
289.09485	4.1
296.06381	5.6
298.17755	5.1
307.10126	18.0
321.56140	2.7
346.65762	3.3
379.37076	3.3
392.08725	3.0
397.24261	7.0
410.09641	5.8
512.25372	26.0
512.33197	5.1
513.23254	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	512.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
58.06590	0.5
60.04523	9.6
66.96833	0.4
67.05515	0.5
69.29529	1.2
69.29937	0.9
70.06590	100.0
71.06933	0.6
72.08154	9.3
79.05524	0.4
81.03406	0.7
81.07066	0.5
84.08140	1.4
85.02888	2.2
86.09704	85.1
87.10062	0.6
93.07053	0.9
96.08150	0.5
97.02880	0.5
97.06524	0.7
98.06061	0.9
98.09751	0.6
99.04446	0.6
100.07635	0.6
103.03961	1.3
107.08600	1.0
109.02873	0.8
110.07127	1.3
111.04397	0.4
114.09157	1.1
115.08681	0.6
116.07084	16.1
120.08110	1.3
121.02825	0.5
126.05537	0.7
127.03913	2.2
129.10287	0.5
135.11696	0.7
137.07094	2.0
139.08679	1.0
145.04961	1.5
153.12733	0.9
155.08163	0.4
157.09717	49.8
163.06026	1.2
167.08153	0.7
171.13748	0.5
181.13222	0.5
183.14937	10.6
185.09210	39.7
185.16486	2.7
187.10780	1.2
211.14384	8.5
213.15967	1.8
215.13930	5.5
222.16037	0.6
229.11903	0.7
250.15540	1.0
252.17152	2.1
266.14850	1.0
270.18091	0.6
280.16525	9.3
284.16046	0.9
295.06030	0.9
296.06326	1.2
298.17596	51.3
299.17770	0.8
310.21185	2.2
322.07697	0.8
350.07437	1.0
350.23251	0.5
352.22229	1.0
369.24966	21.1
370.25040	0.5
379.23376	6.0
392.08221	1.0
397.24457	50.2
398.24548	1.4
410.09500	0.7
425.27191	0.5
428.10089	0.9
446.08990	0.6
494.11301	1.2
512.13055	2.2
512.23462	2.1
512.31348	4.3
533.53027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73023	1.0
57.03437	2.5
61.02923	2.1
67.05494	4.2
69.03440	7.6
70.06589	6.8
71.04993	1.8
73.02910	3.3
73.17240	1.1
80.57078	1.1
81.03415	3.4
81.07059	6.0
85.02903	12.0
87.04449	2.4
95.08614	2.5
95.24151	1.4
96.08121	4.2
97.02888	5.3
98.09705	2.6
99.04475	1.7
106.46901	1.2
109.02886	2.1
109.10181	1.6
110.09668	1.6
114.09185	5.0
123.04430	19.2
127.03927	2.9
136.51544	1.0
145.82298	1.2
149.05974	2.0
163.07619	2.5
189.85420	1.2
199.11064	1.2
201.14926	2.8
208.20590	3.1
332.25812	40.0
333.26321	1.3
350.26846	32.7
361.07584	1.3
494.31281	7.8
512.18329	6.0
512.32153	100.0
513.19348	1.6
513.32434	4.6
534.95563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05481	0.9
57.03395	1.3
58.06570	0.9
61.02891	1.7
62.29797	0.4
63.72272	0.4
67.05500	2.7
69.03424	5.8
69.07034	0.4
69.51852	1.4
70.06597	9.1
71.04961	0.5
73.02873	1.4
79.05474	0.5
81.03378	1.6
81.07055	2.1
82.06561	2.0
83.01308	0.5
83.08592	0.4
84.08151	0.6
85.02909	7.2
85.90656	0.4
87.04429	1.6
93.06973	0.5
95.08605	2.7
96.08135	3.8
97.02901	3.3
97.08356	0.5
97.08906	3.8
98.09649	1.0
99.04443	0.9
103.03899	0.6
109.02832	1.1
109.10117	1.0
110.09686	5.9
111.10440	0.8
114.09184	2.4
123.04433	16.6
124.11202	0.9
127.03912	2.2
137.06003	0.4
138.12773	0.7
145.04980	0.6
149.05841	0.6
152.14264	0.5
154.00510	0.5
163.07587	0.5
174.72015	0.5
194.18953	0.6
208.18716	0.5
208.20618	7.4
220.69168	0.4
222.97867	0.4
250.17995	0.7
272.50909	0.4
273.55325	0.4
316.22437	0.5
331.25070	1.3
332.25833	55.7
333.26175	1.5
349.25833	0.5
350.26892	22.7
351.26874	0.5
374.26959	1.3
494.31323	3.5
512.32196	100.0
513.32611	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	512.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24424	0.3
51.54615	0.3
53.03922	0.5
55.01842	0.3
55.05468	1.2
56.04992	1.1
57.03434	1.9
58.06554	1.4
60.95574	0.3
61.02934	2.2
63.85806	0.3
67.05502	3.7
67.99861	0.3
69.03428	6.2
69.07024	1.0
70.06591	5.8
70.51080	0.3
71.04964	0.7
72.08107	0.8
73.02905	1.8
74.06068	2.2
79.05465	0.7
81.03419	1.6
81.07056	3.4
82.06541	1.1
83.08578	0.6
84.08159	2.4
85.02904	7.7
87.04457	1.6
91.03922	0.8
93.07019	0.4
95.08616	3.4
96.08128	4.2
97.02888	3.8
97.08862	1.4
98.09690	3.0
99.04397	1.0
101.02350	0.6
107.04906	0.8
109.02883	1.5
109.10147	1.9
110.09701	2.9
111.10435	0.4
113.12725	0.3
114.09143	0.9
117.20348	0.3
123.04428	23.6
124.11214	0.5
127.03907	1.9
128.10670	0.3
133.06493	0.3
137.05962	0.8
138.12671	0.4
144.96361	0.3
145.04887	0.6
149.05893	1.2
152.14355	0.5
163.07504	1.3
166.15800	0.4
174.62601	0.4
194.19099	0.4
208.20601	4.9
280.53110	0.3
304.22687	4.4
314.24951	0.4
331.24994	0.6
332.25818	49.3
333.26135	1.8
350.26880	38.0
351.27066	1.1
374.26807	0.9
392.27759	0.6
442.90463	0.4
494.31107	1.5
512.32190	100.0
513.32434	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	512.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01856	2.2
55.05506	4.2
56.05035	1.7
57.03433	7.5
61.02934	1.7
67.05503	14.0
69.03098	1.0
69.03431	6.4
69.07075	7.5
70.06601	1.1
71.05025	1.4
71.46135	1.2
72.08159	6.0
73.02908	1.2
79.05494	11.5
81.03430	2.4
81.07059	14.2
82.23119	1.0
83.08617	1.0
84.08142	1.4
85.02899	9.4
85.06558	1.1
86.09692	1.4
87.04503	1.1
91.05484	10.9
93.07041	9.2
95.04989	2.2
95.08607	12.2
97.02870	6.0
97.06528	7.6
98.09686	26.3
98.10307	1.6
99.04472	1.5
99.08100	6.1
105.07048	7.5
107.08595	6.3
109.02879	1.5
109.10186	3.8
111.08155	1.3
113.09662	3.2
117.07049	1.6
119.08597	7.2
121.10181	2.4
123.11677	1.2
127.03902	2.4
131.08588	2.6
133.10141	4.5
135.11765	1.4
142.12248	14.4
144.10236	1.6
145.10107	2.5
147.11707	1.9
156.13889	1.4
159.11714	1.1
164.55460	1.1
171.11720	1.5
173.13310	1.5
175.14888	1.2
185.47768	1.1
200.56343	1.0
253.14218	1.8
306.80859	1.1
332.29401	10.2
350.30521	100.0
351.21353	19.7
351.25311	1.1
351.31036	2.7
512.26202	2.3
512.35980	63.5
513.26764	24.4
513.36212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2468
Annotation	Bisphenol A glycidylmethacrylate
Peak:m/z	Relative Intensity
67.05503	6.2
69.03439	4.8
69.07079	5.1
69.73095	3.2
70.11800	7.5
77.46672	3.4
79.05486	9.9
81.03439	3.5
81.07072	8.8
85.02915	5.0
86.09714	5.5
91.05486	6.4
91.26254	4.1
93.07061	7.1
95.04958	4.3
95.08578	7.1
97.02884	4.8
105.07056	6.2
112.07616	25.4
131.95703	3.8
132.19756	3.6
142.12292	3.8
144.90784	4.0
147.11716	4.1
149.02206	3.7
157.22208	3.7
183.93054	3.5
214.02896	3.8
215.99550	4.0
242.91695	3.9
277.01523	4.0
301.31769	4.3
341.53122	4.1
350.30701	4.9
351.18732	9.0
351.31015	5.1
352.31879	5.2
513.13660	4.2
513.15393	5.2
513.24066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2675
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
55.07770	0.5
67.05470	1.5
72.08099	0.9
79.05473	0.9
81.07017	2.0
83.50365	0.5
84.47057	0.6
85.02866	0.6
91.05437	1.4
93.07014	1.0
95.08569	1.6
97.02862	0.6
98.09658	2.1
98.10876	0.5
99.09987	0.8
106.07320	0.6
107.08560	1.4
109.10138	1.1
117.06929	0.8
119.08520	0.7
121.10159	0.8
142.12248	0.9
147.11690	0.7
167.52968	0.7
175.65318	0.5
184.49289	0.6
185.04195	1.1
253.14119	5.9
278.73978	0.6
332.28842	0.6
333.29791	0.6
334.31342	0.6
350.30566	3.8
351.21408	81.1
351.30469	5.4
352.21732	1.9
381.09680	0.8
415.19446	2.0
512.35657	1.3
513.26709	100.0
513.35626	5.8
514.27130	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	513.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35273	0.2
57.07088	0.4
62.18676	0.3
67.05500	0.5
69.18838	1.6
69.73915	0.2
79.05526	0.4
88.07601	0.3
95.76075	0.2
145.96973	0.3
165.13577	0.3
185.04193	0.4
203.05275	0.7
224.01619	0.3
256.26501	0.7
259.07944	0.3
283.26239	0.5
351.59906	0.3
463.62753	0.3
470.89777	0.3
512.50220	1.1
513.30341	100.0
514.30658	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3038
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
51.36243	0.2
55.05487	0.2
57.07071	0.3
57.98314	0.2
88.07632	0.3
95.08588	0.3
98.23489	0.6
125.93311	0.2
144.15254	0.2
146.57802	0.2
153.41234	0.2
172.59900	0.2
185.04227	0.4
229.35953	0.2
244.72464	0.2
256.26282	0.3
271.39899	0.2
283.26361	0.4
389.12607	0.2
512.50317	0.5
513.30316	100.0
514.30676	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01888	2.0
55.05514	11.9
57.03431	6.6
57.07069	2.6
57.72990	1.6
61.02929	17.9
65.03924	1.6
67.05503	35.7
67.85639	1.6
69.03432	8.7
69.07067	12.1
69.72987	2.0
69.73309	4.6
71.05001	2.7
73.02902	6.5
75.04470	2.0
77.03932	1.8
79.05494	47.1
81.03417	3.6
81.07053	40.2
83.04976	3.0
83.08612	4.2
85.02914	12.7
85.06528	4.0
91.03955	4.9
91.05479	42.1
93.07043	65.3
95.04967	6.4
95.08604	28.1
97.02892	10.1
97.06532	3.6
97.10182	2.3
98.23423	1.9
99.04442	2.3
99.08107	2.7
101.02441	1.8
105.04555	2.6
105.07030	47.2
107.04958	1.7
107.08587	39.6
107.09261	3.2
109.06506	2.0
109.10133	10.6
111.08105	2.5
117.07013	13.3
119.08580	47.1
119.09416	2.3
121.10143	27.0
123.11707	3.0
127.03921	1.8
129.07007	7.4
131.08560	23.9
133.10126	35.9
135.11690	29.6
141.06987	1.6
142.07671	2.3
143.08559	10.3
145.10133	18.7
147.11682	31.1
149.09624	3.3
149.13257	16.0
157.10114	7.8
159.11726	13.6
161.09651	2.1
161.13252	22.9
163.14853	7.5
169.10197	2.8
169.24925	1.8
171.11687	12.4
173.13219	10.1
175.11110	3.2
175.14830	14.3
177.12785	2.0
185.13257	9.7
189.12764	3.1
195.13751	2.3
199.14844	5.7
213.16394	5.4
215.95454	1.8
217.19405	2.6
231.21133	5.4
241.19504	25.2
259.20581	58.8
277.21692	7.4
333.24234	9.8
349.23593	2.0
351.25281	100.0
352.25577	3.5
367.22598	1.9
375.25354	3.0
385.23544	2.3
403.24893	1.8
441.26291	6.2
459.27295	4.3
477.28586	3.8
495.29532	5.3
513.24866	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02691	1.5
53.03938	2.8
55.01893	1.6
55.05519	12.6
56.31847	1.3
57.03431	5.8
57.07094	2.3
61.02930	13.6
67.05506	23.6
67.98634	1.3
69.03433	5.3
69.07063	10.7
69.21238	8.2
71.04985	2.0
73.02937	4.1
77.03912	2.0
79.05503	37.2
81.03432	3.4
81.07060	33.3
83.04973	3.3
83.08604	4.3
85.02901	13.2
85.06562	2.4
87.84516	1.4
91.03957	4.9
91.05483	40.2
91.06056	2.1
93.07047	42.9
95.04967	6.0
95.08611	23.6
97.02885	10.7
97.06501	3.5
97.10148	2.6
99.04480	1.6
99.08106	3.2
105.04526	2.3
105.07034	44.5
105.60164	1.6
107.08596	29.5
109.06528	3.2
109.10145	6.4
117.07022	12.9
119.08585	40.6
121.06512	2.0
121.10147	21.8
123.08035	2.0
123.11749	3.0
124.93349	1.5
127.03922	2.7
129.07013	8.7
131.08562	18.3
133.10130	32.3
134.51093	1.6
135.08080	1.9
135.10725	3.0
135.11694	23.4
137.07056	1.4
143.08583	8.2
145.04991	1.8
145.10133	20.4
147.11694	33.8
149.09662	3.1
149.13263	9.6
155.08496	2.0
157.10141	7.1
159.11703	19.2
161.13261	30.1
163.11124	3.4
163.14810	4.5
163.78273	1.7
169.10197	2.3
171.11673	12.8
173.13205	10.3
175.11189	2.8
175.14819	12.7
181.10075	1.9
183.11720	2.6
185.13258	13.3
187.14864	4.4
189.12758	2.7
199.14861	6.7
209.09506	1.5
213.16350	2.9
217.19420	2.9
231.17583	2.0
231.21106	5.3
241.19522	22.5
257.18924	3.1
259.20590	65.5
271.20609	2.9
275.20123	2.2
277.21545	3.7
301.21643	4.4
325.21979	1.9
333.24249	2.3
349.23837	2.4
351.25305	100.0
363.25351	2.6
367.22653	3.4
375.25415	3.2
385.23724	2.7
403.24524	3.6
410.93573	1.5
417.26547	2.9
421.25836	2.6
429.26416	2.7
441.26428	5.7
459.27234	4.9
477.28442	4.7
479.63455	1.8
495.29416	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	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03925	2.1
53.04165	1.5
55.05523	9.3
57.02760	1.8
57.03427	6.0
57.07072	3.9
61.02925	17.2
67.05504	22.7
67.74482	1.9
69.03419	5.0
69.07066	8.8
71.04984	2.0
73.02919	4.7
79.05498	34.3
81.03410	3.2
81.07059	24.9
83.04960	1.6
83.08613	3.1
85.02910	12.1
91.03967	8.2
91.05480	27.5
93.07044	43.9
95.04948	6.1
95.08605	22.7
97.02919	8.1
97.06537	4.4
99.08082	2.2
105.07034	32.0
107.04880	1.7
107.08598	27.2
109.02824	2.1
109.06551	2.2
109.10184	9.1
117.07036	9.7
119.08590	35.5
121.10161	24.1
123.08131	1.8
123.11712	3.9
128.06253	1.8
129.06995	5.6
131.08569	15.4
133.10117	25.2
135.08037	2.1
135.11700	22.3
137.09598	2.8
142.07762	2.1
143.08594	8.7
145.10149	16.4
147.11690	26.8
149.09607	1.8
149.13242	15.6
157.10081	6.0
159.11693	12.0
161.13271	21.3
163.14828	5.3
171.11671	6.8
173.13318	7.7
173.71342	1.7
174.23734	1.8
175.11234	3.3
175.14818	12.4
177.12726	2.0
183.11658	3.4
185.13266	7.4
187.14827	3.5
189.12727	2.9
199.14763	4.2
201.16296	1.8
213.16364	2.8
217.19560	2.8
231.21031	3.3
241.19540	21.8
259.20587	51.9
277.21597	7.2
333.24265	7.7
349.23721	3.7
351.25320	100.0
352.25632	3.2
363.25186	2.0
367.22659	2.6
375.25342	3.4
385.24133	2.1
413.57693	1.6
417.26364	3.3
441.26328	7.6
455.90756	1.7
459.27103	4.0
477.28210	3.8
495.29541	7.3
513.24524	34.6
513.30908	2.3
530.23309	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01878	5.1
55.05504	9.2
57.03436	7.1
60.94556	3.4
61.02927	12.1
65.57134	2.7
67.05508	28.1
69.03421	6.8
69.07070	10.5
73.02905	4.6
79.05494	37.4
81.03407	4.5
81.07062	30.3
83.08606	7.0
85.02919	13.9
85.06573	4.7
90.60425	2.6
91.03963	6.6
91.05475	32.7
92.26736	3.8
92.46346	2.7
93.07049	41.7
95.04987	9.3
95.08622	19.4
97.02900	13.4
97.06516	3.6
105.07030	38.6
107.08584	24.5
109.06512	6.0
109.10171	7.9
117.07029	11.7
119.08591	35.4
121.10155	24.8
123.11811	3.5
127.03985	4.5
128.06142	3.8
129.06993	8.8
129.76297	2.9
131.08554	20.7
133.10147	33.2
135.08115	3.6
135.11699	16.8
139.28806	3.5
143.08589	6.6
145.10121	20.7
147.11694	24.5
149.09677	3.1
149.13286	12.2
157.10130	7.4
159.11667	17.9
161.13277	25.4
163.11194	4.5
163.14819	3.6
169.10097	3.8
171.11720	15.2
173.13293	9.5
175.14859	9.5
185.13304	8.1
187.14803	5.1
199.14803	5.1
231.21159	5.2
241.19496	25.2
259.20618	55.7
281.73416	3.1
296.59360	2.9
351.25293	100.0
367.65894	3.0
375.25287	4.3
385.23404	4.1
399.83273	3.8
417.26147	3.7
441.26367	10.9
459.27094	3.8
477.28418	4.6
491.71078	3.3
495.29581	7.4
513.23926	9.6
513.34827	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81739	0.5
55.01851	0.5
55.05475	1.3
58.06598	3.0
59.98598	0.5
68.04990	1.0
70.06595	16.6
70.06952	0.7
70.86651	0.5
72.08157	24.2
72.08523	0.9
75.09222	0.7
81.50640	0.7
82.06578	18.1
84.04465	1.0
84.08147	14.7
85.02882	1.1
85.07636	1.0
86.06033	0.7
86.09698	3.5
91.05411	1.0
95.08569	0.8
95.10548	0.5
96.04426	1.8
97.07609	0.7
98.05997	1.7
98.09647	0.9
101.07087	1.5
110.07134	1.4
110.08979	0.7
110.09682	10.4
112.03928	0.8
112.11258	9.1
113.07075	2.2
116.06985	0.5
119.04899	0.7
120.08074	0.7
123.48377	0.5
124.07603	3.3
127.08640	0.8
129.13913	3.6
133.02020	0.5
133.02844	4.2
136.07561	1.2
137.06012	4.3
137.09512	0.9
138.11539	0.6
139.05399	2.2
140.03357	0.6
141.10168	2.1
143.04863	0.8
145.02766	0.9
146.16455	1.8
147.04369	0.9
147.41580	0.5
149.05891	1.0
151.03903	0.8
153.05429	0.5
153.10239	2.9
155.10675	0.8
155.11743	4.0
157.02750	0.8
158.05952	0.6
161.05971	3.4
165.05392	0.7
167.04773	0.7
167.08141	1.6
168.06519	2.6
172.14415	1.1
175.03868	0.9
175.07518	1.4
177.05437	1.6
181.13327	1.0
183.04379	0.7
184.05170	2.4
185.02335	2.5
185.09200	1.0
186.05489	0.7
189.05405	2.1
195.04417	7.5
198.06816	0.6
198.12302	1.6
199.07632	2.7
201.05473	5.4
202.08617	1.9
209.12886	1.3
211.03897	0.9
211.14355	0.6
212.04669	9.4
212.17575	1.3
213.05377	2.1
215.13895	1.6
216.07904	0.8
217.04907	2.8
218.08141	3.0
227.07053	2.5
229.04965	15.9
230.08031	3.5
232.09581	1.2
233.05908	1.1
237.09116	1.3
238.13084	3.1
238.15488	6.5
239.13858	2.5
243.08730	0.9
244.07307	3.8
246.07651	1.8
255.15788	2.3
256.16550	1.4
258.11270	7.5
259.09656	100.0
260.09973	2.3
260.12592	1.1
263.07004	0.6
265.08527	2.0
272.12823	1.3
273.12268	0.7
274.10797	2.9
284.06750	0.8
286.10690	1.0
288.12402	3.1
291.06546	0.7
291.13394	0.6
293.07986	0.8
300.12250	0.9
303.13596	1.1
311.05450	1.5
323.09143	1.5
325.10602	1.6
329.15121	0.7
343.16632	1.6
354.18161	1.6
355.16821	0.7
372.19180	37.6
373.19269	0.6
382.16583	1.4
395.07779	1.0
413.08835	1.2
425.17218	1.5
468.24866	1.1
470.26477	0.8
478.23346	1.6
496.24432	48.4
497.24051	1.9
514.25568	35.9
515.25903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88416	0.3
55.05512	1.2
56.05033	0.5
58.06606	5.3
60.04524	0.6
63.34489	0.4
69.11849	1.9
70.06593	18.8
71.06912	0.4
72.08156	21.6
74.06079	0.8
84.04518	1.4
84.08147	18.7
85.02885	0.4
85.07666	0.9
86.09708	1.5
87.05620	0.4
98.06061	0.8
101.07144	0.6
101.32443	0.3
102.05557	0.4
110.06073	0.6
110.07188	1.5
110.09676	0.5
112.04044	0.4
112.11244	28.3
113.07143	0.5
113.11639	0.4
113.22976	0.3
116.07104	1.4
120.08167	0.3
123.04469	0.5
127.07519	0.4
129.10204	1.7
129.13881	11.0
129.14799	0.6
136.07594	1.3
137.05911	1.7
141.03391	0.5
147.11285	0.7
155.08252	0.5
155.11809	1.1
157.09775	0.4
171.15018	0.5
173.08109	0.8
183.07643	0.4
183.14969	0.8
185.09288	0.4
191.06996	0.3
193.08636	0.3
198.12427	0.4
200.07097	1.1
201.05371	10.7
205.06418	0.7
211.14375	0.4
213.12341	7.4
215.13989	1.3
217.11856	0.8
219.07973	0.5
220.05232	0.9
222.06741	0.6
235.07549	3.4
237.09154	2.3
247.07539	0.6
248.04779	0.7
250.06319	0.8
256.06055	3.5
257.12961	1.1
258.11472	0.7
263.07065	7.3
264.07767	0.5
265.05075	0.9
265.08627	4.2
277.08655	0.4
280.07379	2.5
282.08804	0.9
283.10687	2.6
284.09189	0.8
291.06509	7.3
295.09714	1.0
296.10495	0.6
297.11102	1.8
298.10867	0.8
298.17447	0.5
304.15152	0.7
307.09702	0.5
308.06873	1.3
309.11029	0.6
313.10861	1.2
323.09143	22.7
324.09555	0.7
349.11810	0.5
355.16583	0.5
363.13348	0.9
364.14352	1.7
372.19327	0.4
379.16507	0.8
380.14948	4.9
381.18225	0.8
382.16461	0.6
392.13605	0.6
394.16541	0.7
407.15958	5.3
408.14413	3.9
422.15833	0.8
425.17056	17.6
426.17325	0.8
478.23248	0.4
479.21820	6.2
496.24423	100.0
497.24835	4.0
514.25232	11.4
515.26086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
56.05023	1.5
58.06604	7.6
65.58955	0.7
68.39909	0.6
69.03432	1.2
70.06595	26.0
71.02572	1.0
72.08160	30.4
75.11650	0.7
82.06594	3.5
84.04505	2.2
84.08146	27.5
85.02879	0.9
86.06075	1.2
86.09712	8.3
91.05476	0.9
91.99045	0.6
98.06060	6.9
98.08419	1.1
98.09672	1.5
98.22596	0.6
101.07126	1.1
101.10711	0.6
102.05549	1.2
105.76414	0.6
110.07157	1.6
110.09689	2.7
112.08733	1.6
112.11244	30.6
112.12026	1.5
113.00459	0.8
113.07121	7.8
115.05482	1.1
115.08680	1.6
116.07059	1.3
124.90133	0.7
127.08679	1.8
129.10262	1.8
129.13885	8.7
131.04869	0.9
133.02846	2.6
137.05978	15.0
141.10187	0.9
143.04915	1.7
146.16583	0.7
147.09172	0.8
152.07111	0.8
155.08110	1.0
155.10626	1.3
155.11781	12.6
156.07668	0.8
160.05151	0.9
161.05977	1.3
172.14462	1.5
173.09254	1.4
175.07491	2.4
175.08775	0.8
177.06981	0.8
185.02316	1.1
189.05536	1.0
191.09473	0.8
194.07420	0.7
195.04326	0.7
197.12621	0.7
198.12363	9.2
201.05399	6.4
201.08479	0.8
201.10268	1.6
203.07043	1.4
205.06569	2.1
206.11789	3.0
212.04691	1.7
215.13945	8.1
217.04997	1.4
218.08070	1.4
219.07751	1.2
222.06766	1.8
229.04886	2.2
230.08229	1.1
231.11302	1.1
232.11975	2.5
233.05948	3.2
234.06712	0.9
237.09062	8.1
238.15395	1.0
245.04407	0.7
246.07588	2.1
246.13651	1.0
247.07501	0.8
247.14400	5.0
248.12727	0.9
250.06200	2.4
256.13181	0.9
257.12955	0.9
258.11292	1.5
259.09662	18.6
263.07047	1.2
265.08588	13.1
267.09875	0.9
273.12329	3.0
274.10788	3.8
276.11090	0.8
282.08896	1.2
288.12350	0.8
291.13397	9.4
293.07907	1.7
297.11111	4.3
303.13519	0.9
307.09595	0.9
323.09161	2.9
325.10651	7.3
345.17972	1.2
353.13416	3.5
354.18484	0.8
362.20770	5.4
372.19156	5.2
381.17996	1.5
382.16583	4.6
390.20166	5.3
407.15817	1.4
408.14651	1.3
425.16940	4.8
443.18204	1.1
479.22000	1.0
496.24420	45.2
497.24469	1.8
514.25342	100.0
514.80292	1.1
515.19208	1.5
515.25787	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	1.4
55.05501	1.7
57.03435	4.1
59.04986	1.0
61.02933	5.7
69.03423	11.0
69.07071	6.0
69.17171	4.8
70.06580	1.3
70.70153	0.7
71.04981	1.9
71.08629	49.2
72.08173	0.7
73.02901	2.4
79.05489	1.1
81.03418	5.3
81.07039	1.0
82.06581	0.9
84.08143	1.8
85.02902	60.4
86.09711	1.2
87.04485	1.0
91.03948	2.6
92.36160	0.6
95.70740	0.6
97.02893	17.1
98.22595	1.3
99.04469	2.9
99.08091	100.0
100.08385	0.8
103.03902	1.3
104.12193	0.7
108.08095	0.7
109.02882	5.3
110.09676	4.4
119.08569	0.7
127.03913	15.5
128.10715	28.9
129.12756	11.1
133.10201	0.7
141.27043	0.7
143.56798	0.8
143.84125	0.8
145.04951	21.3
155.08548	5.7
155.14313	3.1
163.06007	10.1
165.12798	0.8
173.15369	84.7
174.15685	1.0
191.14291	1.3
197.77562	0.7
209.15329	2.1
214.96780	0.7
334.27328	2.5
352.28418	1.2
396.99921	0.8
464.82602	0.7
514.26776	1.6
514.33856	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	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
58.06592	3.0
59.04999	1.1
61.02913	2.6
67.05500	1.5
69.03416	4.8
69.07052	4.9
70.06590	2.3
71.04961	0.8
71.08631	47.9
72.08167	4.7
73.02919	2.1
77.65803	0.8
79.05508	1.2
81.03426	2.3
81.07030	1.7
81.70100	1.0
81.76440	0.9
84.08138	4.2
85.02905	29.0
86.09688	2.5
91.03969	1.3
91.05460	1.8
93.07056	1.9
95.08578	1.9
97.02889	6.3
97.06507	1.3
99.04465	1.1
99.08094	100.0
102.91676	0.9
103.03933	1.2
105.07025	1.3
109.02873	1.5
109.10164	0.9
110.09681	3.6
114.09190	1.1
117.07014	1.3
121.62270	1.0
127.03899	8.5
128.10722	23.2
128.11606	1.7
129.12759	10.8
133.10132	1.9
137.25528	0.9
142.60576	0.9
145.04955	16.0
145.10086	1.3
155.14304	2.4
163.06009	9.7
164.07082	1.6
173.15376	72.8
191.14279	1.4
196.09650	1.6
198.60036	0.9
200.57977	0.8
229.15472	1.0
259.09711	1.1
290.15814	1.2
291.88275	0.9
316.26529	0.9
325.11472	2.0
334.27365	4.6
352.24680	2.8
352.28409	2.6
514.20215	2.5
514.34534	8.9
515.20721	1.2
515.28070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07420	0.4
55.05511	2.9
58.06598	1.1
69.07072	0.5
69.24857	1.4
69.25251	0.8
70.06595	100.0
71.06927	0.5
72.08159	28.0
82.06573	1.1
84.04512	3.8
84.08146	4.8
85.02901	1.1
86.06066	0.5
86.09721	3.7
91.05481	1.4
93.07067	0.7
98.06057	1.0
102.05555	7.1
105.03406	0.7
108.31355	0.5
110.06067	1.3
110.07179	0.7
110.09611	0.7
112.08723	0.6
112.11255	4.3
113.07128	2.0
115.08691	0.8
116.07111	0.9
116.63593	0.5
119.04947	2.4
120.08136	0.5
121.06569	0.4
127.08667	1.1
128.07048	0.8
129.10251	1.2
129.13902	0.9
133.02858	18.0
133.03880	1.0
134.03221	0.5
134.70921	0.5
135.04398	0.6
137.05992	4.0
145.02855	1.9
147.04422	1.3
149.05986	3.1
150.06770	1.0
153.10193	0.6
155.08170	5.8
155.10681	0.9
155.11801	4.2
161.06004	1.1
165.05492	2.2
169.13367	3.4
172.14421	2.1
173.09227	10.3
173.11650	0.6
175.03938	3.5
175.07440	0.6
175.11940	0.5
177.05502	2.8
183.07654	3.4
191.20305	0.5
197.12917	1.3
198.12355	2.4
201.05528	1.9
201.08694	10.6
205.06531	0.8
206.11746	0.5
215.13919	87.8
216.14302	1.0
233.05960	1.2
237.09062	0.9
249.05502	0.6
254.15094	1.1
258.11139	0.6
259.09677	4.1
261.05527	0.6
265.08591	1.4
268.16663	0.5
272.16019	0.5
282.14587	1.0
291.13260	0.9
300.15530	2.3
307.09650	0.6
314.20441	2.2
323.09277	0.8
325.10632	5.5
334.16705	0.6
362.20636	0.9
372.19125	1.3
382.16641	0.9
390.20367	1.4
425.16980	0.6
438.46204	0.5
451.95871	0.5
478.11206	0.5
496.24432	16.2
497.24295	0.6
514.25275	19.6
515.26141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05026	1.8
57.03438	2.2
58.06602	13.7
67.05505	2.4
69.07090	1.3
70.06580	1.2
71.10051	1.3
72.04505	1.7
72.08163	8.6
74.06068	1.1
77.58656	0.9
79.05502	3.3
81.07055	2.8
82.06567	1.6
84.08160	1.9
91.05486	4.6
93.07054	3.6
95.08613	2.4
96.39655	0.9
97.06544	3.8
98.09689	16.1
98.10225	1.3
99.08127	1.3
105.07027	2.5
107.08615	2.1
110.09701	7.0
111.08097	1.8
115.07487	1.0
117.07056	1.7
118.06569	1.2
119.08644	1.3
120.18382	1.0
128.10716	44.9
130.06560	3.9
131.08611	2.1
132.08083	2.6
133.10191	1.2
135.08073	2.4
142.06647	1.0
142.12271	7.0
144.08101	2.6
145.10147	2.0
146.05992	9.7
146.07034	1.1
159.09190	13.1
159.10300	1.2
170.06030	1.3
174.30133	1.0
175.08582	1.2
188.07050	24.7
188.08612	1.4
205.09749	4.5
247.07494	0.8
262.42355	0.9
292.23007	1.1
310.23737	4.6
328.24673	5.2
492.75317	1.2
496.31549	4.7
514.32928	100.0
515.33209	4.2
543.64246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	24.2
55.05506	2.5
57.07075	2.2
62.28154	1.1
67.05503	9.5
68.05028	13.8
69.05817	1.3
69.07061	3.7
70.02952	2.2
70.06588	6.0
71.04989	10.3
71.08617	1.1
71.11961	1.3
79.05495	5.3
80.05021	3.9
80.15347	1.0
81.07055	9.2
83.04972	1.8
83.08617	1.3
88.07613	1.1
91.05476	2.6
93.05791	1.5
93.07038	3.1
94.06564	4.5
95.04961	2.5
95.08601	2.2
96.08124	3.3
97.06522	8.2
98.09677	4.6
98.13112	1.0
98.98450	0.9
99.08079	1.1
105.07019	2.3
106.06550	9.0
107.08614	2.1
108.08147	4.7
109.06510	1.9
109.10159	3.9
117.07023	1.3
118.06543	3.0
119.08553	2.2
120.04500	1.7
120.08111	4.4
122.06023	66.9
124.07578	16.1
133.08691	1.0
133.10139	1.2
134.05978	2.9
134.09663	3.0
136.07564	19.9
136.11205	1.2
140.07045	13.4
146.09666	1.1
148.07553	2.2
148.11156	2.5
152.07077	3.8
153.07825	2.0
176.14333	27.9
186.12657	1.5
194.15390	3.2
204.13821	37.5
222.14879	73.2
237.30450	1.0
270.76144	1.0
275.20038	3.2
283.26071	1.1
311.25745	3.4
331.62051	1.0
375.25616	1.0
447.24716	1.1
496.34195	100.0
497.34622	3.8
513.50562	3.5
514.35663	1.4
514.50928	2.2
515.31970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01868	0.6
55.05513	2.7
58.06596	1.1
61.02921	0.7
67.05492	2.8
69.03420	10.3
69.07060	2.8
69.28047	0.7
69.28333	2.9
70.06595	1.4
71.04991	1.4
72.08160	0.7
77.03923	0.9
79.05486	6.9
81.03409	3.0
81.07056	10.0
83.04990	2.8
83.08598	1.1
84.08141	1.3
85.02905	15.0
85.06577	0.7
86.09687	1.1
91.05470	6.4
93.07033	4.6
95.04952	1.8
95.08627	2.8
97.02896	5.8
97.06554	1.0
98.22614	0.6
99.04455	7.4
103.03947	16.7
105.07023	8.8
107.04944	7.0
107.08595	24.7
109.02882	4.0
109.06524	5.8
109.10165	5.6
110.09660	1.9
115.05449	1.7
117.07014	1.7
118.89589	0.6
119.08604	3.9
121.06469	2.8
121.10142	11.0
122.07261	4.5
123.08079	1.4
127.03912	21.2
128.10709	7.5
129.11035	2.9
129.98781	0.6
131.07155	0.6
131.08557	3.4
133.10127	100.0
134.10425	1.4
135.08044	9.4
135.11687	1.5
137.09610	51.0
143.08524	0.7
145.04942	13.5
145.10100	1.7
147.11662	3.2
149.09601	2.5
149.13261	9.6
151.11176	2.6
155.08600	3.3
156.08891	2.7
158.10895	2.1
163.06023	9.9
163.14815	2.7
165.12752	4.7
173.13271	8.4
187.06023	1.9
191.14304	87.4
192.14601	1.8
205.07098	1.6
209.07964	0.9
209.15364	15.6
237.77811	0.6
260.30173	0.6
271.08130	1.4
289.09235	1.1
307.10239	1.3
335.18503	0.7
472.31540	2.5
472.81583	2.4
515.20227	3.2
515.27942	1.1
515.34247	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	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33165	1.7
71.69697	0.3
185.04184	0.4
238.94881	0.4
257.26337	0.4
339.51761	0.3
497.95251	0.3
515.31927	100.0
516.32135	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63200	0.4
69.63970	0.7
69.64336	1.0
86.94616	0.5
89.83090	0.4
195.69005	0.4
203.05313	0.6
506.17575	0.5
515.31921	100.0
516.32306	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.3
55.05501	17.5
57.03428	10.2
57.07074	8.5
67.05506	96.5
69.07074	19.1
72.51367	3.3
74.45362	3.4
79.05491	48.6
81.07057	91.4
83.04944	3.2
83.08622	8.7
85.06562	5.7
91.05495	29.3
93.07047	64.7
95.04967	7.9
95.08015	7.0
95.08607	85.0
97.02894	5.6
97.10153	4.6
99.08134	5.0
104.10696	4.4
105.07027	23.3
107.08598	44.4
109.06492	4.3
109.10164	39.3
117.07023	12.4
118.61755	3.3
119.08591	19.5
121.10146	39.0
123.11712	21.2
127.11115	4.1
131.08574	29.6
133.10152	20.8
135.11700	33.7
137.13234	9.0
145.10126	17.3
147.11703	14.8
149.13261	19.1
151.11194	5.0
159.11682	17.5
161.13274	12.3
163.14854	16.2
165.12865	3.5
173.13283	16.5
177.16444	6.9
187.14854	8.3
191.24193	3.6
201.16261	3.0
219.17538	4.6
226.10829	3.8
243.21078	31.5
261.22125	100.0
279.23212	3.9
335.25851	31.5
353.26984	24.0
497.31265	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74963	2.0
55.05511	18.9
57.03428	4.2
57.07063	4.0
59.74780	2.5
61.02930	2.9
61.56313	2.4
65.03951	2.5
67.05505	82.5
69.03423	3.1
69.07065	18.1
70.52012	3.3
71.05012	2.3
71.08643	3.7
79.05495	51.9
81.03414	2.6
81.07057	89.9
83.08606	7.8
91.05480	32.7
93.07044	75.9
95.04973	4.5
95.08607	64.7
97.06554	3.7
97.10170	4.6
99.08131	3.9
105.07029	22.1
107.08596	41.4
109.06538	2.4
109.10158	35.5
117.07040	11.4
119.08562	16.2
121.10147	42.5
123.08069	4.7
123.11713	19.6
125.09608	2.6
129.07074	2.6
131.08553	27.0
132.97354	2.3
133.10126	17.8
135.11694	33.4
136.93166	3.2
137.09674	4.3
137.13287	8.1
139.11240	2.5
145.10153	17.2
147.11703	15.8
149.13260	25.7
151.14862	3.7
154.94189	5.6
159.11697	19.3
161.13287	14.3
163.14772	16.8
165.12823	4.0
172.95262	5.7
173.13266	23.9
175.14851	4.1
177.16408	6.4
180.78029	2.4
187.14853	9.1
201.16418	3.2
228.97919	4.4
229.48328	2.6
233.22575	4.9
243.21063	29.4
261.22137	100.0
279.23322	3.8
287.72894	2.1
294.06274	2.3
335.25763	15.1
351.24261	2.5
353.26791	20.5
387.25269	3.4
469.09399	2.4
473.20016	15.2
516.24896	3.6
533.73297	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.05516	22.9
57.03434	9.0
57.07085	3.8
61.02923	4.3
67.05505	84.8
69.03443	6.2
69.07056	18.4
70.71057	4.3
70.71398	3.4
71.04989	5.4
77.93587	3.6
79.05489	62.9
81.03423	7.1
81.07056	100.0
83.04958	8.2
83.08627	6.9
85.02932	8.7
85.06577	4.9
91.05477	40.2
93.07044	68.1
95.04981	14.9
95.08610	78.2
97.06534	7.8
99.08105	4.9
104.10757	10.9
105.07046	35.3
107.08593	48.7
109.06525	7.5
109.10152	38.0
117.07039	15.4
119.08564	33.7
121.10121	31.3
123.08161	4.0
123.11711	17.9
124.93563	3.2
129.07048	6.4
131.08554	28.1
133.10153	17.2
135.11705	25.7
137.13268	8.8
143.08595	4.4
145.06499	3.8
145.10135	23.8
147.11671	19.1
149.09615	4.7
149.12175	5.2
149.13211	22.9
159.11671	19.1
161.13307	13.0
163.11105	3.3
163.14841	19.8
165.12753	6.4
173.13232	17.4
175.14854	9.0
177.12631	4.3
177.16338	8.3
184.07397	7.3
185.13193	5.1
187.14845	12.5
201.16307	3.8
235.36696	3.5
243.21030	27.6
261.22122	99.6
279.23199	5.5
314.98337	3.5
335.25769	13.6
353.26886	15.2
449.20889	3.5
515.24652	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24984	1.9
53.03955	3.2
55.05515	16.4
57.03430	8.7
57.07075	3.5
61.02928	5.1
61.36489	2.0
67.05505	83.9
67.58266	2.2
69.03416	5.6
69.07074	15.5
69.86835	6.1
71.05009	4.8
73.02902	2.9
79.05492	48.3
81.03403	4.4
81.07056	100.0
82.13063	1.9
83.04983	3.6
83.08627	11.1
85.02923	3.2
85.06557	2.9
86.09721	11.8
91.03980	3.4
91.05478	32.5
93.07046	61.8
95.04964	5.3
95.08610	62.7
97.02904	2.6
97.06541	3.1
97.10154	3.0
98.22798	2.8
99.08103	3.5
104.10756	12.2
105.04507	2.8
105.07024	23.4
107.08600	40.8
109.02926	2.4
109.06500	7.4
109.10159	29.2
111.08067	3.5
111.11759	2.2
117.07027	13.0
119.08578	21.9
121.10147	29.2
123.08091	2.8
123.11690	16.6
124.99986	5.9
127.03962	2.2
129.06996	3.5
131.08562	20.9
133.10129	15.5
135.07985	2.7
135.11691	27.4
137.13261	9.9
143.08542	2.8
145.10120	19.6
147.11699	11.0
149.09677	3.0
149.13254	14.3
157.10023	3.3
159.11688	17.1
161.13307	13.2
162.41245	2.6
163.14783	12.4
173.13293	15.3
175.14868	5.5
177.16371	6.1
179.14325	2.4
184.07333	16.5
187.14844	4.7
205.15794	2.7
243.21088	24.4
247.40799	2.3
261.22150	71.7
279.23169	2.8
301.21774	2.3
303.23129	2.9
335.25766	25.2
345.24243	4.4
353.26953	14.9
419.27911	3.6
461.28830	4.4
497.30789	6.2
515.26239	24.4
516.31439	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	516.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
58.06571	0.8
69.99004	1.4
69.99342	0.7
70.06593	100.0
71.06930	1.0
72.08163	4.5
74.06087	2.1
83.06114	0.8
84.04515	3.1
84.08144	2.9
86.09710	3.3
98.23425	1.0
102.05531	1.4
109.02246	0.6
110.07158	1.1
112.07607	86.9
129.10245	1.9
130.04964	1.0
135.00272	1.9
140.07066	59.8
148.06032	1.6
157.08479	1.1
157.09734	16.4
157.10988	1.3
165.01346	1.0
184.10776	0.7
224.95316	0.6
232.42224	0.6
240.13403	5.3
249.10872	3.3
268.12924	22.7
323.17053	1.1
325.15244	1.7
341.18173	2.3
351.16403	2.2
352.15125	1.0
369.17645	8.3
480.20688	2.3
481.19336	4.9
498.21927	17.1
516.32312	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	516.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05504	0.4
56.05032	1.2
57.03444	1.3
58.06597	0.8
61.02940	0.3
64.36771	0.2
67.05498	1.1
69.03442	1.3
69.07066	5.1
70.06589	0.9
71.04987	0.5
72.08154	1.4
74.06080	3.0
79.05495	1.2
81.03438	0.6
81.07065	1.4
83.04974	0.4
84.08140	0.6
85.02910	2.0
85.06535	0.5
85.08957	0.3
85.38031	0.2
86.09706	100.0
87.10017	0.6
91.05476	1.9
93.07048	1.5
95.04962	0.5
95.08614	1.2
97.02896	0.6
97.06515	1.3
98.06058	0.9
98.09694	3.6
99.04462	0.3
99.08084	0.7
102.09196	0.3
105.07026	1.7
107.08611	0.8
109.02863	0.3
109.06493	0.3
113.09636	0.5
114.09173	0.3
115.07534	0.4
116.07100	1.0
117.07016	0.6
119.08575	1.9
120.08121	0.3
121.10175	0.5
124.11192	0.3
126.05512	5.0
130.08696	0.3
131.08568	0.7
133.10129	1.0
135.08073	0.3
137.09621	0.2
142.12277	2.7
143.08575	0.5
144.06589	0.5
145.10143	0.6
147.11662	0.3
157.13354	4.4
159.11725	0.5
161.09641	0.8
183.12006	0.3
185.12845	4.9
187.14595	0.4
189.12344	2.5
195.11395	0.4
211.14404	1.1
239.13898	21.3
240.14218	0.3
257.14954	16.6
258.15311	0.3
260.16037	1.8
287.48972	0.3
298.21359	0.5
300.19360	1.6
328.18655	36.6
329.18973	0.7
331.24069	0.2
336.25247	1.5
354.26385	16.0
355.26755	0.5
373.24533	0.5
441.26971	1.8
516.31604	16.0
517.22461	0.9
517.31628	0.3
532.03174	0.3
535.04266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05038	2.1
57.03440	0.4
57.05813	0.3
58.06598	30.4
67.05502	1.6
69.03433	0.3
69.07079	1.5
69.72739	1.3
70.06587	1.7
72.08150	2.8
79.05491	2.2
81.03381	0.3
81.07050	1.7
82.06580	0.5
84.08144	0.7
86.06102	0.4
86.09685	0.4
88.07655	0.6
91.05481	1.6
91.34818	0.3
93.07047	1.3
94.06580	0.4
94.86402	0.3
95.04967	0.8
95.08607	1.1
96.08107	0.6
97.06535	0.6
98.09713	0.9
100.07632	1.1
105.07041	1.2
107.08601	0.9
108.08125	1.2
110.09684	1.7
117.07025	0.8
118.06571	1.0
118.08654	0.3
119.08595	0.8
122.09713	0.6
123.08112	0.4
124.11191	0.4
125.05994	0.5
126.09178	0.7
128.10747	0.8
130.06516	1.9
131.08592	1.2
132.08105	2.7
133.10149	0.7
135.11739	0.5
136.11212	3.3
137.09676	0.3
143.07086	0.8
143.08588	0.4
144.08096	3.2
144.10156	1.6
145.10066	0.7
146.05992	5.8
147.11694	0.4
149.09706	0.3
152.10733	1.5
154.12286	0.7
159.09169	8.2
159.11751	0.5
160.07596	0.5
161.09578	0.3
170.06012	1.2
170.11797	0.3
173.13232	0.5
188.07065	12.7
205.09763	1.6
242.17395	0.6
250.21681	0.4
268.22858	1.3
276.19519	1.8
293.22086	0.4
294.20639	4.8
311.23224	1.0
312.21677	5.3
329.24316	1.2
330.22729	13.5
462.87296	0.3
470.30084	0.4
480.28574	2.6
498.29761	2.7
516.30676	100.0
517.22565	2.0
517.30908	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	516.309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06621	1.4
60.08164	18.1
60.23962	0.9
62.75283	1.0
70.61052	1.8
71.07375	4.7
71.20258	1.0
72.87661	1.1
79.05489	1.4
80.94844	2.3
86.09702	51.3
91.05457	1.7
94.67701	1.1
98.98470	4.0
104.10741	100.0
105.07051	1.2
105.11113	1.4
119.08611	1.5
124.99993	28.8
149.63531	1.2
184.07336	93.2
204.03764	1.1
258.10809	1.2
368.73108	1.2
498.29678	8.2
516.30859	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92672	0.2
55.05513	0.2
56.05038	0.5
57.05041	0.2
58.06620	0.5
58.68249	0.2
60.08164	5.7
67.05503	0.7
69.31235	0.3
69.31649	0.7
70.06591	0.3
71.07378	3.1
79.05511	0.3
81.07059	0.4
86.09708	31.1
87.10040	0.3
91.05495	0.4
93.07064	0.4
98.98468	3.1
104.10748	2.9
105.07053	0.5
110.10929	0.2
125.00007	20.1
170.11032	0.2
184.07346	100.0
185.07666	0.5
258.10843	0.2
381.20273	0.2
385.77750	0.2
498.29529	0.9
516.30872	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	516.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.8
53.21899	0.6
55.01849	1.6
55.05472	2.1
56.05001	1.6
57.03436	7.4
58.06557	0.8
61.02901	1.3
67.05502	4.5
69.03436	5.3
69.07065	5.9
69.41286	3.0
70.06594	3.8
71.04950	3.1
72.04468	0.7
72.08160	6.1
73.02892	1.0
79.05495	7.7
81.03365	2.9
81.07061	7.7
83.04934	2.0
84.08124	1.6
85.02419	0.7
85.02893	11.6
85.06517	0.9
86.09702	15.0
87.04477	1.5
91.04963	0.7
91.05483	11.2
93.07045	7.9
95.04910	2.8
95.08610	4.5
96.08083	0.9
97.02888	5.1
97.06530	8.1
98.09696	21.2
98.23389	1.0
99.04407	1.3
99.08099	5.0
102.09157	0.8
103.03909	0.8
105.03333	0.8
105.07027	6.9
107.08572	3.2
109.02843	1.4
109.06522	0.8
109.10113	1.2
113.09622	2.4
114.09142	1.4
117.07024	4.5
119.07894	0.8
119.08575	9.5
121.06408	0.9
121.10102	1.8
124.11215	1.1
126.05547	0.8
127.03876	2.0
128.06239	1.3
130.08586	0.8
131.08568	5.5
133.10143	6.2
135.08022	1.5
135.11696	1.3
137.09610	0.7
141.06961	0.9
142.12268	12.5
143.08586	3.3
143.09486	0.7
145.04930	0.9
145.10071	2.4
147.11682	1.0
157.10060	2.5
158.47173	0.7
159.11652	3.0
161.09622	3.6
166.55859	0.8
169.10124	0.9
171.11508	1.0
173.13208	1.3
179.10608	1.5
183.11574	1.5
185.12994	1.7
199.11116	0.8
201.12489	1.8
239.13962	2.2
255.17255	0.7
257.14886	1.4
328.18585	4.1
336.25330	9.3
354.26364	100.0
355.26730	2.4
457.20499	1.2
516.31635	81.1
517.22577	9.4
517.31805	3.2
538.05145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	1.5
86.25413	0.7
94.93010	1.1
112.89779	0.7
120.63657	0.7
136.94026	9.4
143.23013	0.8
148.94008	2.6
156.88536	0.9
166.95110	3.2
174.89615	100.0
224.95634	0.6
256.98294	1.4
381.07935	6.3
419.03497	7.4
517.13696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58308	0.9
54.16095	0.9
70.06590	3.1
71.44172	1.0
72.08158	2.6
87.04465	2.0
94.93021	6.9
104.07095	4.2
112.07591	4.1
112.89609	4.6
116.90199	1.0
120.30396	0.8
136.94043	5.6
140.07031	1.8
143.36530	0.8
148.93979	1.0
156.88524	1.7
159.85190	0.8
166.95190	1.8
173.02954	1.1
174.10513	0.9
174.89618	100.0
202.77396	0.9
212.85167	1.7
248.89670	3.8
256.98291	1.9
337.06168	1.1
345.02200	0.9
345.66620	1.0
381.07846	5.9
419.03638	5.1
443.69839	1.0
517.01282	3.0
517.17719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2058
Annotation	Deoxynortryptoquivaline
Peak:m/z	Relative Intensity
51.39574	0.6
56.96557	1.7
62.09484	0.5
69.07064	2.4
70.06591	59.6
72.08155	1.7
81.03411	0.6
81.07042	1.2
83.21995	0.5
84.08153	0.7
84.96059	1.3
86.09710	23.3
91.05480	0.6
93.07044	1.0
97.06487	0.5
98.97577	6.7
105.05166	0.6
105.07014	0.5
107.04891	0.6
107.08620	1.0
110.97579	1.7
114.09181	1.5
116.98626	2.8
118.81279	0.5
119.08604	0.7
120.08086	1.0
128.98605	2.4
131.52600	0.6
134.99597	0.7
142.13220	0.5
143.00200	1.3
146.99658	0.8
149.13261	0.6
152.98616	1.1
158.99678	1.2
161.01212	0.6
166.08675	0.7
170.99677	0.7
177.00706	0.7
178.23332	0.5
201.00635	0.7
203.09537	1.3
219.01770	4.5
227.61719	0.6
231.09027	0.7
237.02777	5.3
245.10683	1.3
254.02882	0.6
255.17168	0.8
257.10718	0.9
260.04526	0.6
263.13904	36.0
271.12173	1.4
342.72189	0.7
373.15320	5.0
376.22388	2.1
391.16403	5.9
415.16452	6.0
433.17465	4.7
457.17542	1.6
517.20453	100.0
517.32037	5.2
518.20813	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2257
Annotation	YM022
Peak:m/z	Relative Intensity
52.63370	0.3
69.03428	0.3
69.53150	1.3
70.06586	2.0
70.29288	0.3
72.08148	1.1
74.06083	0.3
79.05490	0.3
81.07040	0.4
84.04509	1.4
84.08141	0.5
85.02893	1.5
85.13686	0.3
86.09698	5.1
87.10052	0.3
88.59858	0.3
93.07035	0.4
95.08590	0.3
97.06501	0.3
98.23438	0.5
99.04487	0.4
102.05516	0.6
103.03931	0.6
105.07057	0.3
107.08556	0.3
109.02863	0.4
114.09158	1.1
116.07118	0.3
119.08611	0.3
127.03915	1.0
129.10271	0.3
144.06561	0.6
154.21899	0.3
162.07536	1.3
163.05945	0.5
167.22128	0.3
193.15967	0.4
197.12984	0.3
211.13141	1.0
211.16965	0.5
215.13936	1.5
243.13455	1.0
258.15945	0.3
275.15939	1.3
285.09592	0.5
315.70602	0.3
329.08334	0.6
354.26447	0.3
355.17279	0.5
369.91016	0.3
373.18341	5.6
379.08044	0.3
415.19501	1.1
455.22488	14.4
456.22757	0.4
457.20447	7.1
499.21628	1.1
517.22546	100.0
518.22839	3.6
518.30554	0.4
518.33716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76181	0.2
55.05508	0.3
58.06600	0.5
58.57730	0.2
67.05499	0.4
69.03423	0.3
69.07082	0.6
70.06586	1.5
70.34724	0.2
70.90504	0.2
71.04993	0.3
71.44415	0.2
72.08154	1.0
79.05488	0.4
81.03436	0.3
81.07048	0.7
83.04973	0.4
84.08155	0.4
85.02921	0.8
86.09709	2.2
87.16354	0.2
93.07059	0.5
97.02868	0.5
98.09720	0.4
99.04443	0.2
103.03942	0.6
105.07030	0.2
107.08583	0.4
109.10183	0.3
110.09698	0.2
114.09161	0.7
118.30326	0.2
119.08493	0.3
120.08096	0.3
121.10171	0.2
127.03900	0.5
129.10245	0.5
145.05019	0.4
147.04282	0.2
147.11659	0.3
153.12663	0.3
156.35165	0.3
157.10004	0.3
159.09160	0.2
163.06042	0.5
207.06552	0.4
211.13074	1.1
215.14073	0.3
242.32753	0.2
243.13440	0.2
285.09412	0.5
287.07455	0.6
329.08417	0.5
347.09515	2.3
354.26459	0.3
355.17126	0.6
355.26865	0.5
373.18326	4.7
415.19421	1.3
437.21606	0.8
455.22531	12.8
456.22800	0.4
457.20480	6.7
499.21762	2.2
516.31390	0.2
517.22583	100.0
518.15588	0.4
518.22925	3.0
518.33398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84579	0.3
55.05511	0.4
56.05042	0.4
58.06596	0.5
68.05396	0.3
69.07097	0.4
69.38973	0.3
70.06596	3.5
71.06940	0.4
72.08163	1.1
79.05483	0.7
81.03402	0.4
81.07053	0.5
84.04482	0.7
84.08143	1.0
85.02907	1.2
86.09719	3.2
87.10054	0.4
91.05473	0.4
93.07063	0.5
95.05016	0.4
95.08635	0.5
96.08142	1.6
97.02824	0.3
97.08457	0.5
98.23468	1.3
99.04443	0.6
99.08147	0.6
103.03941	0.8
105.07049	0.3
107.08614	0.4
109.10175	0.7
114.09164	3.5
115.08746	0.4
115.09509	0.8
120.08130	0.4
121.02885	0.3
127.03930	1.0
129.10252	1.0
130.04912	0.3
133.10138	1.3
135.11679	0.6
137.09604	0.7
142.45915	0.3
145.02922	0.4
145.04922	0.6
163.06042	0.4
193.15872	1.3
201.12439	0.3
211.13107	0.9
211.16992	1.4
229.15517	0.4
265.10474	0.4
272.12634	0.3
275.16241	0.4
285.09665	0.7
287.07513	0.4
321.07724	0.6
329.08472	0.4
345.07867	0.4
347.09625	1.4
355.17218	0.5
373.18341	7.1
379.08325	0.5
394.34570	0.3
399.05090	0.4
409.09274	0.3
415.19235	1.8
428.84625	0.3
433.08823	0.4
451.10837	0.4
455.22522	14.3
457.20508	9.6
469.11520	0.8
481.11685	0.7
499.12369	0.5
499.21402	1.3
517.22601	100.0
518.22778	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.71104	0.4
55.05505	5.3
57.07075	1.9
59.04988	1.4
61.02945	0.4
67.05158	0.7
67.05504	12.1
69.03427	7.1
69.07069	8.8
70.10168	1.1
71.04993	2.6
72.57948	0.5
79.05499	2.4
81.03414	2.8
81.07055	12.0
83.04979	8.4
83.08620	4.1
85.02903	11.1
85.06525	2.4
87.04468	0.5
87.08140	0.6
91.05447	2.1
93.07041	6.3
95.04961	1.4
95.08607	24.5
97.02890	3.8
97.06506	0.9
97.10165	1.4
99.04456	8.2
99.08088	2.7
103.03946	11.3
105.07029	3.9
107.08594	15.7
109.02879	3.5
109.06517	6.5
109.10155	73.1
110.10497	0.5
111.08078	2.0
111.11672	0.5
113.09606	1.0
119.08578	23.7
121.10146	8.4
123.08068	8.2
123.08894	0.7
123.11708	6.2
125.09635	1.1
127.03915	13.2
127.11201	0.9
128.10672	1.0
129.56265	0.4
133.10127	14.4
135.11691	63.8
136.12048	1.0
137.09616	13.4
138.10373	0.8
139.11203	1.5
145.04939	7.3
147.11684	1.1
149.13264	5.2
151.11183	6.9
151.14821	8.1
153.12718	2.3
163.05984	3.5
165.16411	2.7
175.14824	28.9
176.15225	0.5
187.06073	0.8
193.01993	0.4
193.15883	45.0
194.16249	0.7
205.07187	0.4
205.16315	0.4
211.16925	100.0
212.17302	1.5
253.66884	0.5
271.08154	0.6
297.65097	0.4
463.23224	0.5
487.05399	0.5
517.22229	0.6
517.29358	1.0
531.77063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51285	1.2
53.03944	2.8
55.05503	7.4
57.03454	1.1
57.07069	2.4
58.68851	1.2
59.04988	1.8
64.19975	1.4
67.05502	16.8
69.03430	10.0
69.07069	12.2
70.06593	1.8
70.11505	3.1
71.04990	4.3
79.05502	3.4
81.03431	6.5
81.07053	17.9
83.04982	8.8
83.08627	5.4
84.08147	3.0
85.02908	22.6
85.06567	4.0
86.09689	1.3
91.05479	3.0
93.07035	9.0
95.04979	1.8
95.08606	31.4
97.02903	7.9
97.06554	2.0
97.10174	1.4
99.04464	12.2
99.08115	5.6
103.03945	23.8
105.07047	7.3
107.08597	23.2
107.09303	0.8
109.02879	6.0
109.06540	8.6
109.10155	90.5
110.10481	1.4
111.08095	2.8
112.21993	1.2
119.08581	40.6
121.10144	11.6
123.08074	12.2
123.11686	7.6
127.03918	25.6
128.10701	3.4
133.10127	23.9
135.11688	100.0
136.12018	2.0
137.09612	17.2
139.11201	2.8
145.04948	11.9
147.11624	1.9
149.13242	8.8
151.11177	7.7
151.14835	9.8
153.12784	2.2
159.11617	1.3
163.06027	5.2
165.16429	1.9
169.92802	1.3
175.14825	46.0
192.14682	1.5
193.15883	73.2
194.16264	2.0
211.16933	80.0
222.80585	1.0
231.44066	1.2
339.53305	1.4
355.30392	1.7
455.22571	2.0
461.47839	1.2
517.22516	16.4
517.29688	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05511	7.9
57.03433	1.4
57.07070	2.6
59.05000	1.9
61.02898	1.8
67.05508	17.3
69.03426	9.0
69.07067	13.9
70.06594	7.6
71.04990	4.4
72.08155	3.6
79.05489	5.8
81.03420	6.0
81.07051	18.3
83.04975	7.9
83.08611	5.9
84.04494	6.8
84.08119	4.0
85.02908	24.1
85.06548	3.5
86.09702	21.4
91.05476	4.0
93.07046	12.6
95.04922	2.6
95.08603	30.0
97.02892	6.0
97.06494	1.6
97.10174	1.8
99.04453	10.5
99.08080	3.7
102.05563	4.4
103.03948	18.9
105.07032	8.6
107.08600	16.1
109.02874	5.8
109.06502	6.1
109.10154	76.2
110.97565	2.0
111.08080	3.4
117.03351	2.4
119.08588	32.6
121.10149	12.8
123.08080	11.2
123.11691	7.1
125.09673	2.0
127.03926	23.6
128.10721	4.4
129.11084	1.4
131.08580	2.3
133.10130	22.9
135.11690	73.3
137.09608	12.8
138.98924	1.3
139.11189	2.9
145.02838	3.0
145.04950	8.4
146.11749	4.6
147.11693	1.5
149.13272	5.2
151.11159	7.4
151.14812	8.6
159.11830	1.2
163.06009	5.5
165.16350	3.6
167.08229	2.3
173.13168	1.9
175.14819	44.1
177.05476	4.3
187.05989	1.5
187.41010	1.5
193.15880	47.1
211.16928	100.0
219.01753	1.7
234.92229	1.4
259.09222	5.6
259.20212	4.9
271.08151	1.9
338.20465	2.3
338.26639	2.0
349.98383	1.8
356.27902	9.4
457.17392	8.6
516.35132	2.7
517.22528	34.5
517.29755	7.2
517.35388	4.2
518.33276	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	517.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77195	0.7
56.10793	0.6
63.55333	0.7
67.05496	1.1
69.07094	0.8
70.06590	1.4
72.08163	0.8
76.18530	0.7
81.03403	0.9
81.07069	1.9
84.08138	1.3
85.02927	1.3
85.06480	0.6
86.09721	1.7
86.95348	0.6
91.05480	1.0
93.07071	1.0
95.08631	1.3
97.02922	0.8
103.03961	1.0
105.07040	1.1
107.08613	0.9
109.10173	1.2
121.10142	0.7
127.03911	2.0
127.80450	0.6
128.10686	0.9
133.10202	1.0
135.11766	0.9
170.92508	0.7
211.16895	0.7
267.17725	0.8
355.24545	61.7
356.24731	1.7
373.18286	2.5
455.22470	6.7
457.20343	3.5
517.22430	46.3
517.29791	100.0
518.23029	2.3
518.30347	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	517.3025
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
55.05491	0.3
63.86522	0.3
66.68560	0.3
69.07069	3.3
70.06592	100.0
70.96630	0.3
72.08158	2.7
84.08163	0.4
86.09707	37.3
98.97609	0.7
114.09153	2.1
120.08124	1.7
142.08632	0.4
144.15526	0.3
166.08644	0.9
171.01234	0.3
211.14388	0.6
217.13387	0.5
255.16983	1.4
263.13913	64.7
264.14282	1.5
373.15436	0.4
376.22198	2.6
391.16406	0.3
415.16357	0.5
471.32449	0.3
473.32187	0.8
509.59641	0.3
517.20386	7.8
517.27625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
57.07088	0.8
60.08170	2.4
67.05502	4.2
69.07065	2.0
71.07384	1.2
79.05502	3.2
79.23739	0.9
81.07058	7.6
83.08631	2.3
85.06554	2.2
86.09712	9.6
87.10057	1.2
91.05482	3.9
93.07043	6.8
94.69352	0.8
95.08604	7.6
98.98478	2.1
105.07032	5.7
107.08582	10.1
108.01193	2.4
109.10181	4.4
116.88633	0.8
119.08591	6.5
121.10132	5.9
123.08105	1.2
123.11765	1.3
125.00010	7.3
125.09645	1.1
126.02217	34.1
129.07014	1.0
131.08612	2.5
133.10133	8.4
135.11659	4.9
137.09648	1.1
141.93088	0.9
143.08611	1.3
145.10149	3.8
147.10677	0.9
147.11671	5.3
149.09595	1.2
149.13266	4.6
157.10201	1.1
159.11694	5.5
161.13245	5.4
163.11203	2.1
163.14824	2.0
166.85420	1.0
169.10236	1.1
173.13307	2.1
175.11185	1.7
175.14803	4.9
177.12752	2.6
184.07346	33.7
185.07713	7.2
185.13263	2.8
187.14830	3.3
189.12747	1.5
189.16422	2.6
199.14806	2.2
201.16422	9.0
208.06363	7.8
211.14728	2.2
213.16467	2.2
215.17995	7.6
225.16490	1.3
229.15941	1.3
233.47871	1.0
239.17943	2.2
243.17419	1.2
257.19000	1.3
297.09369	1.0
311.23773	1.1
321.25824	4.7
324.00934	1.1
339.26740	8.3
354.17432	1.1
376.98544	1.0
464.28317	100.0
465.28650	2.7
482.29291	3.8
517.31665	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	517.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86046	7.5
55.05512	22.8
57.03424	10.4
57.07077	8.1
67.05511	81.4
69.07075	32.4
71.08616	9.3
78.23499	7.6
79.05482	23.9
81.07059	100.0
83.08624	20.6
86.09707	34.8
91.05481	26.3
93.07052	33.7
95.08601	71.8
97.10181	17.2
98.22598	16.3
104.10752	76.1
105.07041	9.9
105.11034	6.3
107.08607	17.1
109.10175	39.4
119.08594	18.1
121.10134	30.6
123.07995	7.9
123.11736	24.8
125.00025	13.2
133.10135	17.5
135.11720	17.6
137.13329	7.6
147.11783	10.9
149.13234	11.4
161.13251	20.5
163.14777	8.5
165.16403	10.8
175.14856	16.0
179.17880	13.5
184.07350	57.9
189.16483	9.9
245.22676	52.4
263.23715	75.4
337.27396	53.5
402.88510	8.4
499.32123	11.4
500.31409	9.9
517.30872	9.7
518.32581	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	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68357	0.7
52.20838	0.8
53.03938	1.5
55.01871	1.1
55.05254	1.6
55.05512	23.2
57.03431	5.8
57.07075	12.9
59.50473	0.8
61.02913	2.8
65.03939	3.1
67.05504	85.9
68.77995	0.7
69.03426	2.4
69.07066	27.1
70.28301	1.4
71.04987	1.2
71.08620	6.0
73.02923	1.4
75.04471	1.1
78.44584	0.8
79.05490	24.3
79.63936	0.8
81.03419	1.7
81.07055	100.0
83.04982	1.9
83.08611	20.1
85.02905	2.4
85.06558	2.3
85.10186	2.4
91.03964	1.4
91.05473	18.2
93.07044	32.7
95.04981	4.0
95.08604	88.0
97.02899	1.2
97.06525	7.9
97.10168	13.1
98.23333	1.0
99.08078	4.9
104.10754	5.8
105.07024	13.4
107.08588	20.0
109.06528	2.0
109.10151	43.8
111.08072	5.4
111.11712	2.8
113.09653	2.7
117.07026	1.9
119.08573	15.4
121.10139	25.1
123.08092	1.1
123.11707	22.9
125.09630	1.4
125.13226	1.7
127.11177	1.9
129.05467	1.0
131.08582	2.7
133.10138	15.6
135.11694	12.6
137.13251	8.8
139.11237	1.6
139.79440	0.9
141.12744	4.0
145.10158	1.2
147.11682	12.4
149.13243	12.3
151.11182	2.6
151.14816	7.3
153.12701	2.0
155.14281	5.2
156.97537	1.9
161.13257	19.0
163.14841	12.2
165.12759	1.6
165.16382	10.6
167.14340	1.4
169.15813	1.1
174.98575	1.0
175.14819	12.4
177.16362	3.2
179.14299	1.9
179.17946	9.2
180.90388	2.1
181.15877	1.5
189.16357	5.4
193.15875	1.6
195.13844	1.3
203.17947	1.7
207.17545	1.8
213.00096	1.9
214.94865	1.0
217.19496	2.3
221.00606	0.8
236.93083	1.5
245.22644	62.5
247.24286	1.4
263.23700	71.5
264.24069	1.5
265.25290	1.7
281.24707	1.0
303.23215	1.0
337.27359	40.9
355.28387	1.4
371.25720	1.6
407.27823	1.7
457.21765	2.1
459.24777	2.7
475.21835	1.5
499.32550	2.7
512.56207	1.0
517.16949	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	518.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	1.4
55.05511	11.8
63.52536	0.9
69.07051	1.3
69.30031	3.7
69.30446	2.1
71.08270	1.1
73.06552	100.0
83.04988	3.8
84.87104	0.9
86.17972	0.9
93.07008	1.2
109.10167	1.3
114.09212	2.1
120.86542	0.9
135.82085	1.0
135.84772	1.1
145.12233	39.3
145.13382	1.9
150.42453	1.0
183.10191	1.4
184.07350	1.7
201.11201	34.1
205.42227	1.1
254.04428	1.1
294.67432	1.1
301.16443	63.4
401.21536	6.2
510.73508	1.1
518.29407	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	518.2962
Annotation	Arg Thr Leu Glu
Peak:m/z	Relative Intensity
56.05047	1.6
58.06599	100.0
70.06587	1.6
82.39689	0.7
84.04501	0.7
85.02869	1.1
86.09710	1.0
88.07645	1.7
93.45373	0.6
118.08661	1.7
176.85118	0.7
192.41182	0.7
356.24387	2.2
361.95676	0.7
449.05310	1.0
518.23425	2.8
518.29572	55.3
519.29883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05032	0.5
57.03438	0.1
58.06632	0.5
59.07402	0.2
60.08165	6.2
67.05515	0.5
69.07069	0.1
69.81696	0.3
70.06593	0.1
71.06968	0.2
71.07371	3.1
79.05488	0.3
81.07060	0.4
86.09705	30.5
87.10049	0.1
91.05518	0.1
93.07032	0.3
95.08609	0.3
98.98466	2.6
104.10739	2.9
125.00001	19.6
143.01096	0.3
166.02657	0.1
184.07336	100.0
185.07710	0.5
200.20035	0.1
258.11072	0.1
335.25659	0.2
500.31393	1.0
518.32422	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.05508	0.7
56.05018	1.2
58.06606	1.0
60.08165	18.6
67.05501	2.7
69.07055	0.9
70.69785	0.6
71.07372	6.6
79.05512	2.3
80.41055	0.4
81.07049	1.8
86.09709	51.9
91.05477	1.0
93.07041	2.2
95.08615	1.8
98.98463	4.0
104.10746	100.0
105.07001	0.4
107.08577	0.4
109.10181	0.8
121.10130	0.4
125.00008	30.0
150.69853	0.5
163.01523	0.7
180.30656	0.4
184.07344	97.3
185.07693	0.7
200.57373	0.4
258.11111	1.1
335.25781	1.2
455.20648	0.4
500.31317	9.6
518.32446	29.2
519.32721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.8
60.07868	1.3
60.08163	18.2
60.31278	0.8
67.05502	2.4
70.30054	1.5
71.07372	6.9
79.05506	1.9
80.94846	1.3
81.07047	2.4
84.57790	0.8
86.09704	52.8
91.05458	2.2
93.07050	2.0
93.29185	0.7
93.50158	0.8
95.05000	0.9
95.08610	1.3
96.92252	0.8
98.98472	3.1
104.10743	100.0
107.08640	1.1
108.88812	0.8
125.00008	31.6
126.15202	0.7
164.91931	0.8
184.07346	98.2
258.11365	1.0
258.93994	0.7
270.37262	0.7
325.98990	0.9
335.25781	1.1
386.37247	0.9
404.69385	0.8
500.31409	8.0
518.32458	33.1
519.32849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.05025	1.1
58.06605	1.3
60.07872	0.8
60.08165	14.3
67.05496	3.5
69.07056	0.7
69.37202	2.0
70.06571	0.5
71.07372	6.0
79.05489	1.2
81.07066	2.0
86.09707	47.0
93.07033	1.7
95.08592	1.8
98.98461	3.7
100.53021	0.4
104.10744	77.0
105.07000	0.5
105.11033	0.5
106.04969	0.4
107.08606	1.2
113.00044	0.6
113.38418	0.4
121.10194	0.5
123.68719	0.4
125.00008	28.4
131.08543	0.5
135.11729	0.7
145.91774	0.4
158.52000	0.4
161.35283	0.4
163.55008	0.4
184.07343	100.0
187.03622	0.6
258.11124	0.7
335.25839	0.6
500.31369	6.8
518.32452	26.2
519.33020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
58.42828	0.3
65.03936	0.3
67.05509	0.7
69.03438	0.7
69.07071	0.8
69.55884	0.7
69.56292	1.0
70.06583	0.9
72.08144	0.8
79.05489	0.7
81.03398	0.5
81.07054	1.4
84.08145	0.3
84.19953	0.3
85.02914	1.1
86.09714	1.2
93.07053	0.5
95.04997	0.4
95.08601	0.9
97.02905	0.7
98.09708	0.5
98.22745	0.6
99.04449	0.4
103.03901	0.4
105.07038	0.8
107.08606	0.9
109.06513	0.5
109.10156	0.9
119.08609	1.0
121.10139	0.6
123.11745	0.5
125.09600	0.4
127.03940	0.8
130.05112	0.3
131.08553	0.5
133.10182	0.4
134.03731	0.3
135.08035	0.3
135.11687	0.5
137.06111	0.3
145.05025	0.5
149.05983	0.4
159.11679	0.4
161.05997	0.3
161.31296	0.3
163.06046	0.4
175.14891	0.3
177.05548	0.3
211.16949	0.5
213.17584	0.4
271.06042	1.4
347.09454	1.5
357.18829	3.8
358.29510	0.7
364.82852	0.3
470.43289	0.3
480.83063	0.3
519.24127	100.0
520.24396	3.1
520.34766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05419	0.6
67.05512	1.3
68.77422	0.6
69.03423	1.5
69.07071	0.7
69.11745	3.9
70.06605	1.4
70.99572	0.6
71.05003	0.7
79.05509	1.3
81.03443	0.8
81.07065	2.3
84.04544	0.6
84.08149	0.7
85.02908	2.1
91.05479	0.7
93.07057	1.8
95.08617	1.8
103.03996	0.6
105.07036	0.9
107.08628	1.5
108.50231	0.5
109.10181	0.9
119.08615	0.8
120.08121	0.6
121.10191	0.6
127.03936	1.1
131.08603	0.6
135.11725	0.9
145.04996	0.7
170.41144	0.5
213.14600	3.2
282.54782	0.6
338.27069	1.0
339.27026	0.8
352.26416	0.6
356.28036	1.5
357.19025	0.7
357.28378	2.3
375.19907	8.0
388.10556	0.6
417.21066	1.7
457.24091	17.5
459.22015	9.8
501.23184	0.9
501.32422	1.0
519.24109	100.0
519.32678	7.5
520.24426	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
55.01870	3.3
55.05513	12.6
57.03431	5.8
57.07070	1.9
59.04985	1.6
59.96013	1.3
61.02919	3.9
67.05501	7.8
69.03430	24.0
69.07068	23.9
70.06567	3.2
71.04999	6.8
72.08143	3.2
73.02913	4.3
79.04420	1.3
79.05515	5.8
81.03418	28.0
81.07059	18.9
83.04990	10.1
83.08624	4.2
84.08131	2.7
85.02906	80.1
85.06539	9.7
86.09724	5.4
87.04481	2.1
91.03923	1.4
91.05479	3.2
93.07054	7.8
95.04990	2.1
95.08616	22.9
97.02898	33.4
97.06525	4.8
97.10174	7.0
98.09681	4.8
98.10255	1.1
99.04457	38.4
99.08089	12.0
101.44371	1.1
102.50578	1.1
103.03946	67.7
105.07025	3.7
107.08595	16.8
108.28275	1.1
109.02173	2.0
109.02885	24.7
109.06478	1.5
109.10165	9.0
111.08093	2.1
111.11716	4.1
113.09637	4.9
115.03978	2.4
119.08481	1.6
120.08080	1.5
121.10144	15.9
123.11732	4.4
125.05961	1.3
125.09644	4.5
127.03917	100.0
127.11181	1.7
133.10077	1.7
135.11682	6.1
137.09697	1.6
137.13255	7.1
139.11177	3.2
142.12302	2.8
145.04962	55.8
145.10135	2.1
149.13220	2.0
153.01836	4.1
153.12717	5.8
163.06030	30.2
177.05490	4.4
177.16379	32.0
187.06030	7.2
195.17441	28.3
205.07104	5.7
213.18498	35.2
253.07065	1.5
271.05933	70.5
272.06311	2.7
283.38135	1.2
289.09174	4.9
299.06317	1.2
303.19763	1.5
307.10214	7.2
333.73666	1.2
339.27213	1.7
340.28452	4.1
357.28412	6.0
358.29617	11.7
519.11285	1.8
519.27698	4.1
519.33545	5.2
520.34882	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	520.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
56.05030	2.8
57.03439	2.4
64.52765	0.8
64.69621	0.9
65.03939	2.4
67.05531	1.4
68.99790	7.0
69.03426	1.4
69.07060	0.9
70.06593	44.1
71.04996	3.1
71.38938	0.8
71.44755	1.0
72.08150	4.1
73.02911	0.9
74.06068	1.0
75.04483	2.4
79.05482	2.0
81.03414	2.2
81.07060	1.1
83.05016	2.1
84.04538	1.2
84.08146	4.0
85.02902	11.4
86.06093	1.0
86.09703	8.2
87.05623	0.9
87.10070	1.3
89.03940	1.0
91.05489	4.0
95.04968	7.3
97.02899	2.4
98.09666	1.6
103.05457	1.4
105.03405	1.5
105.07056	2.0
105.34995	0.8
107.04980	1.5
109.02841	1.1
109.06502	1.0
110.06021	2.0
110.07115	1.1
111.04416	2.3
116.07103	1.0
117.07034	2.0
119.04942	1.9
119.08558	0.9
120.08103	4.1
121.02867	75.0
121.03773	2.6
121.06495	7.2
123.04450	3.0
127.03915	1.2
128.06207	1.8
128.10762	1.9
129.05464	2.2
129.06969	1.7
129.10233	3.0
131.05002	1.0
133.06497	1.6
135.04431	1.7
136.07623	1.4
138.05469	1.8
139.03888	0.9
143.08559	1.8
143.11812	1.0
144.10179	0.9
145.02805	4.3
145.04938	1.2
147.04416	1.5
147.08041	2.1
149.05969	1.4
151.03909	1.3
151.07530	1.1
153.01843	3.4
153.05626	0.8
157.06496	1.9
161.05978	3.6
161.09619	2.2
163.03902	15.1
163.07576	1.5
164.07083	0.9
164.09193	1.1
165.01843	4.3
165.07002	1.0
171.08047	1.1
173.06013	3.0
173.12909	1.0
175.03868	1.7
175.07573	6.2
177.01944	1.5
177.05463	12.0
179.03436	1.1
179.07022	5.7
183.02902	1.7
185.05983	1.8
187.03886	2.2
187.07649	1.5
188.07104	1.3
189.05531	2.7
189.09105	1.6
190.08604	1.8
191.03401	1.6
191.07021	11.8
193.04942	1.2
195.06531	6.2
196.09769	3.4
199.07568	2.1
200.07123	0.8
201.05409	2.2
203.03427	1.8
203.07082	5.9
204.06583	4.0
205.04977	23.5
205.06808	1.7
208.09761	2.3
213.05371	1.7
214.08675	1.9
215.07060	3.8
216.06602	3.7
217.04964	16.1
217.08548	1.9
219.02856	1.4
220.09702	2.1
221.08150	1.4
222.07594	15.3
227.06956	2.2
228.06541	1.3
229.05022	3.5
229.08620	1.1
230.17674	1.1
231.02919	1.2
231.06592	2.8
233.04439	1.4
234.07602	13.1
235.06001	4.2
239.07146	1.3
242.08176	1.0
243.06505	5.1
245.08043	6.1
246.07635	2.5
247.06047	6.2
249.03889	6.6
255.06525	1.5
256.10001	1.4
257.08133	5.5
259.06082	1.9
261.03946	3.6
262.10709	1.3
263.13989	1.7
264.08768	3.2
267.06467	1.8
269.08112	2.9
270.07800	1.2
271.06027	12.3
274.10883	2.0
281.08170	1.2
283.05975	5.8
285.07632	2.6
287.06241	1.0
287.09259	3.4
288.08667	9.3
289.06982	1.2
295.06070	2.8
300.08698	6.0
301.07141	2.4
304.11618	1.5
305.10187	1.1
307.06274	1.3
307.09540	1.6
312.08649	1.6
313.07022	7.2
317.08231	0.9
318.09714	2.3
321.07654	1.3
322.12930	2.7
323.08871	4.7
330.09726	5.0
331.08347	2.5
334.10767	3.2
335.09125	11.4
340.11200	1.4
340.13931	5.9
347.09238	3.1
348.10730	11.7
349.09601	2.2
352.11795	8.7
353.10089	1.2
358.12814	2.1
358.25827	1.7
361.06744	1.4
361.10773	3.1
364.11829	2.5
365.10211	2.0
366.11813	36.6
370.12949	2.0
375.12405	2.9
382.12924	3.9
384.12805	1.2
389.10410	4.4
400.14056	5.2
406.12921	6.9
413.10153	1.8
424.13910	9.9
430.12967	4.0
431.11447	3.1
436.13898	8.4
448.13873	6.9
449.12347	1.7
449.26944	1.1
454.15097	1.0
466.15106	13.5
467.13303	1.0
484.16006	36.9
485.15536	2.7
502.17065	100.0
503.17465	2.0
520.18231	32.6
520.30829	12.3
522.09210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80359	0.2
52.63953	0.2
53.72641	0.2
55.05478	0.4
56.05027	0.4
58.06606	0.5
60.07870	0.3
60.08165	5.2
67.05488	0.5
69.07068	0.3
69.81383	0.4
69.81767	0.5
71.07372	2.9
73.89971	0.3
77.46491	0.2
81.07051	0.6
86.09706	28.7
98.98465	2.8
101.69821	0.2
104.10745	2.5
105.49413	0.2
109.10130	0.3
125.00002	20.6
148.50604	0.2
149.16705	0.2
184.07338	100.0
185.07668	0.5
189.74460	0.3
329.53314	0.2
350.51447	0.2
502.33469	1.1
520.33844	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44593	0.4
53.22933	0.6
55.05494	1.1
56.05021	1.3
58.06604	1.0
60.07874	0.8
60.08166	16.0
67.05507	2.8
69.01578	0.4
69.07047	1.6
69.26475	1.9
69.26885	1.0
71.07381	7.5
71.65025	0.4
79.05479	0.9
80.60835	0.4
81.07049	2.5
83.08633	0.5
86.09707	50.2
91.05486	0.6
93.07019	0.5
94.01280	0.5
95.08603	1.1
98.23455	0.7
98.98476	2.6
104.10743	100.0
105.11114	0.5
109.10146	0.5
125.00005	28.7
128.40552	0.4
184.07343	97.6
185.07683	0.7
209.13162	0.5
241.83025	0.5
258.11057	0.9
272.36407	0.4
288.03629	0.5
337.27405	0.8
502.32907	7.7
520.33978	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01864	0.7
55.05503	2.0
56.05039	1.4
57.03434	5.1
57.07049	0.5
58.06600	1.0
61.02917	2.2
65.03951	0.7
66.78497	0.5
67.05505	5.4
69.03432	7.5
69.07063	3.4
69.61697	0.7
69.62024	0.8
70.06589	6.0
71.05000	3.0
72.04538	0.9
72.08158	6.3
73.02921	1.7
79.05482	3.7
81.03414	2.5
81.07053	8.6
82.03744	0.5
83.04990	0.7
83.08633	0.8
84.08149	1.7
85.02905	10.8
85.06523	1.0
86.09696	3.3
87.04469	2.3
88.86440	0.4
91.05479	3.1
93.07053	4.2
95.04980	0.9
95.08607	7.9
96.08109	0.6
97.02900	3.8
97.06523	3.8
97.10175	0.6
98.09691	15.1
98.10318	0.9
99.04464	1.7
99.08106	2.6
101.02411	0.5
102.09161	0.7
103.03985	0.6
105.07037	2.9
107.08594	2.6
109.02898	1.8
109.06506	0.5
109.10166	1.9
110.09711	0.5
111.08115	1.1
113.09636	0.9
117.06974	0.7
119.08598	2.1
120.08132	1.6
121.10130	2.2
122.81870	0.5
123.11755	0.8
124.11250	1.0
125.09628	0.8
127.03915	2.8
129.10263	0.7
129.56903	0.5
131.08577	0.9
133.10121	1.5
135.11716	1.1
137.96979	0.4
142.12263	9.5
145.04921	1.3
145.10098	1.0
147.11708	2.0
149.13335	0.6
156.13870	1.2
159.11778	0.7
161.13342	0.5
165.12871	0.5
166.08620	1.2
167.09007	0.6
172.03957	3.1
173.04314	1.7
183.13799	0.6
184.16901	0.8
187.14766	0.6
193.37421	0.4
204.06566	5.8
205.06927	4.5
277.21588	0.5
304.26398	0.9
322.27328	2.4
340.24390	0.6
340.28445	10.8
358.29517	31.2
359.30157	0.5
462.78802	0.5
502.33560	4.3
520.18433	5.1
520.34833	100.0
521.35101	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	520.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.90296	0.4
55.01870	0.7
55.05505	1.5
56.05027	1.1
57.03439	6.2
58.06582	0.5
61.02922	0.9
67.05509	4.9
69.03429	4.2
69.07062	4.2
69.56528	1.6
70.06596	4.1
71.04986	1.8
71.58714	0.5
72.04507	0.8
72.08161	4.6
73.02899	1.1
79.05496	3.4
81.03413	1.5
81.07061	8.5
83.04962	0.7
83.08601	1.0
84.08141	1.0
85.02908	5.2
85.06557	1.6
86.09696	2.2
87.04469	0.9
91.03927	0.8
91.05487	1.6
93.07027	3.3
95.04994	0.8
95.08609	7.5
97.02908	2.4
97.06534	2.7
98.09691	15.5
98.23470	1.0
99.04472	0.6
99.08078	3.0
102.09174	1.1
105.07024	1.5
106.37620	0.5
107.08585	4.0
109.02876	1.1
109.06518	0.6
109.10163	2.3
111.08090	0.8
113.09648	1.7
114.42691	0.5
117.07014	0.5
119.04900	1.2
119.08584	2.3
121.10107	2.8
123.08062	1.5
123.11776	0.5
124.11258	0.7
125.09630	0.9
127.03893	1.2
130.53133	0.5
131.08580	1.2
133.10097	1.4
135.08040	0.9
135.11713	2.5
142.12268	6.2
147.11670	1.8
149.13254	0.7
153.01846	2.0
154.02182	1.0
161.13277	0.9
173.13210	1.3
187.14848	0.6
191.14314	1.7
198.06561	0.5
243.17027	1.1
260.53244	0.5
271.03680	0.5
271.06000	28.0
272.06345	42.1
273.06589	2.5
277.21591	1.2
295.22861	0.8
298.27448	0.9
322.27325	1.5
335.02405	0.5
340.28494	12.4
358.29504	65.5
359.29895	2.2
380.42941	0.5
434.11691	0.8
502.33649	1.1
520.11627	2.4
520.24597	15.7
520.34686	100.0
521.35242	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	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
70.06589	0.7
76.17409	0.4
76.17971	0.4
77.03949	0.8
79.05485	0.8
85.02898	0.7
91.05459	0.6
95.04970	1.6
95.74452	0.4
103.05463	51.5
105.07018	6.2
107.04964	0.4
110.61959	0.5
115.05451	1.4
119.04875	0.5
127.73932	0.5
131.04922	100.0
132.05296	1.4
133.06488	5.2
137.05986	2.4
143.06030	1.0
147.04419	0.8
149.90906	0.5
151.07611	0.6
161.04800	0.3
161.05971	15.3
163.07529	30.1
175.07530	1.0
187.07481	1.5
205.18535	0.5
267.28180	0.5
291.10086	0.5
311.12589	1.1
377.60022	0.5
521.20154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93078	0.7
55.01864	1.4
55.05510	1.7
56.05030	1.7
57.03429	1.8
61.01146	0.9
61.02914	2.8
65.93173	0.7
68.05029	1.2
69.03437	4.9
70.06595	5.3
70.81566	0.8
72.08160	12.6
79.05466	1.2
81.03411	1.8
84.04493	0.8
84.08150	4.9
85.02906	28.8
86.09699	2.0
89.03925	3.5
91.03957	2.4
91.05492	0.9
94.57501	0.7
97.02898	6.6
99.04462	1.5
104.05303	1.3
107.04943	2.0
109.02857	2.3
110.07159	1.1
111.73639	0.8
113.07128	10.0
114.88124	0.7
117.03378	4.9
120.06594	0.9
120.08112	1.6
127.03934	7.7
128.10716	1.6
129.10248	3.4
130.05051	0.8
135.04419	12.3
141.97656	0.7
145.01714	0.9
145.02864	10.6
145.04948	15.4
147.53923	0.7
151.07541	1.5
152.10654	0.9
157.10797	0.8
161.07436	3.9
163.03903	100.0
163.05853	6.9
166.02122	0.7
181.04958	52.8
187.10718	1.0
189.06889	5.8
215.10295	1.1
217.08255	2.2
288.13669	1.8
316.14981	1.4
334.16043	1.0
342.20679	2.1
359.44684	0.7
360.21753	3.0
459.49182	0.7
504.26181	1.5
522.26843	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	522.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
55.95149	0.4
57.03450	3.2
61.02929	1.1
69.03434	14.8
69.83111	0.6
69.83435	1.1
70.06596	1.4
71.01357	0.6
71.04998	0.5
72.08144	1.5
73.02924	2.2
81.03416	1.8
81.53928	0.6
84.08142	1.4
85.02908	30.8
86.09721	0.8
89.03946	3.0
97.02892	11.8
99.04456	3.6
101.02396	2.8
103.03960	0.8
107.04963	1.2
107.47199	0.5
109.02888	1.8
115.03928	1.0
117.03391	4.0
120.08085	0.7
127.03919	20.4
127.04870	1.1
129.10229	0.8
135.04424	10.8
145.02861	10.3
145.04953	15.1
163.03906	100.0
163.06078	3.5
164.04222	0.9
180.08673	2.4
181.04959	84.6
182.05330	1.1
312.06805	0.5
342.20557	1.6
360.21591	0.7
504.25592	0.9
522.26886	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.6
65.47129	0.5
69.03423	0.7
69.69559	0.5
69.69902	1.9
77.03902	0.9
81.53680	0.6
84.08150	0.9
85.02920	3.7
95.04965	0.8
97.02888	1.4
97.80989	0.5
101.41994	0.6
103.05466	33.9
115.78793	0.6
127.03840	0.9
131.04926	100.0
132.05260	1.4
145.04953	1.2
151.07544	1.9
163.07542	58.3
164.07861	0.7
165.09128	1.0
181.08582	1.5
253.83658	0.5
385.19861	0.7
501.68048	0.6
522.27032	1.3
540.93658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03432	5.5
61.02909	4.8
69.03431	11.4
69.36762	11.6
71.86763	2.4
75.39782	2.4
81.03375	4.6
84.23991	2.3
85.02900	76.0
86.09734	3.4
91.03947	4.1
96.08115	3.2
97.02873	27.3
98.23468	5.0
99.04461	4.7
103.05475	5.3
109.02887	5.5
120.08134	2.8
121.06462	13.5
125.02397	3.3
127.03918	21.7
131.59180	2.4
140.04659	17.5
145.04950	41.8
149.05969	15.8
151.07542	23.7
153.05455	5.8
163.06047	11.9
166.06200	3.0
181.08583	100.0
221.38057	2.7
268.24338	2.2
334.83188	2.4
370.17828	4.2
385.20111	12.4
522.30573	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	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01866	3.1
55.67442	1.0
57.03437	5.4
61.02925	6.2
69.03426	11.1
71.04967	0.9
71.93928	1.1
73.02923	3.1
81.03422	4.7
83.01350	1.5
85.02905	77.4
91.03958	4.1
91.05500	1.3
93.07039	3.8
96.08098	1.4
97.02892	23.0
99.04459	2.5
103.05457	5.3
107.04946	2.6
109.02892	5.6
115.03873	1.5
121.06515	14.2
123.04479	1.2
125.02348	2.3
126.62201	1.2
127.03906	20.4
131.04895	2.0
135.08107	1.9
137.06018	2.7
140.04684	22.2
145.04967	40.6
149.05981	16.8
151.07552	4.6
153.05486	10.0
163.06035	15.7
163.07370	1.8
180.30911	1.0
181.08595	100.0
197.04364	1.2
236.20090	1.4
238.52756	1.1
247.09750	1.9
316.22696	4.2
325.11160	2.2
360.25476	2.2
360.30908	1.7
385.20105	3.2
522.30078	13.2
522.37158	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	522.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
55.08627	0.4
62.98256	2.2
67.05490	0.8
69.84287	1.5
81.07060	0.7
88.03961	0.5
91.07600	0.4
95.08607	0.4
98.22781	0.5
104.10778	0.5
106.77362	0.4
124.93768	67.1
125.46329	0.4
129.68456	0.5
142.93665	0.6
142.94807	13.5
145.99840	0.4
146.28044	0.4
147.95041	0.5
151.07565	2.4
165.86160	0.4
167.97977	36.5
176.99277	1.2
181.08621	1.6
184.07321	0.9
185.07782	0.5
185.66713	0.4
185.99031	14.1
198.97424	2.7
216.98740	0.5
261.11499	0.4
325.21069	0.8
337.27295	1.4
364.86755	0.5
367.74005	0.5
385.20218	1.0
448.20435	0.6
461.20367	10.4
466.22168	0.8
479.21228	3.8
522.25671	100.0
523.25897	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	522.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28261	0.5
55.05434	1.9
57.03389	0.8
57.03639	0.6
60.08084	3.9
61.08455	0.8
62.98174	7.6
67.05417	2.8
69.06983	1.7
69.22868	0.8
69.23268	2.6
71.07304	1.6
79.05421	0.9
81.06960	3.3
83.08555	0.6
86.09610	17.7
86.10188	1.3
87.09944	4.8
88.03926	0.6
91.05399	0.6
93.06980	0.9
94.49344	0.6
95.08504	2.0
98.22682	1.2
98.98370	2.4
104.10744	5.3
105.10989	1.6
109.10095	0.9
124.93771	36.6
125.00008	11.8
126.00224	1.6
127.00291	2.3
132.65912	0.5
142.63055	0.5
142.94812	4.4
151.07423	2.3
152.59448	0.5
167.97981	35.0
176.99220	1.4
180.96240	1.4
181.08444	1.6
184.07344	46.7
185.07695	19.1
185.99026	4.3
186.07784	11.7
195.38640	0.6
198.97441	2.7
239.31331	0.5
292.95468	0.5
337.27344	10.9
350.26819	0.7
365.77930	0.5
370.17621	0.6
385.20166	1.6
461.20380	100.0
462.20728	3.1
479.21411	1.0
504.33670	1.8
522.25696	85.2
523.26050	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	522.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13422	0.7
53.03930	1.5
55.01859	2.8
55.05497	1.3
56.05028	1.1
57.03436	5.5
61.02925	4.4
67.05506	1.2
69.03431	19.0
69.07065	1.4
69.17860	4.7
70.06590	15.2
71.05000	1.8
72.08160	3.3
73.02916	5.3
74.06060	1.0
75.77154	0.7
76.02220	1.0
79.05479	2.4
79.96597	0.7
81.03423	5.6
81.07050	1.9
82.06582	0.9
83.04988	1.4
84.04497	2.8
84.08137	8.8
85.02903	37.2
86.09711	4.1
87.04475	3.5
89.03938	1.2
90.99627	0.8
91.03941	2.1
91.05486	4.3
93.07040	3.0
94.06557	2.5
95.04967	1.7
96.08124	2.4
97.02893	12.8
99.04456	3.4
101.02414	1.8
105.07037	2.8
107.04957	2.1
107.08559	1.1
108.08122	1.3
109.02866	5.0
109.06541	1.0
110.07182	2.8
112.07610	2.7
113.03439	0.9
113.07070	0.8
114.09152	1.9
115.03983	0.8
117.00082	2.1
117.03407	3.1
117.06987	1.5
119.08591	1.2
120.08092	4.3
121.06479	1.3
122.02722	5.7
122.09666	1.2
123.04427	9.5
127.03908	13.7
127.08691	0.8
129.07019	1.3
129.10226	4.6
131.08600	0.9
132.08118	2.5
133.06430	1.1
133.10149	2.6
134.09671	2.1
135.04424	6.8
135.11676	0.9
136.07564	1.4
137.05908	1.2
137.09619	2.3
140.06989	0.8
143.08601	1.1
145.02843	6.0
145.04947	12.2
145.10127	1.2
146.09645	1.9
147.11581	1.3
148.11186	0.8
149.05983	5.1
149.12094	1.1
150.09145	1.0
151.07596	2.4
158.09694	1.0
159.07890	1.1
160.11179	2.7
160.81578	0.8
161.05977	1.1
161.09639	3.7
162.09238	0.7
163.03905	62.8
163.06071	3.5
163.07561	3.6
164.10698	2.0
165.05493	8.5
172.11217	2.9
174.12831	1.4
175.11220	1.1
176.10715	1.0
177.11557	4.3
177.12787	0.8
178.12256	4.1
180.08736	1.3
180.10161	3.8
181.04950	45.6
181.08575	2.3
182.05414	0.9
183.04752	1.0
186.12827	1.3
190.12260	7.4
191.13054	3.3
192.13835	2.8
194.11768	1.1
195.12564	26.9
195.14301	1.7
203.10674	12.7
204.13899	5.2
205.14539	1.0
218.15401	3.1
221.11687	3.8
253.08980	2.4
271.09943	6.3
324.19550	5.1
341.19977	0.9
342.20605	56.3
343.21091	1.5
354.20584	1.6
360.14853	16.8
360.21667	35.8
383.17117	1.4
384.21341	1.7
385.20023	1.7
504.25934	50.3
505.26151	2.1
513.21100	1.4
521.72192	2.9
522.26971	100.0
523.27118	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	522.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05507	4.5
56.05050	1.9
57.03434	2.4
57.07081	0.8
58.06586	2.0
59.06927	0.4
60.08165	22.7
61.07856	0.4
61.08501	3.8
62.98259	0.4
65.03933	0.7
67.05157	0.6
67.05507	10.9
68.05829	1.2
69.07062	5.2
69.16958	1.9
71.04987	0.4
71.07372	7.9
72.07711	1.6
72.08080	0.3
79.05496	3.2
81.07060	10.5
82.07374	0.9
83.04984	0.5
83.08634	2.8
85.06541	0.6
86.09708	60.6
87.09428	1.4
87.10032	16.8
88.03996	1.7
88.10371	1.4
91.05505	1.9
93.07043	3.3
94.87291	0.3
95.04912	0.4
95.08601	7.2
96.08916	0.5
97.06507	0.8
97.09227	0.4
97.10184	1.1
98.98469	8.0
99.08085	0.4
100.98892	0.7
104.10744	97.3
105.07028	1.3
105.10447	2.1
105.11073	27.1
106.11193	5.3
107.08607	1.2
109.10151	3.0
110.10500	0.5
119.08559	1.1
121.10146	1.3
123.11678	1.4
124.93787	2.1
125.00006	35.7
126.00341	4.9
127.00423	6.4
132.27666	0.4
133.10127	0.9
139.69897	0.3
147.11665	0.8
151.07527	0.5
155.01089	0.8
161.13190	0.6
163.01627	0.6
167.98021	2.0
177.16367	0.3
181.03049	0.4
184.07344	100.0
185.07700	37.5
185.09486	0.7
186.07790	24.0
192.64757	0.3
263.23788	0.6
337.27362	32.3
338.27664	1.6
339.27939	0.7
385.20325	0.4
429.07492	0.4
461.20300	5.7
503.33160	1.0
504.33572	10.9
521.34235	3.7
522.25684	5.0
522.34521	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05507	4.5
56.05050	1.9
57.03434	2.4
57.07081	0.8
58.06586	2.0
59.06927	0.4
60.08165	22.7
61.07856	0.4
61.08501	3.8
62.98259	0.4
65.03933	0.7
67.05157	0.6
67.05507	10.9
68.05829	1.2
69.07062	5.2
69.16958	1.9
71.04987	0.4
71.07372	7.9
72.07711	1.6
72.08080	0.3
79.05496	3.2
81.07060	10.5
82.07374	0.9
83.04984	0.5
83.08634	2.8
85.06541	0.6
86.09708	60.6
87.09428	1.4
87.10032	16.8
88.03996	1.7
88.10371	1.4
91.05505	1.9
93.07043	3.3
94.87291	0.3
95.04912	0.4
95.08601	7.2
96.08916	0.5
97.06507	0.8
97.09227	0.4
97.10184	1.1
98.98469	8.0
99.08085	0.4
100.98892	0.7
104.10744	97.3
105.07028	1.3
105.10447	2.1
105.11073	27.1
106.11193	5.3
107.08607	1.2
109.10151	3.0
110.10500	0.5
119.08559	1.1
121.10146	1.3
123.11678	1.4
124.93787	2.1
125.00006	35.7
126.00341	4.9
127.00423	6.4
132.27666	0.4
133.10127	0.9
139.69897	0.3
147.11665	0.8
151.07527	0.5
155.01089	0.8
161.13190	0.6
163.01627	0.6
167.98021	2.0
177.16367	0.3
181.03049	0.4
184.07344	100.0
185.07700	37.5
185.09486	0.7
186.07790	24.0
192.64757	0.3
263.23788	0.6
337.27362	32.3
338.27664	1.6
339.27939	0.7
385.20325	0.4
429.07492	0.4
461.20300	5.7
503.33160	1.0
504.33572	10.9
521.34235	3.7
522.25684	5.0
522.34521	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24244	0.5
58.06586	0.6
63.84504	0.6
67.05527	0.7
69.03445	1.6
69.46199	1.1
69.46590	1.7
70.06579	1.0
72.08157	0.8
81.07054	0.9
82.06574	6.9
85.02893	4.2
91.03944	0.7
91.05505	0.7
94.06551	1.4
95.08627	0.6
96.08130	10.3
97.02861	0.8
97.08839	0.6
98.09696	1.8
98.23495	0.8
109.02900	0.6
109.08852	1.0
110.09676	1.4
119.08580	0.5
123.04432	6.5
127.03911	1.1
129.06967	0.7
137.05981	1.4
138.12793	1.0
145.04926	1.5
148.56876	0.6
151.03865	1.4
151.07535	4.2
152.10689	1.6
152.14374	1.5
163.07610	0.9
166.15919	2.3
171.04349	0.7
175.07460	0.6
180.17464	1.8
181.08574	5.0
189.09096	1.0
194.19072	1.3
203.55096	0.5
208.16975	1.6
219.10141	5.1
222.18584	1.0
236.20073	17.4
236.40079	0.6
247.13113	0.7
316.22681	34.6
332.22168	3.2
345.48022	0.6
359.14948	1.8
360.25345	26.5
360.30707	1.9
370.17859	1.4
385.19955	4.1
522.30481	100.0
523.30664	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62032	0.2
55.05515	0.4
56.05035	0.6
57.03440	0.2
58.06374	0.2
58.06631	0.5
60.08168	6.0
68.16778	0.2
69.07066	0.4
69.75542	0.5
71.07375	2.7
73.19917	0.2
83.08614	0.5
86.09710	29.3
95.08636	0.3
97.10184	0.2
98.98470	2.9
104.10751	2.9
125.00008	20.7
153.73495	0.2
161.45793	0.2
184.07347	100.0
185.07674	0.7
204.40170	0.2
237.59091	0.2
244.68555	0.2
339.29059	0.2
354.91629	0.2
504.34790	1.2
522.35522	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.81662	0.5
55.05505	1.7
56.05025	1.5
58.06606	1.7
60.07872	0.9
60.08165	15.9
69.07057	2.1
69.19124	1.9
69.19543	1.2
71.07381	7.2
78.50725	0.6
79.60911	0.5
79.85052	0.6
81.07047	0.8
83.08622	1.5
86.09707	48.5
89.36870	0.6
95.08595	1.4
97.10188	0.6
98.22667	1.2
98.98478	4.2
104.10742	91.8
116.59671	0.5
125.00002	28.0
134.96147	0.5
135.11591	0.6
136.34015	0.5
163.01610	0.7
184.07341	100.0
226.06502	0.6
242.50716	0.5
258.11008	0.9
281.19077	0.6
296.36087	0.5
339.28839	1.0
457.67764	0.6
465.71994	0.5
504.34506	8.3
522.35565	35.0
523.35925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	1.1
55.05405	2.1
55.05700	0.9
56.04934	1.4
56.05185	1.0
57.03324	5.6
57.03640	2.2
58.06499	1.3
58.06766	1.0
58.67338	0.5
61.02816	1.4
67.05385	10.2
67.05787	2.5
69.03306	5.0
69.03718	0.9
69.06947	5.2
69.07352	1.0
69.74867	1.8
70.06468	1.7
71.04864	3.3
71.05297	0.9
72.04410	1.1
72.08032	5.3
72.08474	1.0
73.02829	0.7
78.50970	0.5
79.05359	7.2
79.05876	1.1
81.03279	2.0
81.06924	13.5
81.07452	2.0
83.04898	0.8
83.08480	2.5
84.08008	3.3
85.02770	8.5
85.03336	1.0
85.06407	1.8
86.09580	2.4
87.04385	0.9
91.05344	2.7
93.06903	7.4
95.04898	0.9
95.08466	11.0
95.09131	1.3
97.02753	4.0
97.06384	6.3
97.07057	0.7
97.10071	1.0
98.09552	19.9
98.10232	1.9
99.07945	4.8
102.09035	0.8
105.04395	0.6
105.06878	2.7
107.08443	4.6
109.02784	0.8
109.10007	4.4
111.07946	1.9
112.38914	0.5
113.09605	2.4
115.07490	1.0
119.08576	2.7
120.07981	1.5
121.09983	4.4
124.11110	0.8
125.09525	0.9
127.03764	2.2
128.10597	1.8
131.08429	1.2
133.09982	2.0
135.11671	3.0
136.53760	0.5
142.12283	15.3
145.09946	0.8
147.11534	2.0
147.12608	0.6
149.13240	3.4
156.13725	0.6
159.11568	0.7
161.13116	1.0
175.14737	0.7
183.43987	0.5
185.15370	0.8
201.03580	0.5
278.24811	0.6
296.25922	1.0
298.27435	1.8
314.26822	2.3
324.28989	1.3
342.26321	2.1
342.30026	13.6
355.58405	0.6
358.30002	0.7
360.27322	8.5
360.31128	77.4
361.31345	1.8
402.32101	0.7
501.48932	0.6
522.36621	100.0
523.36743	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	522.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61805	0.3
53.03945	0.9
55.01876	0.7
55.05507	1.0
55.20734	0.3
56.05036	0.9
57.03441	5.3
58.06587	0.6
61.02929	1.6
67.05504	4.8
69.03429	6.7
69.07065	3.0
70.70171	0.4
71.04990	1.8
72.04511	0.8
72.08157	4.7
73.02928	1.7
78.12424	0.3
78.67571	0.3
79.05488	2.9
81.03410	2.0
81.07059	6.7
83.05007	0.4
83.08617	1.0
84.08129	0.4
85.02903	11.9
85.03416	0.6
85.06546	1.1
87.04482	1.1
91.05472	1.5
93.07039	3.3
95.04964	0.4
95.08604	4.4
97.02890	4.2
97.06522	3.0
98.09688	13.5
99.04459	1.2
99.08091	2.3
101.02377	0.4
105.07043	1.0
107.08580	1.8
109.02847	1.5
109.10163	0.8
111.08105	0.6
113.09641	1.0
115.07574	0.3
119.08609	0.9
121.10159	1.3
124.11228	0.5
125.09632	0.5
127.03914	1.9
133.10149	0.8
135.11711	1.0
142.12256	6.1
144.97050	0.3
145.05003	0.7
145.10143	0.4
147.11699	0.7
149.13283	1.1
158.15408	0.4
159.11705	0.4
175.14882	0.3
176.95428	0.3
189.34550	0.3
340.52026	0.3
342.29996	5.5
360.31085	13.7
504.35403	2.4
522.36353	100.0
523.36658	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	523.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34367	0.5
55.01865	0.8
57.03418	0.8
63.43968	0.6
66.04314	0.6
69.63120	0.5
70.34084	0.9
77.17991	0.6
81.83848	0.5
83.35528	0.6
85.02892	1.2
91.05475	1.6
96.08134	0.7
103.05508	0.7
115.05422	1.7
117.06983	0.7
120.13108	0.6
123.04420	1.3
128.06203	1.8
129.06998	8.1
130.81372	0.6
131.04912	2.0
131.08563	7.5
137.05952	2.9
137.06897	0.6
141.06975	5.6
143.08598	1.0
144.05705	1.1
145.06429	0.8
151.07573	0.8
157.06514	5.5
158.07251	2.6
159.08035	5.9
160.05252	0.8
163.07585	0.7
169.06506	3.2
170.07234	1.4
173.09688	0.6
174.06761	14.3
175.07510	4.1
186.06821	3.0
187.07391	0.6
188.08241	1.1
189.09100	21.8
191.10612	1.5
201.09103	9.7
207.10112	0.9
219.10159	100.0
220.10428	1.9
229.06676	0.6
237.20490	0.7
250.30670	0.6
316.22577	1.3
317.22906	0.9
327.12027	0.9
335.72101	0.6
360.15112	0.9
361.25861	0.7
362.27130	0.9
503.91202	0.7
523.30664	4.4
523.37213	1.1
524.32166	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79681	0.5
67.05503	0.6
71.44789	0.6
85.02894	1.5
91.05489	1.8
98.09679	0.6
108.87564	0.6
115.05450	1.4
115.11528	0.6
117.07047	0.7
122.03667	0.6
123.04410	1.1
127.77975	0.5
128.06194	1.5
129.07004	5.7
131.04900	1.1
131.08565	7.3
137.05981	3.2
141.06970	4.8
142.15553	0.6
144.05688	1.5
145.06500	1.0
151.03908	0.9
157.06508	5.1
158.07243	3.2
159.08057	5.6
160.05130	0.9
161.09549	1.0
162.06563	0.8
163.07544	1.1
169.06465	3.6
170.07286	1.4
171.04407	0.7
173.05925	1.4
174.06755	12.9
175.07515	3.1
186.06757	3.3
188.08286	1.6
189.09100	24.3
191.10681	1.5
201.09123	9.1
219.10158	100.0
220.10529	1.7
238.21719	0.8
268.76944	0.6
316.22870	1.5
327.12469	1.0
360.15356	0.7
362.26736	1.7
383.49323	0.6
522.36096	1.6
523.30219	1.4
523.36713	1.8
524.32037	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	523.2333
Annotation	Benzoylgomisin H
Peak:m/z	Relative Intensity
51.02380	1.4
53.03951	3.4
56.37458	0.5
66.81463	0.6
68.52583	0.6
71.44781	0.8
77.03939	3.2
91.05516	0.7
95.04967	14.0
96.05378	0.7
98.37498	0.6
101.71213	0.7
105.03391	100.0
105.04405	7.1
106.03724	0.6
117.13242	0.6
181.08655	1.2
240.07896	0.6
257.08255	0.8
267.10239	0.7
270.05560	0.7
279.10062	0.9
282.08774	0.7
285.07358	0.7
285.11365	0.7
291.10416	0.7
294.12463	0.7
295.13403	1.0
299.09442	1.0
300.65475	0.6
303.08679	0.7
309.15125	0.7
312.09897	1.0
313.10779	1.5
317.10184	1.6
318.10953	1.8
323.12802	2.3
327.12244	1.7
331.11923	1.0
332.12552	0.9
337.14432	3.4
338.15265	1.4
339.12183	0.9
339.15958	1.4
354.14328	1.1
355.15491	1.9
359.14874	1.8
369.16995	4.8
370.17728	4.1
386.17010	0.8
401.19525	7.8
435.14148	1.0
449.15750	1.0
473.19507	1.6
474.20337	1.8
505.22183	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	523.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46940	1.0
75.27373	0.7
93.86956	1.0
97.87707	0.8
115.36979	0.8
119.17859	0.8
345.61804	0.8
352.10797	1.0
523.28802	100.0
524.29126	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	523.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56576	0.3
53.24103	0.3
67.05504	0.4
68.05833	0.2
69.28257	1.1
77.41091	0.3
90.68938	0.3
95.08569	0.3
151.07524	0.4
153.16071	0.3
185.04167	0.4
198.42032	0.3
298.36227	0.3
334.24423	0.5
361.23221	0.4
386.20523	0.4
430.40286	0.3
453.92841	0.3
485.36462	0.3
523.28772	100.0
524.29028	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08849	0.4
54.48741	0.4
58.65631	0.5
60.05362	0.6
60.05651	11.8
70.06592	15.8
70.35914	0.8
72.08121	0.7
82.44859	0.4
83.26320	0.4
84.08147	0.6
89.93513	0.4
92.65617	0.4
112.08706	1.4
116.07096	9.3
130.09766	4.2
136.06154	1.0
138.82310	0.4
157.10880	1.4
158.09247	4.5
175.11903	100.0
176.12297	1.0
192.07970	0.5
216.98816	0.9
233.28241	0.4
248.62498	0.4
250.82971	0.4
270.99701	0.5
300.25629	0.5
349.23236	2.5
368.03885	0.5
411.17981	0.4
484.87024	0.5
521.75177	0.5
524.26367	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	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.5
56.22348	3.6
57.03450	4.8
57.07070	7.3
58.51939	4.0
67.05508	23.1
69.03421	10.6
69.06708	7.9
69.07070	100.0
70.06587	14.0
71.04992	5.2
71.46135	4.0
72.08157	5.4
79.05480	9.9
81.07057	62.1
83.04942	7.7
83.08617	15.5
84.08121	7.8
85.02916	12.4
85.06538	17.2
86.09719	39.7
91.05490	13.0
93.07050	22.0
95.04956	13.3
95.08619	40.7
97.02926	7.0
97.06528	12.1
98.09688	3.8
99.08051	7.5
101.79111	3.8
105.07034	12.6
107.08566	18.5
109.06561	7.0
109.10118	24.8
111.11708	22.0
111.13857	3.8
119.08602	12.0
120.08109	16.3
121.10146	23.1
123.11710	36.3
127.03891	7.5
127.11214	8.4
133.10196	6.0
135.08017	5.0
135.11652	9.1
137.13306	5.1
139.11179	24.4
143.08641	4.2
145.10112	5.1
147.11708	6.6
149.09633	5.7
149.13208	7.0
151.07516	5.0
151.14812	8.2
155.10637	4.4
157.10173	5.5
157.12247	5.6
161.13324	7.0
165.12830	7.9
171.11690	11.1
177.12766	5.3
179.14296	8.1
181.08554	4.7
289.25305	9.6
295.26312	40.6
307.26285	77.3
308.26596	4.9
310.45724	4.3
325.27414	15.5
413.56824	4.8
489.32468	4.7
523.21503	8.1
523.28223	28.8
524.31989	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	524.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39942	0.3
51.84491	0.4
55.01870	0.8
55.62317	0.3
57.03423	0.3
58.37796	0.3
61.02909	0.5
62.19040	0.3
69.03456	1.7
69.03746	0.4
69.39457	1.0
69.39865	0.7
72.79510	0.3
79.05489	0.9
81.03407	0.9
82.66959	0.3
85.02905	4.4
89.36050	0.3
91.03944	0.5
91.05486	3.2
93.07046	0.7
94.04168	1.7
97.02882	1.1
98.22696	0.7
103.05476	2.6
105.03348	0.6
105.07029	2.3
107.04973	0.4
109.02825	0.4
109.06503	0.7
115.05492	0.6
117.07005	1.3
119.04947	3.9
121.06502	1.2
122.03627	3.9
123.04430	1.0
125.92960	0.3
127.03913	0.5
129.06964	0.7
131.04930	7.3
133.06474	2.3
137.05977	100.0
138.06308	0.7
139.07541	0.5
144.10231	0.4
145.05025	0.5
145.06473	4.0
147.04408	16.1
149.05971	3.2
151.07602	0.7
157.06476	0.7
161.05980	19.0
162.06744	1.6
163.07532	4.0
173.05988	8.7
175.07532	0.5
178.07875	0.6
179.07037	1.8
185.05994	1.7
190.07750	0.6
191.06984	1.9
191.08578	3.9
193.08611	1.7
202.07716	0.8
203.07037	1.5
203.08699	2.1
218.07202	0.5
219.08069	5.2
220.08813	0.7
221.07906	0.4
221.09779	0.6
231.08028	3.1
236.08278	1.0
237.09116	1.9
247.07568	1.9
248.08284	0.8
249.09198	1.6
251.10677	4.8
259.07492	1.7
260.08508	0.5
263.10577	0.4
264.07910	0.4
265.08566	2.6
266.09372	0.7
269.11749	0.6
277.08551	4.7
279.10181	2.4
282.08783	0.8
291.10165	1.1
295.09738	1.0
297.11224	21.0
309.11188	7.8
315.12332	4.7
327.12256	7.4
345.13293	0.8
362.28598	0.4
524.33759	1.0
550.02307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
58.06606	1.9
61.02916	1.7
61.28556	1.4
69.03429	7.0
70.06593	9.1
73.02919	1.8
79.05481	2.2
81.03421	2.2
82.06593	1.4
85.02915	8.1
87.04432	2.0
96.08103	2.5
97.02882	4.3
103.05489	2.3
112.07554	1.4
120.08091	2.0
122.09679	2.0
123.04441	11.4
127.03951	2.0
127.09953	3.7
134.09636	1.9
135.11768	2.9
137.05992	3.6
140.10748	3.6
147.04427	2.1
149.05974	10.2
175.95842	1.5
224.16307	1.7
278.93362	1.6
326.21216	4.0
344.22180	22.6
362.23257	52.1
483.19724	1.8
506.27527	2.5
522.69391	1.7
524.28479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
58.06596	2.3
61.02909	1.9
65.35477	0.9
66.40957	1.0
69.03436	5.5
70.06602	9.5
71.44245	1.1
72.18407	1.0
72.58147	1.3
73.02916	2.0
77.18022	1.1
79.05480	2.0
84.08122	1.9
85.02914	8.4
87.04460	1.6
94.06526	2.0
96.08161	1.6
97.02894	3.6
108.08133	1.5
112.07613	1.4
123.04444	10.4
127.03959	1.1
127.09911	1.4
134.09560	1.1
136.06247	1.1
136.11240	1.2
137.05994	2.0
140.10692	3.7
147.04388	1.5
149.05995	8.7
153.43034	1.2
161.82841	1.2
193.08553	2.0
198.89282	1.3
249.28119	1.2
326.21167	3.6
344.22189	21.4
344.26547	1.7
362.23257	52.0
362.28342	2.4
395.13516	1.2
404.24731	1.6
405.08270	1.2
493.32632	1.1
506.27069	1.4
524.28400	100.0
525.28821	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	524.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
57.03439	6.2
67.05502	24.3
69.07070	8.4
69.86984	5.2
79.05499	13.9
81.07055	21.2
83.08619	4.5
86.09713	9.5
87.10046	3.4
91.05481	6.3
93.07063	15.0
95.08600	20.4
98.98475	4.1
99.69707	2.4
105.07018	6.0
107.08619	6.8
109.10164	5.7
119.08611	6.8
121.10138	5.8
125.00008	3.2
127.00436	3.2
131.08575	2.5
137.19844	2.0
158.28619	2.0
184.07356	12.2
185.07719	7.9
186.07726	10.8
187.08104	5.6
211.98656	2.0
258.50983	2.0
292.07211	2.2
308.37296	2.0
335.25797	100.0
337.27457	2.5
338.27591	2.6
339.28067	8.8
362.23318	4.9
524.34900	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.05014	0.2
58.06576	0.2
68.33409	0.2
69.03413	0.2
69.07030	0.2
69.66934	0.5
70.06588	1.0
70.51199	0.2
71.04973	0.5
81.07037	0.4
82.06172	0.2
82.06583	2.5
84.08116	0.7
94.06565	0.9
94.19018	0.2
95.04898	0.2
95.08574	0.2
96.08131	8.8
108.08093	0.4
109.08867	0.5
110.09674	1.5
122.09673	0.8
123.03543	0.3
123.04423	3.2
123.10433	0.2
124.11234	0.5
136.11221	0.3
136.57518	0.2
138.12785	1.4
141.11421	1.2
152.14349	1.9
154.12265	8.8
164.42043	0.1
166.15919	2.7
168.13847	0.7
168.39020	0.2
180.17458	2.4
194.19089	1.1
196.17033	0.2
208.20589	0.2
210.18518	0.5
211.87170	0.1
219.10165	0.5
220.10493	0.7
220.20593	0.4
224.20103	1.2
238.21654	21.3
239.21909	0.4
252.23164	0.4
292.22787	0.7
304.22690	2.0
316.22702	20.1
317.23132	0.7
342.24356	0.2
344.25946	1.7
361.26117	0.6
362.26877	24.7
363.27206	0.8
506.31088	0.3
524.32178	100.0
525.32495	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45709	0.3
52.19220	0.4
53.03912	0.7
55.01831	1.3
55.05514	2.3
56.04995	1.6
57.03444	8.9
57.03695	0.6
57.07030	0.4
58.06584	0.5
61.02920	1.9
65.03908	0.8
67.05510	6.6
67.57456	0.3
69.03426	6.2
69.07071	5.2
70.06560	0.4
70.69266	0.5
71.04946	1.5
72.04466	1.1
72.08159	4.7
73.02923	0.7
73.48479	0.3
75.89804	0.3
79.05487	3.1
81.03373	1.5
81.03798	0.4
81.07059	9.8
83.04945	0.7
83.08575	1.5
84.08125	0.5
85.02909	8.8
85.06508	0.9
87.04411	1.0
91.03922	0.7
91.05482	23.2
93.07053	3.4
95.08611	9.6
97.02914	3.7
97.06534	6.5
97.10109	1.2
98.09695	23.3
99.04423	0.8
99.08096	6.2
102.09111	0.7
105.06456	0.4
105.07027	3.9
107.08586	2.0
109.02811	1.0
109.10166	2.3
111.08027	1.0
113.09647	3.1
115.03917	0.4
115.05438	0.9
115.07517	1.3
117.07017	17.5
119.08495	0.6
121.10187	2.1
123.11686	0.7
124.11178	0.8
125.09570	0.8
127.03863	1.5
128.06187	0.5
129.07040	2.8
131.08569	25.1
135.11707	2.0
141.06950	0.7
142.12277	16.7
143.08592	2.6
145.04927	0.5
145.10144	2.5
149.13289	0.7
156.13750	0.9
157.10080	1.2
158.15340	0.7
169.10193	0.4
171.10336	0.4
171.11656	1.6
185.13254	0.9
187.14769	0.6
211.14822	0.3
265.87854	0.4
281.22733	0.6
299.23648	1.2
326.28583	0.4
344.29456	11.6
362.30530	100.0
363.30856	2.7
404.31342	0.7
506.34741	0.5
521.76355	0.4
524.35846	83.0
525.36108	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	524.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44329	1.4
53.03940	2.2
55.05517	2.3
56.05018	1.6
56.94329	1.5
57.03428	5.6
61.02927	3.3
65.39455	1.8
67.05506	3.7
68.42175	1.5
69.03436	4.2
69.07070	3.0
70.06588	2.3
70.54563	1.4
72.08160	20.3
79.05494	5.1
81.07053	18.8
84.08158	2.5
85.02917	8.5
91.05482	26.6
93.07054	2.7
95.08601	8.0
97.02911	3.2
97.06578	2.9
98.09704	11.0
99.08081	2.9
105.07053	3.2
109.10151	1.8
113.09628	2.5
117.07030	18.7
121.10178	2.0
124.11276	2.0
129.07024	4.8
131.08597	11.2
142.12317	4.4
143.08557	4.7
145.10165	2.3
157.10159	2.0
171.11708	1.8
185.13338	5.9
299.23868	3.0
307.60489	1.6
344.29492	39.5
362.23312	4.8
362.30518	65.6
524.29333	3.6
524.35834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3718
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05501	0.4
56.05037	1.2
57.07080	2.6
57.26025	0.2
57.98102	0.3
58.06602	1.2
60.08165	17.1
65.71429	0.3
67.05491	0.4
69.07066	0.5
69.25690	0.8
69.26084	0.5
71.07378	6.5
71.08627	1.9
81.07069	0.5
83.08623	0.5
85.10189	1.2
85.60086	0.3
86.09708	49.1
87.10022	0.5
95.08621	0.8
98.83537	0.3
98.98462	3.6
104.10747	100.0
105.11063	0.7
125.00008	26.9
137.18144	0.3
163.01526	0.5
184.07346	93.5
185.07768	0.3
248.71576	0.3
258.11115	1.3
341.30392	1.7
447.28995	0.3
506.36081	8.4
524.24377	1.2
524.37122	36.2
525.37439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3718
Annotation	PAF C-16
Peak:m/z	Relative Intensity
60.08170	6.0
62.23627	0.8
67.55560	0.7
70.24014	0.7
71.07391	3.8
71.46355	0.7
72.96381	0.6
74.36181	0.7
86.09709	32.8
98.98466	2.7
104.10755	2.6
118.13667	0.8
125.00008	22.2
132.35091	0.7
171.75507	0.7
172.95163	1.3
177.12677	1.1
184.07347	100.0
233.85606	1.0
254.96457	0.7
348.25443	0.8
396.83853	0.8
412.24582	1.8
506.35834	1.5
524.37048	3.0
525.17517	2.1
542.25153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.3
57.03446	11.7
57.07067	1.9
57.40204	1.4
59.04995	5.9
59.13252	1.2
65.03944	3.0
67.05508	100.0
69.07073	9.6
71.04987	3.8
77.03902	2.3
79.05499	20.2
81.07060	42.2
83.08621	5.9
85.06530	3.5
88.05050	1.5
91.05478	12.8
93.07050	24.0
95.04956	3.1
95.08608	25.5
97.10173	1.8
98.22745	2.5
105.07021	8.4
107.08602	12.4
109.10160	74.1
111.08092	2.7
117.07037	1.9
119.08594	9.9
121.10152	11.0
123.11721	2.1
125.09615	2.5
131.08540	5.3
133.10123	3.4
135.11673	6.5
137.09645	4.1
145.10135	4.6
147.11710	3.2
149.13243	5.1
155.10661	7.4
159.11662	2.6
161.13260	3.1
163.14864	3.2
173.11732	11.1
173.13138	2.6
227.12749	3.6
229.14355	73.7
243.21069	3.6
261.22150	11.6
317.24652	1.9
335.25803	69.1
336.25925	2.1
489.35776	42.0
490.35651	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	525.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60929	0.4
69.10809	0.9
69.11205	2.5
96.92822	0.8
96.98618	0.4
132.66910	0.5
153.30226	0.5
159.19792	0.4
182.40190	0.5
182.94572	100.0
183.95003	0.6
238.62892	0.4
240.98917	0.5
242.95731	0.8
381.07922	8.4
449.98166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.05510	19.9
57.03440	4.3
57.07067	11.5
59.04994	3.4
67.05511	23.7
69.03424	4.8
69.06708	5.5
69.07065	79.9
70.06592	3.2
70.57732	4.3
71.04996	3.3
71.08622	6.2
75.66914	2.7
79.05486	14.3
81.03414	2.5
81.07056	100.0
82.07412	2.8
83.04998	2.9
83.08616	21.9
84.08134	7.7
85.02897	13.6
85.06544	16.9
91.05509	6.8
93.07048	37.7
94.99957	2.7
95.08604	82.9
97.02880	3.2
97.06524	7.5
97.10161	7.6
98.09675	4.2
99.08094	13.0
105.07027	8.8
107.08590	33.3
107.27489	2.4
109.10152	40.1
110.09730	3.1
111.08058	15.7
111.11716	26.8
113.09670	3.0
119.08558	4.9
121.10141	21.5
123.11711	39.7
125.09583	3.5
125.13286	5.9
127.11169	8.2
128.10728	6.2
129.12750	2.9
133.10112	3.9
135.11708	16.4
137.13274	33.5
139.11166	20.5
147.11732	4.0
149.13268	34.9
153.12766	24.1
155.14325	11.0
157.12219	2.9
159.11722	4.1
163.14812	8.0
167.14333	9.9
171.13788	10.4
173.15349	4.4
177.16345	5.5
191.17912	4.3
225.00972	3.2
231.63094	2.8
248.13168	2.6
273.25964	4.1
279.26813	9.1
291.26730	20.5
297.27841	17.3
309.27859	71.8
315.28986	5.2
327.28986	12.3
345.29968	11.6
346.27585	4.4
363.23386	3.4
363.27484	4.2
364.28207	5.5
421.20187	2.7
489.28708	2.9
505.93683	2.9
525.22931	5.3
525.30621	21.4
526.34241	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	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74459	1.3
66.77596	1.2
67.05502	3.0
69.03438	3.2
69.04839	1.3
69.70658	5.3
69.95796	1.4
70.06587	2.5
73.01511	1.3
79.05492	3.9
81.07063	8.8
85.02901	6.2
85.06554	1.3
86.09711	1.8
91.05482	3.2
93.07050	4.7
95.08608	5.4
97.02887	2.8
98.23295	2.4
105.07049	5.0
107.08595	3.9
108.01733	1.4
109.10162	1.9
117.07022	2.4
119.08553	2.4
121.06561	1.9
121.10122	1.4
123.04396	1.3
128.78737	1.3
129.07013	5.0
131.08595	3.3
133.10118	3.4
141.06985	8.4
142.08647	2.3
143.08548	5.5
145.10106	6.5
147.11656	2.2
155.08536	12.2
157.10143	7.3
159.11662	3.5
169.10104	3.3
171.11743	2.4
173.09619	2.0
181.10114	3.4
183.11673	3.3
185.06023	1.7
185.13254	6.3
195.11729	10.1
197.13266	6.2
199.07607	2.8
199.14780	7.1
209.13326	9.3
211.14803	6.8
223.11205	4.2
227.10698	2.4
227.14349	2.6
227.17896	23.2
237.12680	3.5
237.16365	26.7
239.17883	8.3
241.12227	4.2
255.13812	4.8
255.17453	26.8
255.19887	2.3
265.15933	13.4
273.18549	5.9
283.16919	100.0
284.17184	2.4
285.18518	5.0
301.18002	37.8
311.16428	21.5
329.17450	51.9
346.23721	7.5
347.18546	45.6
347.21994	0.9
526.30200	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	526.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05510	0.6
56.05030	0.4
57.03432	0.4
65.45457	0.2
67.05505	0.4
68.05031	2.4
69.03417	0.7
69.07082	1.2
70.06594	2.3
70.51615	0.4
72.08166	0.4
79.05495	5.6
79.05956	0.5
80.05011	0.8
81.03414	0.4
81.05801	3.6
82.06597	0.2
84.05301	0.2
84.08132	0.3
85.02908	1.6
86.09709	0.5
86.97256	0.2
87.04460	0.3
94.06567	4.3
95.04958	0.4
96.08132	39.1
97.02885	0.8
98.09712	0.2
98.22723	0.2
99.04464	0.4
105.04474	0.3
109.02897	0.2
110.09676	0.5
114.09171	100.0
115.09509	0.7
115.37454	0.2
120.08136	0.2
121.10120	0.3
123.04467	1.2
127.03934	0.7
128.10776	0.5
145.05043	0.3
151.04901	0.2
154.79802	0.2
160.60579	0.2
167.10767	0.2
175.31165	0.2
196.18491	0.2
225.03285	0.2
276.14383	0.4
299.34976	0.2
325.88821	0.2
340.16183	0.3
346.23706	1.6
364.24826	13.7
365.25266	0.5
365.60156	0.2
392.02957	0.2
508.29187	0.8
526.30151	39.4
527.30847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3023
Annotation	Protoverine
Peak:m/z	Relative Intensity
53.03915	0.6
54.40094	0.2
55.01839	0.7
55.05487	0.6
56.05003	0.4
57.03435	1.7
58.06575	0.4
61.02930	1.8
67.05496	1.2
67.05770	0.3
69.03434	5.2
69.07029	1.2
69.60728	1.1
69.61060	0.2
70.06590	6.3
70.97079	0.2
71.01318	0.3
71.04967	0.5
72.08112	0.9
73.02908	1.8
74.06063	0.4
75.12590	0.2
76.99454	0.2
79.05485	1.7
80.05001	0.5
81.03410	1.9
81.07053	1.6
82.06583	1.2
83.07358	0.5
84.08149	1.6
85.02903	7.3
86.09688	0.6
87.04475	1.8
91.03941	0.6
91.05437	1.2
93.07043	1.4
94.06573	2.4
95.04911	0.9
95.08571	0.7
96.08114	2.2
97.02899	3.1
98.06023	0.4
98.09663	0.6
98.23412	0.3
99.04412	1.0
99.83695	0.3
101.02346	0.5
105.07034	1.2
106.06549	0.3
107.04915	0.8
107.07330	0.6
107.08542	0.8
108.08125	2.0
109.02832	1.0
109.08858	1.1
110.07121	0.9
110.09682	2.2
112.07614	1.6
114.09124	0.3
119.04914	0.3
119.08532	0.4
120.08057	1.0
121.06451	1.1
121.10120	0.3
122.09669	5.5
123.03524	0.6
123.04427	11.8
124.11150	0.3
126.09073	0.3
127.03904	2.2
127.09936	5.9
129.10249	0.4
133.10114	0.3
134.09622	0.6
135.08026	0.3
136.07501	0.5
136.11160	1.1
137.05905	0.4
140.09642	0.5
140.10690	7.3
145.04933	0.5
147.04376	0.5
148.11134	0.7
149.05989	2.2
150.12749	0.8
152.10667	0.9
153.11449	0.5
154.12248	0.5
162.12796	0.5
163.07547	1.4
164.14342	0.3
166.12288	2.0
167.06978	1.0
167.13023	0.6
174.96310	0.3
180.13805	0.9
185.08040	0.4
194.15520	0.4
198.14954	0.3
203.10513	0.3
204.17421	0.7
222.18591	3.4
224.20070	0.3
229.08508	0.5
230.08975	0.4
231.09119	0.7
240.19577	0.8
288.19516	0.5
312.19467	0.3
326.21082	1.1
328.22711	9.3
329.23047	0.3
345.22864	0.4
346.23767	42.9
347.24118	1.4
363.23657	0.7
364.24753	15.6
365.25204	0.7
388.24692	1.0
508.29089	7.4
526.30103	100.0
527.23230	0.4
527.30450	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	526.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45481	5.7
57.07069	6.9
67.05521	14.1
69.07076	13.4
69.87034	14.2
69.87416	10.9
81.07058	14.3
86.09721	32.4
93.07067	7.6
95.08607	15.7
98.23372	8.5
98.97572	7.3
99.89164	5.7
104.10726	20.4
109.10188	7.1
125.00013	11.6
127.00447	7.4
184.07303	45.4
185.07687	11.0
186.07837	29.8
187.08093	9.3
195.08899	5.6
337.27393	100.0
384.45642	5.9
465.44513	6.6
478.32748	8.8
526.31378	10.4
527.22314	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	526.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.0
53.16801	2.7
55.05506	9.4
56.02738	2.1
57.03435	4.6
66.11993	2.0
66.58697	2.2
67.05507	19.7
68.33266	2.1
69.07068	13.2
69.75590	2.4
71.21575	2.3
76.87354	2.0
79.05490	5.9
81.07043	18.1
83.08617	3.7
86.09692	4.9
87.10015	3.0
95.08614	16.7
98.98476	5.2
104.10741	9.9
105.07013	2.7
105.11098	5.2
109.10126	6.3
119.24117	2.4
123.11660	2.9
125.00074	2.4
133.10097	3.6
135.02396	2.4
139.58185	2.2
184.07330	6.3
185.07608	3.7
186.07777	3.3
247.29980	2.3
337.27362	100.0
338.27762	4.0
351.26709	2.3
405.96378	1.9
526.36121	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	526.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.05038	0.3
57.03436	0.7
58.06599	0.8
59.39787	0.4
61.02914	1.3
67.05495	1.0
69.03431	2.8
69.07027	0.4
70.06594	4.9
71.04980	0.7
72.08161	0.6
73.02905	0.8
81.03409	0.6
81.07061	1.0
82.06577	0.4
84.08130	2.5
85.02902	4.2
86.09715	0.7
87.04477	0.9
88.07636	4.9
91.03989	0.5
95.08592	1.2
96.08121	2.3
97.02880	1.7
98.09674	1.7
99.04447	0.5
107.04923	0.4
109.10170	0.7
110.09679	7.2
111.10468	2.3
112.11247	1.9
123.04427	9.9
124.11234	2.4
127.03928	0.7
128.10725	1.5
138.12782	1.2
145.96867	0.3
152.14340	0.4
163.07593	0.6
166.15857	0.5
194.18987	0.4
197.08817	0.4
208.20631	1.1
222.22160	10.8
240.23357	1.3
318.24277	11.0
319.24536	0.6
345.26553	1.2
346.27399	17.1
364.28442	18.2
365.28906	0.8
462.58856	0.4
508.32697	11.8
526.33734	100.0
527.34021	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	526.3376
Annotation	5-O-Desosaminylplatenolide I
Peak:m/z	Relative Intensity
53.03951	0.3
55.05511	0.5
56.05036	0.8
57.03429	1.5
58.06598	2.9
60.70525	0.2
61.02924	0.9
66.36486	0.2
67.05499	1.2
69.03426	2.7
69.07093	0.3
69.18376	1.4
70.06582	1.2
71.01344	0.2
71.05009	0.3
71.07379	0.8
72.08154	1.0
73.02915	0.8
81.03426	0.9
81.07058	0.9
84.08144	5.0
85.02905	3.5
87.04469	0.6
88.07642	0.5
95.07311	0.2
95.08603	0.9
96.08135	1.6
97.02891	1.4
97.08916	0.9
98.09706	0.7
99.04462	0.4
107.04967	0.3
109.02879	0.6
110.09669	5.1
111.10453	2.8
112.11257	0.9
114.09170	0.5
123.04429	8.9
124.11238	1.9
125.12081	0.3
127.03933	0.8
128.10715	10.6
137.05992	0.3
138.12769	0.7
147.04443	0.4
152.14348	0.7
163.07614	0.4
166.15999	0.3
208.20612	0.5
222.22160	6.7
223.22496	0.2
224.19885	0.3
240.23132	1.3
345.26587	0.3
346.27393	15.1
347.27750	0.5
362.26868	0.3
364.28433	14.0
365.28699	0.4
367.71167	0.3
388.28571	0.4
396.59055	0.3
406.30188	0.5
508.32690	11.1
526.33722	100.0
527.34070	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01871	0.5
55.05517	2.5
56.05035	1.4
57.03442	4.3
57.07079	0.5
58.06601	3.1
59.04990	0.3
61.02926	1.9
65.03938	0.8
66.78468	0.2
67.05510	5.4
69.03428	8.2
69.07064	3.1
70.06586	2.0
70.07430	0.3
70.21040	0.2
71.05003	1.0
71.07372	0.5
72.08156	30.6
72.34808	0.3
73.02899	1.8
73.08481	0.3
79.05486	1.4
79.09447	0.3
81.03423	2.5
81.07060	9.2
81.07549	0.5
83.08624	2.4
84.08141	3.0
84.75759	0.2
85.02907	13.0
85.06539	1.2
85.08913	2.0
86.03277	0.4
86.09711	2.1
87.04472	1.6
91.03960	0.8
91.05481	25.3
92.05810	1.5
93.07076	0.9
95.05021	0.4
95.08606	6.9
96.08109	0.4
96.08955	0.6
97.02895	5.8
97.06529	0.9
97.10148	1.6
98.09692	9.4
98.10323	0.6
99.04465	1.5
99.08111	0.7
99.10039	1.2
101.02393	0.6
102.09181	2.2
105.07043	4.2
106.07365	0.4
107.08594	0.6
108.08940	0.4
109.02879	1.9
109.10162	3.6
110.09695	0.5
112.11260	0.9
113.09619	0.4
115.03919	0.3
115.05470	0.4
117.07014	6.6
118.07359	1.0
119.08579	0.8
123.04443	0.8
123.11737	1.0
124.11230	0.4
127.03921	2.6
129.06992	0.6
131.08571	8.2
132.08023	0.4
132.08914	1.8
133.09296	0.3
135.11723	0.4
142.12247	1.7
143.08568	1.0
143.12656	0.6
145.05003	0.6
145.10136	1.2
157.10136	0.6
171.11743	0.5
197.13359	0.3
321.16824	0.3
328.29974	17.3
329.30322	0.4
344.29535	0.6
345.29971	0.6
346.23959	1.7
346.31033	34.9
347.31577	0.9
352.96780	0.3
362.30530	2.9
363.30853	4.5
364.31992	36.7
365.32397	1.0
508.36362	10.0
509.37216	0.4
526.37329	100.0
527.37714	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	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
56.08985	1.7
57.03444	9.8
57.07066	3.5
59.04998	4.7
61.99224	1.9
63.39877	1.4
65.03918	2.8
67.05508	96.3
68.90060	1.6
69.07062	12.8
71.36327	1.9
74.61888	1.6
79.05486	7.7
81.07062	43.6
83.08630	11.2
85.06538	4.3
89.06047	6.7
91.05482	11.1
93.07046	12.6
95.08611	32.4
97.06531	2.3
97.10168	3.5
105.07049	4.7
107.08561	4.7
109.10163	70.9
111.08083	5.5
119.08569	7.6
121.10149	4.6
123.11688	3.5
127.73203	1.6
133.08664	3.5
133.10114	2.1
135.11671	3.7
137.09598	3.8
155.10699	3.8
161.13301	2.4
173.11737	21.6
177.11168	2.5
229.14352	73.5
247.80975	2.0
263.23758	4.7
327.20068	2.8
337.27362	62.4
369.82776	2.1
420.58740	2.1
491.37326	100.0
492.37570	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	526.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06815	4.5
57.07076	57.0
68.33448	3.0
69.07079	6.8
69.51332	4.7
69.51707	8.3
71.08636	48.7
83.08612	3.3
85.10187	34.7
87.04457	3.9
88.20763	2.5
89.06036	100.0
99.11710	6.3
111.11748	3.9
113.13281	3.3
117.09116	3.4
125.13305	2.8
127.14855	3.2
130.08624	3.3
131.07047	2.8
133.08604	63.0
154.06905	2.7
166.18878	3.1
177.11234	25.9
221.13893	5.5
239.15086	4.2
256.26358	3.6
271.26358	3.6
283.17517	4.9
315.29086	6.3
327.20197	21.5
465.37933	5.2
509.40463	31.7
526.41492	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36836	0.2
61.02922	0.4
67.38242	0.2
67.57402	0.2
69.03420	0.6
69.32557	0.8
70.06590	3.6
72.08157	0.5
74.06079	0.4
81.03423	0.3
84.04510	0.5
84.08134	1.1
85.02903	0.8
86.09720	0.6
87.61677	0.2
91.05444	0.2
96.78143	0.3
97.02898	0.5
110.07173	1.1
114.74271	0.3
115.08780	0.3
116.07110	0.3
120.08129	0.4
122.09776	0.3
123.04424	1.1
127.03907	0.5
127.09982	0.2
129.10237	0.7
136.07617	0.4
140.23306	0.3
163.03946	0.3
169.13344	0.3
185.04221	13.8
187.70956	0.3
203.03194	1.4
203.05305	3.4
222.18532	0.4
259.07800	1.3
328.22855	0.3
346.23685	2.8
347.09470	22.1
347.24136	1.0
348.09885	0.3
364.24814	0.9
365.08395	5.9
365.25037	0.3
365.31592	0.2
508.28995	0.4
509.29755	0.4
526.22522	0.5
526.30054	5.1
527.13702	100.0
528.14233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1739
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
67.05522	1.5
69.03442	2.0
70.29186	1.3
71.45171	1.5
74.75421	1.3
78.03185	1.4
85.02918	1.6
185.04175	1.9
203.05173	2.5
206.88741	1.5
263.50714	1.5
293.25867	1.5
298.56870	1.4
346.23761	1.9
347.09537	10.3
364.24823	4.8
365.25153	5.8
493.90903	1.7
526.29852	6.3
527.17236	100.0
527.30414	12.6
528.17346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1738
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
62.61094	0.9
64.73341	0.8
66.72781	0.9
71.00920	0.8
74.85375	0.8
95.72348	0.9
103.05462	10.6
131.04921	35.8
131.05899	1.9
153.81671	0.9
163.07553	5.7
178.65382	0.9
185.05730	9.9
203.05257	2.8
314.30042	0.9
349.12585	2.7
365.11887	1.2
527.17310	100.0
528.17462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.2
53.04133	0.3
55.01844	0.6
55.05482	0.6
56.04982	1.9
56.05260	0.6
57.03386	1.6
57.03640	0.5
58.02940	0.4
58.06573	0.3
60.04526	2.6
61.02875	2.3
67.05504	2.8
68.04971	1.3
69.03430	7.6
69.07032	0.4
69.18179	1.0
69.18580	0.7
70.06592	2.1
71.04949	1.3
73.02911	3.2
74.06037	0.3
79.05490	2.8
81.03408	2.5
81.07061	2.2
82.06583	1.6
83.01279	0.3
83.08573	0.4
84.08105	0.5
85.02901	10.5
86.06091	1.8
87.04465	2.3
91.03902	1.0
91.05430	0.7
93.07025	1.7
94.06494	1.1
95.04913	1.0
95.07276	1.2
95.08608	2.1
96.08131	2.4
97.02895	3.9
97.06460	0.6
99.04388	1.3
100.07533	0.6
103.03924	0.4
105.06973	0.6
107.04920	0.5
107.08549	0.9
108.08041	0.6
109.02844	1.6
109.08862	0.4
109.10106	0.5
110.09641	0.6
112.07603	4.7
113.08369	0.6
114.09068	1.0
121.06480	0.4
121.10078	0.8
122.09595	0.4
123.04425	24.6
126.09078	1.4
127.03908	2.2
130.08562	1.1
133.06422	0.4
137.05922	0.9
140.10672	0.5
145.04938	0.6
147.04372	0.5
147.07941	0.4
149.05907	1.0
154.12270	0.4
163.07480	1.1
207.06516	0.5
210.18471	0.4
224.20094	3.9
264.19513	1.0
278.21234	0.8
302.21030	0.5
304.22678	6.3
318.24246	0.8
328.22733	0.5
330.24234	9.2
334.23724	1.0
347.24722	0.5
348.25314	51.1
349.25574	1.3
366.26376	32.6
367.26758	0.9
368.50189	0.4
390.26456	0.8
492.29297	0.5
510.30695	3.6
528.31677	100.0
529.16864	0.9
529.31976	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01049	0.3
53.03941	1.1
54.44667	0.4
55.01865	1.1
55.05507	1.4
56.05032	0.8
57.03447	2.0
58.06585	0.4
61.02925	2.2
65.03923	0.4
67.05499	2.7
68.05023	1.4
69.03434	6.8
69.07072	2.1
69.17961	1.5
70.06596	7.0
71.01350	0.6
71.04997	1.1
72.08155	2.8
73.02917	1.5
79.05500	4.7
80.05016	0.5
81.03413	2.2
81.05821	1.7
81.07055	3.0
82.06580	1.2
83.04977	0.5
84.08155	0.8
85.02908	12.4
86.09715	2.3
87.04472	2.0
91.03914	0.5
91.05493	1.1
93.07041	1.6
94.06571	3.0
95.04992	1.1
95.07382	0.4
95.08620	1.4
96.08131	21.0
97.02892	4.3
97.06503	0.8
97.08926	0.6
98.09696	3.0
99.04450	2.2
101.02370	0.4
103.03944	1.9
105.07037	0.9
107.04922	0.7
107.08595	0.9
108.08119	0.8
109.02882	2.7
109.06523	0.6
109.10155	1.4
110.09694	2.8
110.14540	0.3
111.04446	0.4
112.07621	0.4
114.09171	28.3
117.07029	0.5
119.04985	1.1
121.02871	4.2
121.06484	0.5
121.10148	0.8
122.09645	0.5
123.04433	11.6
123.11701	0.5
124.11198	0.6
127.03918	4.8
127.09959	1.3
128.10722	8.7
131.04903	0.5
133.10156	0.7
135.04451	0.6
135.08038	0.6
135.11682	0.6
136.11252	0.6
137.05969	0.6
137.09615	1.1
138.12772	0.7
140.10730	1.6
141.10258	0.5
145.02910	0.6
145.04927	2.2
147.04407	0.6
149.05969	2.0
151.11177	1.0
153.12794	0.4
154.12274	1.2
159.08142	0.4
159.11769	0.6
163.06163	0.7
163.07561	1.5
169.09819	0.6
169.12259	1.5
175.03976	0.6
177.01828	0.7
187.11243	0.5
187.13264	0.4
189.01881	0.9
191.03326	0.5
195.02933	0.8
196.04594	0.3
197.12862	0.4
203.03465	1.9
205.12253	0.8
206.19057	1.4
207.02888	0.4
215.03419	0.9
217.05009	1.4
217.11893	0.7
221.04453	0.6
223.13322	2.9
224.20146	1.6
227.03369	0.5
229.04951	0.6
229.15439	0.4
238.25179	0.3
241.04811	0.6
243.02971	0.9
256.86603	0.4
267.06650	0.5
268.07288	0.4
273.04013	0.5
279.06586	0.5
283.06134	1.0
293.08029	0.6
294.05280	1.0
295.06024	11.6
297.04263	0.4
297.07629	0.7
302.21158	0.8
305.08127	0.5
307.06027	6.3
307.09598	0.7
308.06924	1.0
309.07501	1.9
317.08102	0.5
318.08850	0.4
320.06824	0.8
321.07578	5.8
322.08386	1.0
323.09155	0.7
325.07037	4.9
328.22690	0.7
330.24283	18.2
331.24634	0.8
333.07477	3.1
335.05609	0.6
335.09198	2.6
336.06442	0.6
337.07114	2.7
337.57870	0.4
345.07697	1.5
347.09042	2.3
348.25336	22.5
349.07062	6.3
349.25900	0.5
351.08667	1.2
359.09219	0.5
361.06970	4.2
361.10895	0.7
363.08640	1.4
365.10260	1.3
366.26401	19.5
367.08057	1.0
367.26657	0.6
372.25491	0.6
373.07108	1.4
375.08511	2.4
377.10428	0.7
379.08124	7.2
387.08670	0.9
389.10248	0.9
390.26559	0.6
391.08032	4.8
393.09622	0.9
397.09210	6.4
401.10458	1.0
403.08096	2.3
405.09872	0.7
409.09198	4.0
415.08777	1.4
417.09607	0.7
419.11282	1.2
421.09125	2.5
427.10437	3.2
429.09586	0.9
433.09167	2.2
439.10626	2.0
445.09250	3.0
451.10233	1.6
457.09290	1.5
463.10141	1.6
475.10309	3.1
481.11227	3.3
492.29944	0.5
493.11435	4.8
499.12079	0.8
510.30649	4.9
511.12323	11.2
528.31696	100.0
529.13458	8.1
529.31885	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	528.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01872	0.9
55.05511	2.2
56.05033	1.3
57.03439	5.9
58.06600	0.8
61.02923	1.0
65.03922	0.8
67.05508	5.4
69.03424	5.2
69.07072	3.2
70.06596	1.2
70.69234	0.6
71.04994	2.3
71.74129	0.3
72.04515	1.0
72.08151	7.1
73.02916	1.1
77.03942	0.4
79.05493	9.4
81.03433	1.8
81.07055	9.8
82.06479	0.3
83.04984	0.7
83.08611	0.3
84.08149	1.0
85.02898	6.4
85.06540	0.6
85.08949	0.4
86.09717	0.6
87.04474	1.1
91.03958	0.6
91.05479	8.7
93.07041	6.4
95.04962	2.0
95.08609	5.3
97.02900	3.3
97.06532	4.6
98.09693	20.9
99.04473	0.7
99.08092	2.7
99.17941	0.3
102.09163	0.6
105.04509	0.6
105.07028	7.0
107.08596	3.4
109.02877	1.1
109.06496	0.4
109.10165	0.8
110.09659	0.4
111.08084	0.5
112.11236	0.5
113.09650	1.5
115.05469	0.4
115.07576	0.4
117.07005	2.8
119.08571	3.9
121.10191	1.4
123.08085	0.4
124.11244	1.4
127.03929	1.1
128.10739	0.5
129.07039	1.6
130.07800	0.4
131.08571	5.1
131.09470	0.5
133.10129	1.6
135.08041	0.3
135.11713	0.6
141.06998	0.4
142.12270	8.7
143.08572	1.4
145.04915	0.6
145.10127	3.1
147.11708	2.0
151.11089	0.3
155.08594	0.4
156.13873	1.4
157.10155	1.1
159.11691	0.7
169.05309	0.3
171.11742	0.7
173.13307	1.3
180.23830	0.3
186.14925	0.6
199.14777	0.4
220.81659	0.3
330.27905	3.2
348.28958	22.8
349.29492	0.6
350.30823	0.7
366.30048	11.8
412.13132	0.4
510.34457	1.8
528.35297	100.0
529.22162	0.8
529.35699	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	529.1682
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
51.63232	1.4
70.06577	3.7
83.50841	1.3
84.08133	1.6
85.02898	2.1
86.09731	2.4
87.10022	1.4
108.74456	1.4
116.85490	1.5
123.04461	2.0
129.10219	1.5
133.71558	1.2
134.49501	1.3
203.03368	2.1
295.06119	6.7
307.06049	3.3
321.07712	4.0
325.07263	1.7
333.07556	1.8
349.07141	4.3
353.47638	1.5
361.07010	2.2
379.08353	1.6
391.08386	2.5
409.09293	2.5
433.09262	3.3
475.10211	1.7
493.11505	2.0
499.15460	6.8
511.16833	6.8
528.31274	4.5
529.16852	100.0
529.30859	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	529.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.01862	0.9
57.03435	4.7
58.06579	2.0
59.04987	0.9
61.02927	4.5
69.03426	18.0
69.35508	2.0
70.06238	0.7
70.06592	12.7
71.01337	1.4
71.05000	3.1
71.06915	1.3
72.08129	1.1
73.02921	3.9
79.05467	1.1
81.03415	5.7
81.06264	0.5
84.08139	0.8
85.02413	1.2
85.02903	20.2
86.03213	0.6
86.09705	3.0
87.04475	3.0
91.03922	1.2
91.05474	0.7
96.08130	0.8
97.02891	9.0
99.04448	4.8
100.07589	1.0
101.02341	1.1
103.03918	1.3
109.02836	4.0
117.05489	1.3
118.06512	0.9
120.08094	0.7
123.04438	4.3
124.04737	1.4
127.03891	4.5
128.10669	1.6
141.26857	0.6
145.04959	1.4
145.07582	5.6
147.09166	17.9
159.09187	7.6
160.09956	1.1
161.10706	0.6
163.07495	0.7
173.07011	1.6
173.10768	0.9
175.08716	1.3
185.10754	2.7
186.11484	0.8
187.12369	0.8
189.10231	0.8
191.08144	87.8
192.08482	1.0
197.10709	1.2
199.08611	1.1
199.12323	1.0
201.12442	0.7
205.12238	1.0
213.10243	1.4
215.08250	0.9
215.11877	1.7
216.05710	1.1
216.07672	13.1
219.11267	0.7
229.11775	0.8
231.11317	1.0
245.13002	0.8
263.13907	11.0
271.10669	1.0
275.04492	0.6
289.11752	6.6
290.12518	0.7
307.12863	79.1
308.13065	1.1
330.24246	2.1
331.24524	2.6
348.25281	7.1
349.25696	12.7
350.13449	88.4
351.13785	2.1
367.26636	1.1
469.18234	1.2
493.29926	0.8
504.07437	0.7
510.30594	1.7
511.12711	0.7
511.31024	10.1
512.18732	100.0
513.19183	3.6
528.31604	1.0
529.32568	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	529.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.0
57.03428	2.8
67.05504	13.4
69.07061	3.4
69.22656	4.2
71.19401	0.8
72.07787	1.0
72.08154	11.1
73.08490	1.6
79.05492	8.9
81.07054	11.0
83.08611	1.6
86.09806	0.9
91.05465	3.9
93.07049	9.4
95.04956	1.2
95.08611	9.3
97.10206	0.8
104.10725	1.8
105.07029	3.2
107.08589	4.2
109.10149	2.1
115.03683	1.7
117.07027	1.1
119.08562	2.6
121.10133	4.6
130.29468	0.9
131.08553	2.2
133.10109	2.0
135.11638	1.3
145.10086	0.8
147.11533	0.8
159.11760	1.0
176.99242	18.6
194.93416	1.5
195.00299	45.9
208.64560	0.8
213.00090	2.2
229.21385	0.7
261.27942	0.8
269.03943	3.7
270.76035	0.9
287.07254	0.9
335.25888	6.7
357.23828	0.9
375.25015	5.6
437.20541	8.0
440.22345	1.2
453.57382	0.8
455.21313	1.8
493.16406	1.5
511.24271	5.0
529.25336	100.0
530.25677	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	529.2647
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
51.58822	5.3
55.05502	7.4
63.48935	5.4
67.05473	7.6
69.25302	6.1
81.07033	5.7
83.08614	8.4
85.02924	9.8
85.06539	6.1
94.06594	5.3
97.89528	5.5
105.07048	15.5
105.07755	5.5
107.08628	12.4
111.08090	10.4
119.08572	11.3
125.64741	5.7
133.06477	10.6
133.10147	11.3
147.08043	29.9
161.09610	14.8
175.11195	19.3
175.14830	9.8
217.15868	40.8
235.16919	100.0
253.03769	6.3
283.20261	6.5
397.22159	94.7
466.04294	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	529.2775
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
56.96558	1.0
57.03432	1.2
57.07064	5.4
65.76657	1.1
67.05502	1.9
71.08626	4.5
73.06547	1.6
73.20599	1.1
78.18627	1.0
79.05460	1.8
81.07072	1.9
85.10184	5.3
89.06020	14.1
90.06357	1.4
91.05464	1.5
93.07036	1.9
95.08579	1.6
119.08572	1.3
133.08586	9.5
134.08946	1.9
142.80133	1.2
177.11278	2.6
178.11649	1.5
195.00276	5.7
198.97427	2.0
229.21584	1.6
312.26468	1.5
512.39020	1.9
529.27789	100.0
530.28149	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01876	8.3
55.05514	13.3
57.03429	7.1
61.02924	14.2
67.05506	25.1
69.03442	7.9
69.07082	14.7
69.73526	4.4
70.06571	1.8
71.04992	4.5
72.08144	1.7
73.02912	5.2
73.50063	1.5
73.64823	1.3
74.21367	1.3
75.81476	1.3
79.05493	29.6
81.03413	5.3
81.07058	51.0
83.04977	6.5
83.08602	4.2
85.02906	13.9
86.09712	1.6
91.03955	5.2
91.05477	23.0
93.07041	23.5
95.04948	8.5
95.08611	18.9
97.02904	9.2
97.06522	12.1
97.10189	3.3
99.04459	2.9
99.08102	1.9
101.02361	2.0
105.07038	26.8
107.04969	7.0
107.08595	22.1
109.02876	2.0
109.06522	19.6
109.10156	8.5
109.55145	1.4
111.08083	2.9
117.07033	10.3
119.08568	19.2
121.06487	7.8
121.10114	10.8
123.08049	3.9
123.11733	3.8
125.09628	5.4
125.29375	1.5
127.03897	3.6
129.06984	3.9
131.08569	11.1
133.06471	2.2
133.10124	18.7
135.08086	6.2
135.11656	5.1
137.09608	3.2
143.08557	2.3
145.06488	1.8
145.10143	13.3
147.08049	4.2
147.11694	16.0
149.09602	10.7
149.13275	3.7
151.11172	3.0
155.08598	1.8
157.10103	6.4
159.11714	8.3
161.09547	1.7
161.13242	2.3
163.11142	7.1
163.14716	1.8
165.09201	1.7
165.12852	2.2
169.10095	2.1
169.66426	1.5
171.11610	2.0
173.09650	2.1
173.13272	5.9
175.11143	3.8
177.12801	2.5
179.14268	1.7
183.11658	1.9
185.13229	2.1
189.11275	3.9
189.12801	1.8
191.14348	2.5
197.13304	2.8
199.14919	1.8
201.12823	2.1
219.13919	1.9
219.17465	1.9
221.98451	1.4
227.12711	4.4
229.14330	4.4
229.19582	2.1
239.17917	3.1
247.20641	3.1
257.18958	9.0
267.15863	2.3
269.17410	1.6
275.20071	57.7
276.20291	1.5
283.15384	2.0
285.79398	1.8
293.21222	6.9
301.16669	2.1
346.09531	1.7
349.23727	100.0
350.23895	1.7
367.24686	38.4
377.92325	1.5
391.24802	2.7
493.27618	1.9
501.57742	1.7
511.28635	2.8
529.29608	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54685	2.9
53.03943	5.4
55.01864	8.4
55.05511	21.3
57.03439	19.9
57.66283	3.2
61.02929	22.8
65.03942	3.6
66.57604	3.2
67.05504	37.4
69.03429	18.0
69.06758	3.1
69.07067	18.9
70.06592	6.6
71.04981	6.4
72.08157	3.9
73.02912	9.0
73.32983	2.8
79.05498	48.4
81.03406	9.9
81.07057	71.8
83.04995	6.6
83.08615	8.1
85.02907	23.7
85.06559	2.9
86.09698	3.1
91.03951	6.4
91.05484	35.0
92.82999	2.8
93.07054	40.4
95.04974	11.8
95.08620	22.5
97.02900	12.7
97.06504	15.9
97.10165	6.9
99.04446	3.0
103.36903	3.2
104.04250	2.7
105.07040	42.0
106.24919	3.3
107.04949	11.0
107.08588	29.2
109.06524	37.4
109.10160	12.9
111.08038	5.7
117.06296	3.2
117.07017	17.5
119.08601	36.0
121.10168	18.7
123.08054	6.1
123.11699	5.0
125.09654	5.9
127.03904	6.8
127.47005	3.4
129.07011	5.5
131.08562	25.1
133.10135	26.3
135.08051	3.0
135.11684	5.6
139.11224	3.3
141.07022	3.4
143.08557	10.4
145.05003	4.7
145.10112	20.3
147.11700	23.2
149.09630	16.3
151.11256	4.1
157.10144	9.7
159.11655	19.9
161.13237	8.2
163.11172	10.1
165.12733	5.0
169.10123	6.6
171.11691	6.5
173.13264	8.3
175.14827	3.8
177.12802	4.7
183.11691	5.6
185.13274	5.1
187.14827	3.3
189.11247	7.9
197.13239	4.9
203.14316	4.2
219.17578	4.4
227.12784	3.5
236.25957	2.9
237.22998	2.9
239.17909	6.9
257.19028	18.9
259.20572	3.0
275.17087	3.7
275.20062	59.6
293.21124	5.5
349.23740	100.0
367.24725	57.3
391.24823	4.3
435.69897	3.0
511.28833	6.2
529.34344	51.6
530.34674	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	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26788	0.4
53.03937	0.4
55.01876	2.2
55.05515	5.7
57.03445	3.8
57.07068	0.8
61.02913	1.5
65.03924	0.8
67.05508	9.6
67.29277	0.3
67.91520	0.4
69.03423	1.6
69.06712	0.5
69.07069	7.6
69.95800	0.4
69.96124	0.8
71.04986	1.1
71.08627	0.5
73.02892	1.0
79.05497	9.3
81.03426	0.8
81.07059	14.3
83.04979	3.6
83.08611	2.4
85.02930	1.2
85.06567	0.9
89.63829	0.4
91.03922	0.8
91.05481	10.2
93.07047	13.1
93.33901	0.5
95.04969	4.2
95.08608	9.1
97.02912	0.9
97.06541	2.0
97.10187	1.2
98.23357	0.5
105.06342	0.9
105.07027	14.2
107.04953	4.3
107.07924	0.7
107.08599	8.5
109.06516	5.9
109.10158	4.2
111.08092	0.8
117.07020	3.9
119.08591	6.2
121.06503	6.1
121.10143	5.0
123.08077	3.0
123.11703	1.8
125.09626	0.7
127.03925	0.5
129.07030	1.6
131.08575	7.6
133.06500	1.9
133.10135	9.1
135.08047	3.3
135.11682	2.6
137.09628	1.9
141.06995	0.6
143.08565	1.2
145.04947	0.4
145.06500	1.3
145.10132	8.2
147.08058	2.0
147.11690	7.0
149.09628	3.8
149.13248	1.9
151.11206	2.6
155.08586	1.3
157.10110	2.0
159.08011	0.8
159.11685	4.6
161.09633	1.9
161.13268	1.6
163.11177	3.3
163.14822	0.8
165.12778	0.5
169.10136	0.8
173.09618	1.8
173.13220	2.6
175.11212	1.9
175.14828	0.6
177.12758	1.2
179.14290	0.5
180.74811	0.4
183.11679	1.4
185.13214	0.6
187.11198	0.9
187.14934	0.7
191.14342	1.3
196.37981	0.4
197.13264	1.2
201.12747	1.3
205.19377	0.4
207.13809	1.5
213.16203	0.6
215.14351	0.7
215.17915	0.9
219.13846	1.8
221.15503	0.5
229.19591	1.7
231.17529	0.8
239.17947	1.6
247.20575	1.6
257.19009	5.8
260.20547	0.4
275.20068	42.5
276.20490	1.0
293.21082	6.8
349.23737	100.0
350.24054	3.1
367.20416	0.6
367.24805	4.1
367.51071	0.4
439.91870	0.5
511.28412	0.8
529.35718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01612	0.4
55.01862	2.2
55.05511	6.5
57.03445	3.5
57.07074	0.7
57.51511	0.4
61.02918	0.7
61.72017	0.4
64.69662	0.4
65.03941	0.7
67.05502	13.5
69.03412	1.6
69.07066	10.1
69.56399	1.3
71.04980	0.7
77.93315	0.4
79.05046	0.7
79.05489	10.8
81.03382	0.8
81.07056	17.4
83.04980	4.2
83.08617	3.2
84.95176	0.4
85.02894	1.0
85.06531	0.5
91.05479	12.0
93.07042	16.0
95.04951	4.2
95.08607	10.7
97.06528	2.7
97.10144	1.5
98.23471	0.8
99.08086	0.5
105.04483	0.7
105.07025	16.8
107.04951	5.5
107.08585	10.2
109.06507	6.2
109.10165	3.4
111.08105	1.0
117.07025	5.4
119.08578	10.5
121.06504	8.3
121.10137	5.6
123.08057	3.9
123.11678	1.8
125.09631	0.8
127.03865	0.5
129.06973	1.5
131.08565	12.2
133.06487	2.1
133.09174	0.8
133.10132	12.8
135.08055	4.0
135.11693	3.3
137.09637	1.2
141.06989	1.3
142.07768	0.5
143.08554	2.2
145.06459	1.8
145.10127	8.5
147.08066	3.4
147.11690	8.5
149.09607	4.0
149.13266	2.7
151.11179	3.4
155.08510	1.4
157.10120	2.3
159.08034	1.7
159.11691	5.9
161.09648	2.7
161.13211	3.0
163.11169	4.2
168.49147	0.4
169.10106	1.4
171.11691	1.7
173.09566	2.2
173.13263	5.0
175.11185	2.5
175.14778	0.6
177.12730	1.3
183.11685	1.9
185.13196	1.4
187.11139	1.3
187.14799	1.3
189.12772	1.0
191.14293	1.9
197.13193	1.3
199.14809	0.8
201.12758	2.3
205.19467	0.6
207.13780	2.7
213.16377	0.7
215.14253	1.2
215.17979	0.7
219.13776	2.1
229.19466	1.8
231.17502	0.8
233.15321	0.7
233.19083	0.7
239.17970	2.1
247.20607	2.7
257.19012	9.7
275.20059	61.4
276.20435	1.1
293.21082	8.3
349.23721	100.0
350.23923	2.6
367.24799	22.6
516.22412	0.5
541.23505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.01867	5.7
55.05521	9.3
56.86751	1.6
67.05510	14.4
69.07072	16.7
79.05509	17.5
81.03413	6.3
81.07065	28.0
83.04980	3.6
83.08613	4.9
88.47205	2.0
91.05480	23.4
93.07054	16.3
95.01324	4.4
95.04958	6.3
95.08609	15.0
97.06522	12.8
105.07034	37.1
107.04948	6.6
107.08583	6.8
109.06528	3.4
109.10132	4.2
111.08035	3.2
117.07012	9.4
119.08581	15.4
121.06548	2.6
121.10159	5.3
123.08035	2.6
131.08603	9.9
131.35815	1.9
133.10117	17.3
135.08104	2.4
135.11664	5.4
137.09613	2.6
145.10130	8.8
147.11665	6.8
149.09604	6.7
149.13280	1.8
159.08119	2.5
159.11685	7.6
161.13268	2.9
163.11150	2.7
171.11555	2.4
174.91217	1.8
177.12686	2.1
179.14326	7.4
187.11230	2.6
205.53606	1.9
215.17938	1.9
234.91260	1.7
247.20558	2.4
257.19064	4.8
275.20114	48.9
279.15930	1.9
349.16803	4.5
349.23737	100.0
350.23889	2.7
367.17993	2.7
368.06705	1.8
469.12546	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
67.05493	0.5
69.03448	0.2
69.07065	0.2
70.06586	0.3
72.08150	0.5
79.05469	0.3
81.07050	0.9
85.02914	0.3
91.05475	0.3
93.07042	0.5
95.04999	0.3
95.08613	0.7
97.06615	0.3
97.10133	0.2
105.07061	0.5
107.08595	0.5
109.10164	0.4
119.08582	0.5
145.10118	0.3
153.06984	0.2
203.05276	0.6
275.20105	0.3
327.23657	0.2
349.23511	0.3
349.27298	0.6
367.28384	0.4
465.99973	0.2
485.28754	0.6
499.32419	0.3
511.33966	0.5
526.66150	0.3
529.33447	100.0
530.33728	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	529.3502
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
55.05500	0.5
67.05502	2.1
69.07090	0.5
72.67104	0.3
76.31488	0.3
79.05482	0.8
81.07054	1.9
83.08620	0.4
91.05490	0.6
93.07056	1.4
95.08597	1.7
98.14210	0.3
98.23492	0.8
107.08595	0.6
109.10169	0.8
121.10117	0.6
135.11656	0.5
152.81062	0.3
168.78258	0.3
191.10538	1.0
195.09940	7.0
229.27235	0.3
251.12578	1.0
335.25763	1.1
357.24167	0.7
529.34991	100.0
530.35559	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	530.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50727	0.8
55.05493	1.3
56.05026	1.3
57.03431	1.3
58.06597	1.9
60.08163	15.7
67.05510	4.9
69.07070	1.1
71.07364	6.1
79.05487	2.0
81.07061	4.1
83.08640	1.1
84.54795	0.8
86.09706	47.6
91.05487	10.6
93.07002	2.0
95.08591	3.8
98.98470	3.8
104.10741	100.0
105.07030	2.6
107.08580	1.7
109.06570	1.0
109.10153	1.3
117.07009	1.4
119.08571	1.9
121.10157	1.5
124.99999	28.5
126.13050	0.9
131.08582	3.2
133.10124	2.5
139.47127	0.9
159.11662	1.2
161.13214	1.0
184.07339	97.2
192.56558	0.9
195.00322	6.8
196.00681	0.9
258.11182	1.2
259.20410	1.4
336.26263	1.1
347.25882	1.3
380.25912	1.1
458.35291	1.0
512.31421	9.1
530.25793	1.4
530.32349	40.0
531.32727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01868	9.2
55.05514	33.0
57.03437	16.7
57.07066	5.4
59.05005	3.2
65.03939	5.0
65.23119	1.8
67.05502	100.0
69.03415	2.4
69.07071	20.5
71.04984	7.4
73.02920	4.5
79.05489	48.3
81.03416	18.4
81.07056	73.5
83.04961	10.1
83.08612	24.7
85.02907	8.8
85.06545	5.7
87.04460	8.2
91.05488	36.6
93.07040	51.7
93.07604	3.5
95.04948	8.9
95.08607	24.6
97.02889	4.2
97.06547	8.3
97.10156	18.2
98.23463	8.7
103.03960	3.4
104.10760	2.4
105.04465	2.7
105.07063	13.3
107.04953	3.9
107.08599	34.5
109.06494	4.5
109.10154	41.6
111.04454	2.6
111.08085	4.4
117.07050	10.5
119.08592	7.9
120.08060	2.1
121.06541	2.8
121.10154	14.5
123.08042	4.6
123.11701	5.8
125.09630	17.0
129.05490	7.7
131.08531	11.7
133.10156	15.4
135.08078	3.0
135.11659	12.2
136.06128	2.4
137.09573	2.7
142.63553	2.1
143.10704	3.2
145.10092	4.2
147.11710	3.9
149.09674	2.9
149.13248	15.3
153.12737	3.0
155.10638	3.3
159.11713	9.2
163.11205	5.6
173.11743	14.3
177.12733	5.1
195.00270	3.3
195.13759	20.7
199.13298	9.2
203.14328	2.2
209.11758	7.7
213.14897	2.8
227.12737	6.1
229.14331	41.3
229.20367	2.5
267.15991	3.6
269.17468	64.5
283.15524	2.4
301.16428	12.5
411.27710	3.1
423.27399	15.2
452.24725	2.6
495.29703	19.0
513.30573	12.5
530.39233	7.4
531.26764	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	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
53.37402	3.7
55.01874	12.1
55.05502	19.8
57.03435	11.1
57.07087	6.2
58.76810	3.8
61.02923	9.1
65.03954	5.7
65.45461	3.3
67.05503	82.8
69.03444	4.8
69.07069	26.5
69.20310	7.9
69.20715	15.9
71.04982	7.4
73.02876	3.5
79.05495	69.4
81.07056	78.3
81.63869	3.8
83.04990	8.5
83.08620	13.7
85.02906	10.5
85.06542	8.9
85.10190	4.1
91.05476	100.0
93.07044	95.3
95.04968	16.6
95.08010	6.5
95.08598	64.0
96.66890	3.6
97.02896	8.0
97.06537	16.0
97.10165	6.9
99.08096	9.4
104.10780	9.2
105.07031	88.4
107.04927	5.1
107.08600	41.8
109.06508	4.7
109.10163	28.7
117.07018	32.4
119.08573	67.6
121.10149	50.8
123.11683	6.5
125.09608	3.9
128.06255	3.4
129.07019	17.6
131.08571	39.2
133.10133	55.6
135.08070	6.6
135.11682	36.3
137.09616	4.8
143.08565	13.7
145.10133	20.4
147.11703	41.0
148.66750	3.7
149.09647	15.0
149.13289	26.5
151.11206	5.9
157.10147	16.5
159.11694	37.0
161.13251	71.6
163.11185	9.8
163.14807	20.9
171.11702	36.5
173.13274	29.0
175.11192	8.3
175.14822	44.6
177.12752	7.5
179.14378	4.1
185.13223	26.6
185.53830	4.2
188.92464	5.1
189.12785	9.2
199.14830	15.3
213.16367	8.8
214.86258	3.8
217.19505	9.7
222.14951	5.3
231.17412	6.2
231.21117	13.3
241.19502	71.3
259.20560	81.2
277.21606	14.7
305.43613	3.9
333.24219	16.2
351.25336	34.2
530.33417	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	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	10.7
55.05508	16.0
55.10410	6.7
55.20504	6.4
55.41939	7.2
56.15849	6.8
57.03431	8.4
61.02922	11.5
65.19583	9.3
67.05504	94.7
69.07071	24.1
79.05499	67.5
81.07059	100.0
83.08628	11.5
85.02921	14.0
91.05480	93.6
93.07038	73.5
95.04985	12.5
95.08614	70.1
97.06528	16.6
98.37953	7.1
99.08070	8.1
105.07031	70.0
107.08585	45.7
109.10162	38.0
111.61525	7.4
117.07032	23.3
119.08583	55.9
121.10133	40.7
123.11732	16.3
129.07005	16.3
131.08572	29.4
133.10141	51.0
135.08099	7.9
135.11684	35.9
137.09668	8.4
137.13298	9.9
143.08548	20.7
145.10149	31.8
147.11697	46.4
149.09683	9.5
149.13251	15.5
157.10095	13.9
159.11708	41.0
161.13258	62.3
163.11137	10.8
163.14796	7.7
171.11688	34.8
173.13264	18.3
175.14810	33.7
185.13257	16.6
189.12793	8.8
199.14827	19.2
206.04875	7.3
213.16373	8.9
217.19487	15.7
231.21019	17.3
241.19514	62.3
259.20566	75.5
277.21564	16.5
333.24417	16.2
351.25412	40.0
483.66360	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	530.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01861	1.2
55.05508	3.0
56.05030	1.5
57.03437	5.6
57.07072	0.6
58.06614	0.4
61.02927	1.9
65.03940	0.7
67.05508	7.7
69.03429	5.8
69.07068	4.1
69.70429	0.7
69.70829	0.7
70.06606	1.2
71.04994	1.4
72.04506	0.8
72.08154	5.7
73.02914	1.8
77.03938	0.5
79.05496	7.6
80.77823	0.3
81.03423	2.7
81.07056	8.9
83.04990	0.6
83.08614	0.8
84.08163	0.9
85.02904	12.5
85.06541	1.3
85.08897	0.5
86.09705	1.1
87.04478	1.5
91.03974	0.9
91.05482	7.7
93.07048	7.1
95.04961	2.0
95.08608	8.7
97.02885	5.2
97.06536	4.4
97.10142	0.4
98.09058	0.8
98.09696	17.0
99.04468	1.5
99.08091	3.9
99.10035	0.5
102.09187	0.8
103.03962	0.6
105.04581	0.4
105.07037	4.6
107.08603	3.6
109.02866	1.7
109.06554	0.6
109.10161	1.8
110.09695	0.6
111.08099	1.0
113.09657	1.3
115.07589	0.8
117.07027	2.0
119.08567	3.5
120.86623	0.4
121.10146	1.9
124.11253	0.8
125.09650	0.4
127.03938	2.6
128.10715	1.3
129.07024	0.9
131.08582	1.8
133.10121	2.7
135.11690	1.0
142.12271	9.4
143.08565	0.4
145.04993	1.2
145.10147	1.8
147.11705	1.3
149.13297	1.3
157.10179	0.6
159.11728	1.0
161.13275	0.8
171.11729	1.0
173.13255	0.5
175.14835	0.9
187.14886	0.3
199.14838	0.4
234.11101	0.4
236.10774	0.3
332.29602	1.4
349.29709	0.4
350.30524	6.9
368.31601	22.0
369.31998	0.5
410.32559	0.4
512.35516	1.3
530.36865	100.0
531.24786	0.6
531.37262	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	530.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
52.13223	0.3
53.03947	0.9
55.01883	0.8
55.05515	2.7
56.05033	1.0
56.51297	0.3
57.02563	0.4
57.03435	5.4
57.07078	0.6
58.06596	0.9
61.02919	2.0
65.03918	0.6
67.05506	8.1
69.03426	6.1
69.07075	3.6
69.28919	2.0
70.06588	1.0
71.04996	1.8
71.08575	0.4
72.04509	0.9
72.08157	6.9
73.02921	1.3
79.05495	6.8
81.03413	2.0
81.07056	9.7
83.01336	0.4
83.04966	0.6
83.08619	0.8
84.08128	0.7
85.02902	10.2
85.06535	0.7
85.08929	0.4
86.09709	1.2
87.04465	1.6
91.03980	1.1
91.05480	7.3
93.07042	7.2
95.05003	0.9
95.08601	5.8
97.02888	4.2
97.06534	3.3
98.09692	17.2
99.04471	1.2
99.08086	2.4
102.09209	1.0
103.03937	0.6
105.07025	4.5
107.08581	3.1
109.02888	1.2
109.06519	0.4
109.10158	1.9
110.09666	0.5
111.08085	0.6
113.09646	1.3
115.07574	0.5
117.07036	1.7
119.08578	3.8
120.08156	0.4
121.10161	2.2
123.08063	0.4
123.11727	0.5
124.11229	0.8
127.03914	2.4
128.10719	0.5
129.07042	0.9
131.08553	2.0
133.10115	2.2
135.11740	0.8
142.12268	8.2
144.31741	0.4
145.04991	1.1
145.10123	1.4
146.56384	0.4
147.11690	1.3
149.13235	1.1
156.13890	0.7
157.10063	0.6
159.11732	0.9
171.11542	0.5
175.14845	0.7
189.12653	0.4
276.20377	0.7
302.06378	0.4
327.44946	0.4
332.29617	1.4
334.07532	0.4
348.29288	0.5
350.30515	17.3
360.83398	0.4
365.29272	0.4
368.31580	17.7
369.31732	0.7
512.36133	2.1
530.36890	100.0
531.37170	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	531.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76730	1.0
53.03954	2.1
55.01868	1.3
55.05510	2.7
59.05001	1.8
61.02924	1.6
67.05503	8.1
68.64159	1.1
69.03426	9.0
69.07082	2.1
69.49522	5.5
70.06590	5.2
71.04988	3.7
72.08163	3.4
73.02930	1.4
79.05517	2.0
81.03419	7.5
81.07047	2.8
83.05000	1.7
84.04496	1.7
84.08141	1.9
85.02909	34.1
85.03413	1.9
85.06573	2.4
86.09716	4.8
91.05490	3.9
93.07050	5.1
95.08605	20.3
97.02895	14.5
97.06538	1.9
99.04459	21.9
99.05078	1.7
101.06023	1.5
103.03944	44.6
105.07046	8.8
107.08597	8.4
109.02866	8.9
109.06539	4.6
109.10215	1.3
110.09720	4.4
110.28925	1.1
111.09972	1.1
113.06042	2.4
115.08737	1.1
119.08582	7.3
120.08150	1.4
121.06519	2.4
121.10185	5.4
123.04415	1.2
123.08072	14.2
123.11716	2.2
127.03917	47.8
128.10718	26.9
129.10219	2.0
129.11101	5.0
131.08597	2.7
133.10146	3.7
135.08038	1.2
135.11697	4.4
137.09627	9.2
145.04970	29.6
145.10135	1.9
147.08020	2.8
147.11708	5.0
149.09619	69.1
151.07535	2.2
156.09428	1.6
159.09218	1.7
161.13278	7.6
163.06023	23.0
163.11148	1.6
165.12790	3.5
171.11728	4.1
174.10428	3.2
181.12268	1.7
187.06042	2.4
189.12729	21.5
205.07056	2.3
207.13806	100.0
208.14233	1.8
225.14909	2.5
271.08160	2.9
289.09311	2.8
307.10303	6.3
337.03659	1.7
343.05023	2.1
345.02823	3.3
351.01563	2.1
353.03351	2.3
355.04971	8.6
357.02893	6.6
359.04327	4.8
363.02188	1.3
369.02960	4.4
373.06015	4.7
375.03946	1.8
377.05551	1.4
381.02902	9.5
387.03662	5.6
387.31757	1.2
389.05832	1.8
399.03830	25.8
399.08624	2.1
400.04221	1.4
417.04877	12.3
471.06024	11.5
489.07010	7.1
530.33081	1.7
530.77460	1.5
531.33612	7.7
548.99908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01874	1.8
55.05510	7.5
56.05029	2.0
57.03444	2.7
59.16838	1.0
61.02934	2.4
65.03944	1.1
67.05507	7.9
69.03429	17.3
69.07079	5.5
70.06589	9.7
71.04984	6.8
71.45575	1.5
72.08148	4.7
73.02901	3.5
74.06075	2.5
77.55286	1.1
77.93724	1.1
79.05494	5.8
81.03417	17.8
81.07055	9.0
82.06558	1.2
83.04971	3.0
84.04513	2.1
84.08141	6.8
85.02903	62.3
85.06546	1.6
86.09700	15.2
87.04481	1.2
87.10037	1.9
91.05476	11.2
93.07041	12.0
95.04971	5.9
95.08608	10.2
96.08146	1.3
97.02899	24.3
97.06529	7.0
99.04454	42.2
99.05074	2.5
99.08073	2.9
101.06010	4.4
101.07114	1.8
102.05540	1.4
103.03944	75.0
105.07026	23.2
107.04969	2.3
107.08591	24.1
109.02874	20.0
109.06519	5.7
109.10160	12.0
110.07172	5.5
110.09691	7.7
111.04419	1.3
111.08050	1.9
111.10036	1.3
114.09178	2.6
115.03914	1.1
117.07021	2.7
119.08578	34.8
120.08160	1.4
121.06509	14.2
121.10140	8.3
123.08070	32.3
123.11677	1.9
127.03914	100.0
128.04185	1.0
128.10710	38.8
129.10229	3.0
129.11066	7.8
131.08537	5.5
132.08084	1.1
133.06474	2.9
133.10115	9.8
135.08070	10.7
135.11693	3.0
137.09621	25.6
140.64023	1.0
143.08549	1.9
143.11803	4.5
144.09314	2.6
145.04961	57.1
145.07474	2.1
145.10101	4.3
147.08076	10.2
147.11678	25.2
149.09625	11.4
151.07605	1.4
151.11188	1.2
153.09091	1.7
156.09364	4.4
159.09215	1.4
159.11682	11.3
161.09625	4.8
161.13268	18.4
163.06020	43.7
163.11218	6.0
165.09109	7.0
165.12785	4.4
171.11612	4.9
177.12746	6.7
179.14304	2.4
181.12206	7.2
183.54060	1.0
187.06010	7.2
187.14429	1.1
189.12747	19.6
205.07132	5.9
207.13797	73.9
225.14851	38.3
253.07109	1.5
254.15080	2.0
271.08121	6.9
272.16129	2.0
289.09247	5.1
307.10226	10.8
367.23322	1.8
428.26743	1.3
513.12604	1.1
530.33069	4.4
531.19067	5.6
531.27771	1.8
531.33801	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	531.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05509	2.1
56.51367	0.7
57.03433	1.2
57.07074	1.2
59.04996	0.7
61.02930	1.3
61.44945	0.9
67.05499	8.3
69.03065	1.8
69.03434	34.4
69.07073	6.1
69.48989	2.1
69.49398	2.2
70.06594	2.6
71.04984	3.0
72.08143	2.1
73.02929	1.4
77.24357	0.8
79.05511	7.1
81.03417	8.4
81.07054	8.5
83.04987	4.4
83.08604	1.4
84.08147	1.9
85.02902	18.7
86.09700	3.6
91.05487	2.9
93.07037	5.7
95.04971	8.5
95.08618	6.7
97.02904	12.0
97.06545	3.8
98.22753	1.7
99.04454	15.8
101.84612	0.8
103.03945	23.6
105.07038	13.0
107.04964	2.0
107.08595	5.7
109.02871	7.5
109.06512	5.6
109.10151	3.6
110.07288	1.6
110.09622	0.9
110.96334	0.7
111.08087	3.4
117.07053	1.2
119.08601	9.8
121.06544	2.3
121.10149	9.2
122.07257	1.0
123.04436	13.3
123.08017	4.8
125.09589	0.8
127.03912	25.9
127.54304	0.8
128.09831	0.7
128.10715	3.3
131.08571	1.2
133.06503	5.3
133.10135	17.2
135.08031	2.1
135.11682	1.6
137.05965	4.1
137.09622	13.1
139.11169	16.8
144.10190	1.1
145.04967	15.5
145.10147	2.2
147.08072	2.3
147.11673	10.7
149.09595	1.8
151.07553	3.3
156.09303	2.9
159.07996	1.2
159.11725	2.1
161.13271	7.4
163.05994	8.6
163.11217	6.0
165.12726	1.0
171.11684	5.5
174.10414	3.0
177.12737	1.1
179.14302	1.2
187.06013	1.7
189.12758	18.7
207.13805	100.0
208.14211	2.0
214.29745	0.9
225.14862	29.4
226.15196	1.0
249.14810	0.8
271.07895	1.0
307.10278	1.3
309.00714	0.9
327.01654	2.6
333.17010	0.7
345.02829	16.4
346.02930	0.9
363.03915	3.8
368.27948	1.4
369.28445	1.0
387.04126	1.0
417.05804	0.9
454.73889	0.8
471.05914	1.5
530.33185	1.4
531.24292	2.6
531.33258	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	531.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93746	0.4
52.59935	0.4
53.03944	5.4
55.01879	2.6
55.05512	1.6
56.05044	0.7
57.03445	2.6
59.05003	1.0
61.02925	3.2
65.03947	0.9
67.05495	2.1
69.03061	1.0
69.03429	18.9
69.07062	1.3
69.77045	1.0
69.77374	0.8
70.06589	4.9
71.01334	0.6
71.04994	5.4
72.08147	2.0
73.02924	4.5
79.05490	2.1
81.03420	21.2
81.03901	1.0
81.07065	2.4
83.01346	0.6
83.04984	2.8
84.08139	2.1
85.02905	60.5
86.09708	5.8
87.04491	2.4
91.04005	0.5
91.05474	1.9
93.07051	2.5
95.04969	96.8
95.08603	2.4
97.02893	38.4
97.06533	0.9
98.23393	0.8
99.04458	40.8
103.03945	50.7
105.07038	3.0
107.04958	0.9
107.08582	2.1
109.02881	24.1
109.06527	7.0
109.10152	4.2
110.07194	0.8
111.04484	1.2
112.08759	0.5
113.05986	0.9
113.60535	0.4
114.09167	0.9
115.03117	0.9
115.03931	18.2
116.07044	0.5
117.05441	0.5
117.06996	1.6
119.08604	2.5
120.08106	1.4
121.06499	1.7
121.10150	2.1
123.08080	2.1
123.43536	0.5
127.03914	92.7
129.10242	1.1
131.08554	1.2
133.10138	3.5
135.08025	2.8
135.11717	0.7
137.05992	1.6
137.09575	0.6
139.43010	0.5
143.11748	1.1
145.04959	47.3
145.10132	0.8
147.07948	0.6
147.11674	1.9
149.09616	1.4
151.07558	6.8
151.11180	0.9
153.09128	2.5
156.09392	0.6
159.11806	1.1
161.13277	2.0
163.06023	14.8
163.11168	0.7
165.09113	0.6
165.12758	2.4
169.04915	1.6
169.08603	26.0
170.08937	0.5
171.11647	2.5
173.13251	0.8
187.06000	7.8
189.11169	0.9
189.12723	4.9
190.11490	0.5
191.14235	0.7
199.06017	1.2
205.07086	2.8
207.13795	14.7
209.13377	0.6
209.15373	10.3
225.14851	100.0
226.15195	1.1
247.07901	0.5
253.07076	1.1
271.08167	8.3
289.09180	4.0
307.10315	2.4
495.22403	0.8
513.23322	1.6
531.20117	1.5
531.32953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.0
57.03437	5.3
57.07049	1.3
65.03900	0.5
67.05502	16.6
69.07066	9.4
70.05392	0.7
70.05726	0.8
71.08620	0.5
79.05120	0.4
79.05492	5.5
80.44987	0.5
81.07055	15.6
83.04956	0.8
83.08630	3.9
84.81028	0.5
91.05486	3.5
93.07037	4.4
95.04960	0.8
95.08032	0.7
95.08604	11.9
97.06522	1.2
97.10167	2.6
105.07022	2.6
107.08616	2.5
109.10160	4.8
115.03656	1.6
119.08565	1.6
120.96597	0.4
121.10127	1.7
123.11681	1.3
133.10081	1.4
135.11644	0.6
137.73526	0.5
147.11646	1.3
149.13261	0.6
156.97472	1.4
161.13251	0.5
174.98502	1.0
176.99236	3.5
195.00296	100.0
213.00075	1.9
216.55376	0.4
218.05431	0.5
239.54034	0.4
266.14252	0.5
269.03964	0.7
274.78696	0.5
284.00641	0.5
320.82123	0.5
321.22751	0.5
337.27344	16.3
338.27863	0.6
359.25516	1.1
439.22296	0.8
531.26874	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24193	1.9
57.07067	4.3
60.45116	2.0
67.05478	2.8
69.27242	12.7
70.06567	3.2
71.08662	3.3
88.07626	3.6
102.09126	2.5
103.44905	2.3
184.73907	2.5
198.97467	13.5
199.97789	3.3
200.97916	4.3
217.54512	2.0
238.52414	2.1
256.26328	19.0
257.26584	14.0
314.27402	2.6
495.17880	3.9
513.14240	4.0
531.16382	4.6
531.29529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	7.2
75.38040	3.8
75.45672	3.7
78.45144	4.0
78.83078	3.2
86.09682	4.9
95.08603	5.0
104.10765	12.4
105.00174	6.0
176.92386	17.4
194.93474	20.6
195.00296	6.0
232.94965	8.8
244.85220	4.1
250.96072	6.7
309.36804	4.5
364.49548	4.2
421.14355	5.2
439.15234	11.1
473.26398	6.1
495.17886	29.2
513.14606	35.0
531.15369	17.7
531.29370	100.0
542.89728	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	532.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.8
56.05038	2.6
60.04545	0.6
67.05520	0.6
69.07068	7.2
70.06594	9.2
71.06937	0.9
72.08155	100.0
73.08488	1.1
74.06086	2.0
83.06129	0.8
84.04502	31.2
84.08150	8.0
85.02909	1.8
85.08483	0.7
86.09706	73.7
87.10072	1.2
88.03980	1.3
91.05489	0.8
95.04907	0.7
96.04547	0.7
96.08131	1.3
97.02891	0.7
98.22681	1.1
101.07127	1.0
102.05544	16.5
110.07169	1.7
110.09732	0.7
112.07565	1.5
113.07169	0.7
114.09174	2.3
115.84938	0.6
118.08616	0.7
127.03925	0.9
128.10716	0.8
129.06602	20.5
129.10239	79.7
130.05028	1.3
130.10634	1.3
134.04475	4.0
140.07025	0.7
141.06604	1.3
143.11781	1.0
144.06593	2.0
145.00452	0.7
145.04985	0.8
152.10753	2.7
153.10292	0.8
157.09721	31.7
161.09251	1.2
162.07607	1.2
167.08138	0.7
169.13374	1.8
170.11765	7.7
171.11269	1.0
175.10818	2.6
178.61739	0.6
181.09760	1.4
197.12857	38.3
198.13065	0.7
199.10735	0.9
211.57141	0.7
215.13910	42.4
225.12332	21.2
233.11333	4.1
243.13383	12.6
247.68675	0.8
254.14980	3.6
268.13092	0.6
272.12436	1.7
274.47882	0.7
282.14478	6.7
286.14117	1.5
290.13458	11.6
300.15491	16.7
335.20660	1.1
353.21841	32.0
354.22186	0.9
370.11633	0.7
371.22824	10.7
381.21341	11.9
399.22308	9.9
403.21899	1.2
413.20230	0.9
472.12173	1.0
496.23633	1.7
514.24481	1.4
531.79028	0.8
532.25568	3.6
533.21631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.1
55.01848	1.0
55.05476	2.6
56.35857	0.7
57.03407	3.0
57.07040	1.4
57.12031	0.7
58.06569	1.2
61.02903	1.0
65.03926	0.6
67.05511	5.9
69.03437	6.6
69.06699	0.9
69.07046	4.3
70.06542	2.1
71.04987	4.1
72.08157	3.5
73.02876	1.1
73.36746	0.7
79.05489	5.6
81.03377	3.2
81.07059	8.3
84.08127	1.7
85.02422	1.4
85.02898	19.1
85.06509	2.5
86.09679	1.6
87.04448	1.0
89.92770	0.7
91.05471	6.2
93.07034	5.9
95.04938	3.1
95.08598	6.9
97.02885	7.2
97.06524	4.4
98.09172	0.7
98.09689	8.1
99.04455	8.4
99.08057	1.6
103.03945	17.3
105.07033	11.2
107.08605	6.2
109.02908	3.6
109.06517	30.5
109.10155	10.8
111.08050	1.3
117.06976	2.0
119.08571	3.8
121.06413	0.9
121.10139	4.7
123.08052	5.6
127.03030	1.2
127.03907	19.7
128.10695	2.8
129.07045	1.1
131.08572	15.4
133.10124	66.0
134.10471	0.7
135.07072	0.8
135.08052	15.5
135.11678	1.5
142.12274	4.7
143.08524	1.9
145.04964	9.6
145.10101	5.5
147.11642	3.6
149.09619	1.8
149.13242	1.8
153.09116	1.3
158.10852	3.7
159.09206	0.9
163.05986	6.3
163.11169	1.0
173.13254	37.6
191.14302	100.0
192.14709	1.1
209.15359	30.0
271.07956	1.0
307.10318	1.5
323.59283	1.0
329.68472	0.7
334.30869	0.9
350.30511	1.2
351.30981	1.1
352.31894	3.2
369.31918	1.5
370.29434	0.8
370.33224	8.6
384.25656	0.7
514.37128	1.3
531.37250	3.2
532.25079	2.8
532.38373	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.05029	1.1
57.03431	0.3
58.06606	1.0
60.05635	0.6
60.08165	16.5
65.49771	0.3
67.05517	1.3
69.07064	0.8
69.53520	1.2
70.06593	0.7
71.07375	5.7
72.08132	0.6
75.05370	0.3
79.05486	1.4
81.07061	1.5
82.07406	0.3
83.04979	0.5
83.08617	1.1
84.08154	0.3
85.02894	0.5
86.09707	46.4
91.05489	1.4
93.07055	1.4
95.04969	0.5
95.08607	1.1
97.06504	0.3
98.98460	3.4
104.10744	100.0
105.07037	0.9
105.11060	0.6
107.08566	1.0
109.06523	0.4
109.10159	0.4
119.08597	0.6
121.06513	0.5
121.10146	0.4
123.08082	0.5
125.00003	24.6
131.08519	0.6
135.11696	0.3
137.09615	0.3
140.75623	0.3
145.10074	0.7
147.11647	0.5
149.09647	0.5
149.13225	0.5
159.11682	0.3
163.01517	0.4
184.07343	80.4
185.07693	0.4
258.11026	0.6
275.20062	0.7
278.21948	0.5
340.53412	0.3
349.23703	0.9
351.25662	0.3
352.25641	0.7
514.29303	6.0
532.30304	39.9
532.36066	1.7
533.30304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15008	0.1
56.05037	0.6
56.86022	0.1
57.03450	0.1
58.06621	0.4
59.07383	0.1
60.00183	0.1
60.05639	0.3
60.08165	6.4
67.05496	0.3
69.07064	0.2
69.72128	0.2
69.72497	0.3
70.06581	0.2
70.07371	0.2
71.07375	2.8
74.18325	0.1
79.05494	0.3
81.07065	0.4
83.05008	0.1
86.09708	31.1
87.10026	0.2
91.05479	0.2
93.07039	0.2
95.04973	0.2
98.23418	0.1
98.98471	3.6
104.10746	4.1
105.07048	0.2
125.00003	22.0
126.00429	0.1
139.52405	0.1
142.93211	0.1
143.01064	0.2
162.96230	0.1
184.07343	100.0
185.07683	0.5
258.11017	0.3
275.20016	0.2
514.29443	1.1
532.30304	7.5
533.30737	0.2
556.05084	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	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06002	3.5
53.03934	3.4
55.05513	14.7
55.84614	3.0
57.03432	7.7
57.07070	3.9
61.02921	9.8
67.05160	5.7
67.05503	90.2
69.07070	18.3
69.19492	19.3
79.05492	50.4
80.29356	3.5
81.06562	4.5
81.07053	94.4
83.08605	9.4
91.05474	27.5
92.05304	3.7
93.07043	64.8
94.59643	3.5
95.08603	79.9
97.02889	5.9
97.10174	4.6
99.08069	5.0
105.07044	17.8
107.08595	41.4
109.10163	38.4
117.07013	13.1
119.08578	16.6
121.10136	47.7
123.11723	18.8
131.08560	20.4
133.10112	17.6
133.16742	3.0
135.11690	33.3
137.13217	5.9
140.32895	3.0
145.10129	15.8
147.11655	13.8
149.13268	20.7
159.11670	10.5
161.13252	13.5
163.14853	15.0
173.13249	13.2
175.14749	5.2
177.16336	8.4
187.14832	10.5
191.28697	3.4
201.16347	4.3
236.56564	3.8
243.21092	30.4
261.22122	100.0
279.23257	8.3
311.02612	3.2
335.25821	29.0
353.26828	33.2
430.81015	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	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.0
56.29908	3.2
57.07059	5.8
58.24831	2.7
58.38353	2.9
61.02931	3.8
65.03900	3.2
67.05505	59.1
69.07057	10.6
69.20325	15.4
75.04489	2.8
79.05489	33.0
80.77950	2.9
81.07060	72.8
83.08622	6.6
85.02895	5.1
85.06548	4.3
91.05461	22.3
93.07045	52.6
95.04947	3.8
95.08605	59.9
95.97593	3.0
105.07027	17.3
107.08593	32.6
109.10146	30.8
117.07021	8.5
119.08549	17.2
121.10136	32.9
123.11700	18.2
131.08585	21.0
133.10149	16.3
135.11693	27.3
137.13234	7.1
145.10121	15.2
147.11693	13.4
149.13277	22.5
154.35153	3.2
155.33107	2.7
159.11702	15.5
161.13278	10.8
163.14803	17.8
165.12886	3.6
173.13216	13.8
175.14832	4.1
177.16429	8.4
187.14830	10.3
201.16330	4.2
215.18001	2.8
243.21072	35.5
261.22116	100.0
301.97464	3.1
335.25803	11.2
338.48621	3.1
353.26874	36.8
362.85034	3.2
428.24149	2.8
518.61224	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	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
54.41125	0.6
55.01862	3.9
55.05507	2.7
57.03437	7.3
59.04998	1.3
61.02924	9.5
67.05502	2.8
69.03429	30.5
69.07066	8.4
70.06579	1.0
70.79863	0.6
71.04979	4.9
72.08167	1.5
73.02924	3.6
79.05490	3.9
81.03420	12.6
81.07060	6.3
83.01385	0.9
83.04996	1.6
83.08627	1.6
85.02905	100.0
85.06542	1.0
86.03215	0.7
87.04466	5.5
91.03961	4.9
91.05002	0.6
91.05479	3.6
92.68188	0.7
93.07043	3.8
95.04984	7.3
95.08606	5.2
97.02892	34.9
97.06519	3.2
98.09695	2.3
99.04447	6.6
99.08070	0.7
103.03946	1.6
105.07037	3.9
107.08601	5.2
109.02876	10.5
109.06528	5.2
109.10160	1.8
113.06023	0.8
115.03945	1.9
115.69958	0.6
117.07035	1.1
119.04957	1.1
119.08559	5.3
121.06496	3.1
121.10154	4.5
122.07291	3.5
123.08068	19.3
123.11710	1.5
127.03914	26.9
131.08595	1.4
133.10158	4.4
135.08052	28.8
135.11649	3.9
136.08458	0.7
137.09637	1.4
142.12283	0.9
145.04962	40.5
145.10127	1.5
147.04402	4.3
147.11710	2.8
148.08841	0.9
149.09682	1.7
149.13271	1.5
161.09631	0.8
163.03882	0.8
163.06007	6.5
163.14821	0.9
165.12747	19.6
171.06534	3.3
173.13297	1.6
175.14911	5.0
176.11977	3.3
189.07544	3.4
191.14305	81.2
192.14607	1.2
193.15872	11.3
193.17511	0.9
207.13879	3.7
207.82819	0.6
209.15370	17.8
227.16440	0.6
293.29263	0.6
309.17032	1.2
352.86121	0.8
353.19797	3.4
353.32550	1.3
370.33484	1.6
371.20633	10.2
371.33386	1.3
468.57321	0.7
532.38361	5.4
533.26056	42.1
533.38806	9.7
534.26385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01863	1.5
55.05513	5.8
57.03437	2.8
57.07062	2.1
59.05005	2.5
66.46439	1.3
67.05507	7.5
69.03417	12.6
69.07063	11.4
69.20373	2.1
69.20777	7.6
71.04991	11.5
73.02928	1.4
79.05487	10.2
79.68302	1.4
81.03423	8.9
81.07052	13.2
83.04986	7.7
83.08606	4.7
85.02898	26.7
85.06539	3.3
86.09718	1.5
88.07651	1.3
91.05477	7.2
93.07043	16.2
95.04952	3.1
95.08600	18.3
97.02882	9.4
97.06539	5.3
97.10167	6.2
99.04456	23.8
99.08103	6.3
103.03940	29.8
105.07031	7.8
107.04961	4.4
107.08591	36.7
109.02857	8.2
109.06505	7.2
109.10156	11.7
111.08094	6.9
111.80493	1.3
112.98871	1.5
115.07568	1.9
119.08589	4.7
121.06517	9.9
121.10148	20.5
123.08062	10.0
123.11734	4.6
125.09622	16.2
127.03916	33.5
128.10716	4.4
129.09096	1.5
129.11084	1.4
131.08546	8.2
133.10121	12.4
135.08058	11.8
135.11713	5.3
137.09630	4.4
139.11162	18.4
143.10728	2.4
145.04956	19.0
147.11674	7.5
149.09616	21.2
149.13243	10.0
151.11182	13.0
153.09100	8.9
163.06024	15.0
163.14839	18.1
165.12717	3.6
173.13275	16.2
191.14297	49.2
191.15941	2.9
209.15356	62.2
227.16399	100.0
228.16701	1.5
271.08078	2.3
289.09158	1.6
307.10336	3.5
313.58231	1.4
338.51285	1.6
355.52032	1.4
401.68445	1.6
525.77228	1.5
533.19177	2.3
533.35077	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	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01870	1.1
55.05511	1.2
57.03437	2.1
61.02927	1.7
61.54342	0.5
67.05508	1.2
69.03432	12.3
69.07061	1.7
70.06590	4.4
71.04993	5.0
71.45121	0.5
72.08163	2.1
73.02912	2.1
77.70132	0.5
79.05495	1.2
81.03417	13.2
81.07059	2.1
83.04980	2.0
83.08607	0.6
84.04486	1.0
84.08162	1.5
85.02905	71.0
85.06538	0.7
86.09694	3.3
87.04471	1.0
91.04053	0.6
91.05494	1.4
92.42737	0.5
93.07045	3.4
95.04996	0.6
95.08593	3.4
96.08101	0.7
97.02894	19.2
97.06530	27.0
99.04454	39.8
99.08142	0.6
100.04755	0.5
103.03943	95.3
104.04276	0.5
105.07051	1.4
107.08598	4.8
109.02876	14.3
109.06524	3.2
109.09506	0.5
109.10173	2.3
111.08146	0.5
113.09666	0.6
114.09154	1.2
115.03915	0.9
119.08589	2.0
120.08137	0.7
121.06508	0.9
121.10157	2.5
123.08098	1.1
127.03915	100.0
128.04262	1.0
128.10715	1.5
129.10220	0.6
131.08542	1.5
133.10120	4.0
135.08040	1.7
135.11710	1.0
137.09647	0.9
139.11218	0.5
145.04959	64.8
145.10120	0.9
147.11708	1.4
149.09618	2.5
149.13271	3.2
151.11194	2.1
153.09087	0.6
161.13300	0.7
163.06018	49.4
163.14859	1.6
165.12706	0.5
167.10687	0.9
169.04980	1.2
169.12224	2.4
173.13281	2.7
187.06035	5.2
191.14325	7.0
205.07039	4.8
208.13963	0.7
209.15361	6.9
223.13364	0.6
227.16426	10.7
246.13469	0.6
253.07004	1.0
271.08087	6.2
283.88428	0.6
289.09143	4.7
307.10217	8.6
308.30649	0.5
524.24243	2.4
533.19110	4.8
533.36127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.05510	6.2
57.03442	1.6
57.07071	2.9
59.04998	1.8
61.63886	1.2
67.05511	8.0
69.03438	13.5
69.07073	8.4
70.95238	2.3
71.05002	9.0
72.08134	1.4
79.05506	8.5
80.98798	1.3
81.03415	7.9
81.07066	15.5
82.07395	1.9
83.04967	6.5
83.08622	4.7
84.08139	2.1
85.02909	22.6
85.06557	1.5
91.05494	6.4
93.07047	14.5
95.04954	3.2
95.08619	14.6
97.02908	8.9
97.06528	4.0
97.10181	3.6
98.22765	1.6
99.04458	22.2
99.08104	2.7
103.03950	24.0
105.07025	5.7
107.04955	2.9
107.08601	32.9
109.02869	7.4
109.06525	5.2
109.10159	13.4
111.08109	6.5
115.07551	1.5
117.06997	1.3
119.08556	3.6
119.23103	1.5
120.02283	1.2
121.06531	6.1
121.10154	17.7
123.08103	6.9
123.11722	4.6
125.09631	11.7
127.03917	31.1
128.04263	2.0
128.10718	4.8
129.11021	1.6
131.08588	6.7
133.10126	9.8
135.08054	11.4
135.11670	3.1
137.09631	5.3
137.34659	1.4
139.11192	15.6
145.04951	15.4
145.10104	2.0
147.11673	7.5
149.09621	19.4
149.13289	6.8
149.14304	1.3
151.11171	10.4
153.09113	4.9
158.10910	1.9
163.06079	11.2
163.14833	14.4
165.12825	2.6
167.07104	1.6
173.13271	14.4
182.68338	1.2
183.13817	2.4
187.06046	2.2
191.14319	35.1
209.15378	51.5
227.16429	100.0
271.08029	2.8
307.10574	2.5
533.19696	2.8
533.34778	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	534.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	54.4
72.91829	1.1
76.98747	1.0
97.73400	1.0
108.84603	1.2
119.19530	1.1
120.08104	1.7
142.60699	1.2
165.02289	2.4
166.08646	1.6
169.55640	1.3
176.03844	10.6
178.05406	23.3
183.03296	4.3
192.03387	1.7
194.04907	3.8
196.06470	17.2
201.04399	4.9
204.03305	5.9
208.03006	1.3
222.04370	45.0
226.03920	1.4
231.65610	1.3
238.06024	1.2
240.05421	41.2
251.02103	1.2
263.61758	1.1
324.55771	1.2
351.09753	2.0
369.11206	100.0
370.11453	2.2
387.12241	9.9
451.13895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05509	5.5
57.03426	1.5
58.06606	1.6
60.33503	0.9
66.73758	0.9
67.05505	3.5
69.03436	4.6
69.07076	9.3
69.78175	1.7
70.06582	3.7
71.04986	3.7
72.08150	2.6
73.02908	1.3
79.05486	7.2
81.03419	4.6
81.07059	8.7
83.04979	2.0
83.08632	2.1
84.08139	4.4
85.02907	20.1
85.06523	1.2
86.09702	2.5
87.04446	1.4
91.05443	6.0
93.07040	11.3
95.04950	1.2
95.08606	12.5
97.02895	7.6
99.04452	10.4
99.08102	1.9
103.03939	26.6
105.07031	27.2
107.08604	14.3
109.02877	4.6
109.06520	1.2
109.10136	3.3
113.09649	1.6
114.22160	1.2
119.08580	41.6
120.08078	2.2
121.10154	6.2
123.08063	1.8
123.11709	1.7
127.03028	1.8
127.03922	28.8
128.10722	2.5
129.07021	0.9
131.08594	1.1
133.10129	45.9
135.11693	17.1
137.05949	1.4
137.09636	1.1
145.04955	19.7
145.10092	2.3
147.11702	3.6
149.13261	1.8
163.06012	22.9
173.13237	1.3
175.14822	100.0
176.15150	2.1
177.16362	1.3
187.06067	1.6
193.15855	6.7
205.06966	1.3
215.05609	1.2
216.36827	1.2
245.41458	1.0
271.08234	2.0
289.09152	3.2
307.10297	10.6
312.29138	1.0
336.28915	1.7
354.30060	1.9
372.31110	4.0
423.94528	1.0
474.34247	2.5
534.25665	1.0
534.35693	11.2
535.21552	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40254	0.2
53.29082	0.2
55.05503	0.4
56.05040	0.5
58.06615	0.5
60.08167	7.3
67.05495	0.3
69.07063	0.2
69.60350	0.7
69.60706	0.3
71.07373	3.3
79.05495	0.4
81.07051	0.6
83.04989	0.2
86.09707	32.0
87.10045	0.2
93.07052	0.4
98.98453	2.9
104.10744	12.0
111.04449	0.4
111.98300	0.2
125.00004	21.0
143.01091	0.2
147.91014	0.2
155.07057	0.7
173.08115	1.2
184.07339	100.0
185.07713	0.6
258.11102	0.4
260.46490	0.2
343.95963	0.2
497.24368	0.2
504.28812	0.2
516.30945	1.8
517.22760	0.6
534.31909	8.6
535.32373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.05022	1.3
58.06613	0.9
58.58332	0.7
60.08164	14.8
67.05494	1.9
69.07051	1.2
69.75021	1.6
71.07373	6.2
71.08612	0.9
78.70580	0.7
78.89856	0.8
79.05476	1.9
81.07047	2.2
83.04976	0.8
86.09705	49.9
91.05494	1.0
95.08607	1.4
98.23399	1.1
98.98442	3.8
104.10741	100.0
105.07037	0.9
125.00000	30.1
133.10034	0.7
149.02344	3.7
149.03409	0.9
184.07336	99.3
185.07585	0.8
193.04884	1.6
258.11014	1.3
429.11621	1.0
516.30914	6.7
517.16852	4.4
530.91345	0.7
534.31921	36.8
535.31750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73783	0.9
55.05507	1.6
56.05024	1.0
58.06572	1.0
60.08165	16.1
62.50051	1.1
67.05502	3.0
69.07060	1.7
69.53529	3.4
71.07369	7.1
79.05500	2.5
79.77307	0.8
81.07063	1.6
86.09705	44.9
87.10047	1.2
87.92252	0.9
91.05473	3.0
93.07060	1.2
95.04951	1.9
95.08599	1.3
98.98446	3.6
99.03851	1.1
104.10741	96.6
105.07034	2.2
107.08611	1.2
118.19259	0.9
118.71626	1.0
119.08561	1.7
121.10134	1.2
124.99998	29.0
159.11665	1.2
171.99420	1.1
184.07339	100.0
185.07620	1.6
185.75818	0.8
223.13370	2.1
275.20099	1.3
291.14767	1.2
293.21194	1.0
298.21851	1.1
373.25131	1.1
498.30170	4.6
516.30859	38.1
534.30780	2.4
535.30627	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82323	0.2
56.05035	0.5
58.06374	0.2
58.06638	0.5
60.08166	6.7
62.06077	0.4
67.05497	0.4
69.76231	0.4
69.76629	0.3
70.06595	0.3
71.07370	3.0
79.05501	0.3
81.07044	0.3
81.78519	0.2
83.13689	0.2
86.09705	30.0
91.05476	0.3
93.07027	0.4
95.08547	0.2
98.22813	0.3
98.98467	2.9
104.10742	3.4
106.22474	0.2
107.08648	0.2
125.00002	19.6
133.10130	0.3
143.01079	0.3
147.11592	0.2
184.07338	100.0
185.07660	0.7
258.11017	0.3
489.42398	0.2
498.29523	0.6
507.78589	0.2
516.30841	5.9
534.30579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59156	3.9
55.05496	23.4
57.07074	14.2
60.76094	4.1
61.50465	4.2
65.93792	4.2
67.05505	88.9
68.07952	5.1
69.07062	31.6
69.23502	28.7
71.08621	8.3
76.92853	4.9
79.05489	20.5
81.07059	99.6
83.08627	23.4
85.02915	5.1
91.05467	15.2
93.07039	25.9
95.08605	78.1
97.06525	7.0
97.10135	11.3
105.07027	15.5
107.08585	12.7
109.10136	40.5
110.58813	4.7
119.08558	21.6
121.10140	21.5
123.11703	19.1
124.06890	4.3
133.10112	18.0
135.11688	12.1
137.13246	9.1
147.11720	11.4
149.13275	12.1
151.14815	11.5
155.14301	5.6
161.13261	12.6
163.14801	7.1
165.16391	8.8
175.14809	13.3
179.17950	5.7
245.22668	64.5
263.23715	100.0
337.27350	62.3
355.28333	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	534.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.5
57.03434	5.1
57.07072	4.3
67.05509	10.2
69.07062	10.1
71.06407	4.1
71.08667	2.8
79.05479	9.9
81.07054	26.3
83.04991	7.1
83.08576	6.3
85.10205	5.0
91.05479	8.7
93.07043	34.7
95.08606	28.5
95.09154	4.2
97.06534	6.6
105.07031	20.4
105.55511	2.9
107.08582	21.7
109.02888	6.0
109.06521	3.4
109.10156	40.0
111.08083	44.7
112.21709	3.2
117.07027	5.2
119.08578	23.1
121.10149	78.2
123.08064	6.1
125.09634	8.0
127.03915	33.8
127.11163	7.3
131.08569	7.2
133.10123	12.7
133.94310	2.9
135.11668	7.6
137.09586	3.3
139.11150	21.6
145.10141	15.1
147.11687	5.4
149.13232	5.2
155.01614	2.9
158.75943	2.7
159.11694	29.3
161.13261	49.4
163.11272	3.5
169.00676	3.1
173.13258	4.1
175.14807	6.9
177.12839	6.8
177.16380	23.2
201.16388	100.0
219.17445	78.2
237.18483	42.8
278.17957	3.7
281.21088	13.2
361.27347	4.3
447.21420	6.2
448.21927	4.1
461.08420	3.2
481.36639	22.7
499.37701	36.5
517.39044	29.6
534.26068	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	534.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08986	2.9
55.05508	9.0
57.03445	6.5
57.07071	5.5
59.23182	3.3
60.66224	3.7
67.05506	16.4
69.07059	12.0
69.08952	9.8
69.09377	13.5
71.04989	4.2
71.08633	6.6
77.08031	3.1
79.05480	9.5
81.07064	27.9
83.04979	7.0
85.06538	3.6
91.05482	11.5
93.07047	38.1
94.85786	3.3
95.04997	5.1
95.08601	28.6
96.88839	3.3
97.06509	7.4
105.07018	12.1
107.08587	19.0
109.02859	10.3
109.06538	4.4
109.10145	47.9
111.08083	44.4
115.03892	4.3
119.08580	26.6
121.10136	76.4
123.08043	6.5
125.09621	4.8
127.03905	24.1
127.11182	6.9
131.08568	9.2
133.10112	11.4
135.11743	6.8
139.11194	23.1
141.05455	5.1
145.10101	14.3
149.13290	5.5
151.11055	3.4
155.07117	3.6
159.11703	26.7
161.13254	42.3
173.13271	7.0
175.14815	10.3
177.12764	4.7
177.16399	20.3
191.37289	3.2
201.16376	100.0
219.17421	62.0
229.58270	3.1
237.18506	52.2
281.21057	11.0
290.37991	3.5
345.24142	3.5
346.24759	3.3
379.28442	4.6
406.30301	3.9
481.36618	14.6
499.37915	40.7
517.39075	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	535.1449
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01877	8.3
61.02925	2.5
69.93901	2.7
69.94234	4.5
70.06599	2.3
86.09683	2.1
97.02970	2.2
97.57475	2.1
107.04928	3.1
119.04970	7.8
121.02857	38.4
142.77551	2.0
145.02879	5.9
159.04387	2.7
179.98865	2.5
187.03880	2.8
189.01822	6.7
189.05766	2.2
195.02924	5.6
199.03947	2.2
203.03381	17.4
205.04935	3.5
207.02861	5.5
215.03429	9.5
217.05045	6.1
219.02969	4.4
221.04448	4.6
229.04903	2.8
233.04503	2.6
243.03015	3.6
245.04594	2.6
267.06235	2.3
268.07199	3.6
269.04340	3.1
271.06168	2.2
279.06476	5.1
281.07922	3.6
283.05997	4.4
292.07159	3.8
293.08035	3.2
294.05203	12.9
295.06006	59.4
296.06845	5.3
297.07410	4.0
307.06012	43.9
308.06772	15.9
309.07434	18.8
313.07022	2.6
317.08063	4.9
319.05905	7.5
320.06815	7.8
320.78870	2.3
321.07571	47.1
322.08386	8.1
323.05475	2.6
323.08887	4.6
325.07028	42.7
325.10660	3.2
329.08090	5.6
333.07532	30.1
334.08319	6.0
335.09140	17.8
337.07071	35.6
339.08673	4.2
343.09561	2.7
345.07648	14.4
347.09052	7.2
349.07053	46.6
349.11029	4.1
351.08679	18.2
355.08228	4.6
359.09195	6.2
361.06973	30.5
361.10806	2.5
363.08658	24.9
367.08102	9.3
373.07025	16.1
375.08740	17.7
379.08090	70.3
387.08603	8.0
391.08099	53.8
393.09537	4.2
397.09195	34.0
399.08542	5.0
403.07831	15.8
405.09564	11.2
409.09128	45.6
410.21115	2.5
415.08295	13.4
417.09555	7.6
419.07794	2.4
421.08896	4.9
427.10190	32.2
433.09244	29.6
445.09772	21.7
451.10190	33.5
463.10263	21.9
469.11288	63.9
481.04355	4.4
481.11310	92.3
499.12360	100.0
517.06500	2.8
517.13489	41.1
534.32397	3.1
535.14435	19.4
535.22375	3.7
535.31476	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	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.2
60.46601	1.2
61.02925	5.6
67.05484	1.8
69.03437	1.4
69.07092	1.7
70.06579	6.2
71.29082	2.3
72.08145	3.2
81.03418	2.3
81.07068	2.9
84.04508	2.0
84.08121	1.8
85.02888	4.0
86.09698	6.4
91.05527	2.2
93.03421	1.7
93.07052	1.9
95.04961	1.9
95.08649	1.6
96.08155	3.5
97.02896	4.0
99.04486	2.0
99.08085	3.1
102.05539	1.7
103.03928	2.3
104.05342	1.3
105.07009	1.4
107.04970	3.7
109.02863	2.4
111.04484	1.8
114.09150	2.1
119.04140	2.1
119.04934	13.5
119.08534	1.7
120.08099	2.5
121.02871	59.6
127.03920	4.0
131.04903	1.9
133.10129	4.3
135.04384	2.8
145.02834	9.3
145.04912	1.8
147.04434	3.1
149.09592	1.4
151.03911	1.3
156.10188	2.6
159.04417	1.7
161.02335	1.9
163.03929	2.8
163.06044	1.4
165.25040	1.5
171.04391	3.7
175.03928	1.9
177.01865	3.3
177.05460	1.5
179.03426	2.4
187.03891	3.6
189.01874	10.6
189.05489	3.1
190.02621	1.3
191.03391	6.9
193.05136	1.4
193.15880	2.9
195.02905	7.5
199.04019	3.6
200.47951	1.2
201.01785	1.7
203.03426	21.8
205.04965	4.4
207.02902	7.5
209.04376	1.9
209.15398	1.6
211.03899	1.4
211.17018	2.4
215.03375	9.8
215.82625	1.4
217.05000	9.1
219.02905	5.0
221.04483	6.1
225.05513	1.4
227.03334	2.9
229.04942	4.4
231.02934	5.3
233.04514	5.6
241.04951	3.7
243.02882	6.2
243.06516	1.7
245.04448	4.3
251.07129	1.6
255.02890	3.3
257.04443	1.5
260.72626	1.3
261.03903	2.4
263.07010	1.5
267.06680	2.4
268.07291	4.8
269.04373	2.4
273.03998	2.9
279.06595	5.9
280.07233	2.9
281.04703	2.5
281.08075	4.5
283.05988	5.5
284.06854	2.0
291.06525	3.0
292.07239	3.6
293.08026	5.6
294.05264	18.3
295.06030	78.6
296.06750	5.0
297.07523	9.3
303.06458	1.4
303.09897	1.7
304.07254	2.0
305.07959	4.3
306.08780	4.3
307.06018	56.6
307.09357	3.4
308.06760	20.0
309.04111	1.8
309.07556	27.1
310.07953	1.5
313.07074	3.9
317.08099	6.5
318.08783	1.9
319.06165	7.8
319.09479	2.4
320.06845	13.0
321.07587	65.0
322.04849	2.7
322.08197	11.6
323.05804	1.9
323.09128	10.4
325.07062	59.6
326.07254	1.6
329.08154	6.9
331.06079	3.1
333.07587	35.7
334.08191	6.0
335.05518	2.3
335.09097	29.0
336.06161	4.4
337.07053	51.4
339.08575	5.1
341.36914	1.4
345.07602	20.4
346.08102	1.7
347.09042	8.8
348.06146	3.1
349.07047	58.1
349.10416	2.4
350.07632	2.4
351.04517	2.0
351.08658	29.0
355.08276	5.6
358.08716	1.5
359.09274	6.5
361.07019	33.7
362.07727	3.4
363.08652	35.4
367.08167	13.8
371.09140	3.1
372.27368	2.8
373.06985	22.1
375.08694	14.0
377.10294	3.2
379.08115	83.1
380.08487	2.0
387.08603	14.4
389.10117	5.7
391.08124	70.1
393.09586	5.9
397.09164	45.7
398.09842	1.5
399.08636	5.3
403.08157	14.2
405.09790	13.0
409.09177	74.8
415.08713	12.2
417.09824	9.6
421.09079	7.5
422.09482	2.1
427.10269	51.3
433.09174	28.2
445.09637	22.6
451.10269	33.2
463.10254	21.1
469.11298	68.0
470.11450	2.1
475.31366	3.0
481.11325	100.0
482.11453	2.9
499.12387	88.7
500.12469	3.9
517.13409	34.3
534.32422	5.6
535.14392	10.6
535.31970	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	535.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.9
68.16104	0.6
70.19212	1.2
73.84327	0.5
96.41531	0.5
158.85982	0.5
166.87888	0.5
167.05591	1.7
239.09518	0.6
259.08145	0.6
262.44751	0.6
290.72314	0.6
299.06204	3.1
535.28766	100.0
536.29022	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	535.288
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
51.72061	0.5
67.05510	0.6
73.04726	0.6
89.62991	0.5
91.05843	0.7
104.10762	1.2
135.15987	0.5
167.05586	1.5
185.04204	0.6
203.05307	0.9
266.99524	0.6
270.75201	0.5
277.94754	0.5
299.06091	2.9
344.98004	0.7
440.19244	0.5
535.17676	2.7
535.28766	100.0
536.28882	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	536.1769
Annotation	Davallioside A
Peak:m/z	Relative Intensity
53.03922	1.4
55.05488	1.4
56.05009	1.6
57.03409	2.2
58.06568	0.8
61.02913	1.0
64.42831	0.6
65.03916	0.6
67.05489	4.3
68.99484	0.5
68.99788	7.4
69.03429	5.7
69.07037	2.0
70.06591	25.8
71.04966	0.9
72.08150	4.4
73.04731	1.3
79.05487	3.1
81.03426	3.3
81.07056	4.3
83.04933	1.1
83.39632	0.6
84.04491	1.5
84.07688	0.6
84.08137	7.9
85.02897	7.5
86.06050	0.8
86.09706	8.2
87.04462	1.0
91.05357	3.0
91.05902	0.8
93.07007	1.7
95.04989	5.0
95.08569	2.4
97.02872	2.9
97.06480	2.2
98.09682	7.2
99.04431	1.2
99.08056	0.9
101.07120	0.6
102.05537	0.9
103.03968	0.8
103.05499	0.9
105.06998	1.8
107.04943	0.9
107.08588	1.1
108.08072	0.7
109.02869	1.3
109.06488	1.5
110.07156	1.8
110.97214	0.6
111.04440	1.7
112.43188	0.6
114.09150	1.6
119.04932	2.0
119.08572	1.3
120.08115	3.8
121.06453	1.3
121.10119	0.9
123.04425	4.5
127.03894	2.6
129.10240	7.9
131.04863	0.9
131.08533	0.9
133.06461	0.9
133.10095	0.9
135.04410	1.2
135.08014	0.6
136.07558	5.1
137.02341	52.0
137.03400	2.2
137.05962	2.7
139.03905	3.0
142.12270	5.7
144.10161	2.8
145.02832	1.7
145.04971	1.1
145.10161	0.8
146.82846	0.6
147.04414	0.8
147.07570	1.0
149.04584	1.0
149.05945	2.2
151.03894	2.6
151.07523	3.4
156.13780	1.2
158.09164	0.7
159.04434	1.1
161.05934	2.9
163.03925	1.5
165.01817	2.4
166.08633	0.9
167.03403	1.1
167.05574	3.0
167.06851	0.7
173.09247	1.6
173.12956	0.9
175.03914	1.5
177.05461	12.6
178.08559	1.2
179.03438	9.9
179.07019	25.0
187.03877	3.9
187.14478	0.6
191.07063	1.4
193.04929	4.2
195.06514	1.0
196.09695	17.3
196.28929	0.7
199.07480	0.6
202.08589	0.8
203.07018	3.1
204.06554	13.7
204.08316	1.1
205.04958	82.8
206.05330	1.3
217.04803	0.8
222.07602	85.4
223.05968	3.1
223.07921	1.0
225.04271	0.8
225.07541	1.2
242.14986	0.7
242.18379	0.9
266.99957	0.9
271.05939	1.0
287.05356	2.9
297.07742	1.1
299.06009	8.2
309.07397	1.0
311.09030	2.4
313.07074	3.6
321.07635	2.8
327.08533	1.1
338.10046	3.7
338.26865	1.5
339.08612	27.5
344.97495	1.2
348.11194	0.7
356.11276	35.1
356.27954	5.3
357.09796	1.0
359.02722	0.8
366.12094	1.6
374.12323	20.0
374.28961	4.8
415.03333	0.8
452.12955	0.7
482.14020	0.9
500.15555	2.8
518.16589	18.0
518.33472	8.7
519.16473	1.2
535.32300	1.0
536.17596	100.0
536.34601	27.9
537.17908	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	536.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.13258	0.9
55.01848	2.2
55.05509	1.3
56.05032	3.7
56.76116	0.9
57.03434	4.0
58.06631	0.9
61.02927	2.1
62.35354	1.0
63.25406	0.9
67.05505	5.3
68.99794	10.4
69.03434	7.1
69.07086	2.7
70.06598	39.6
70.46555	1.1
70.71637	1.0
71.04990	3.0
72.04510	1.1
72.08159	8.5
72.83920	0.9
73.02921	2.3
73.04741	1.3
79.05499	7.3
80.55418	1.0
81.03416	4.4
81.07059	16.0
84.04507	1.3
84.08152	9.6
85.02903	19.3
85.06564	1.0
86.09724	10.6
87.04487	2.4
91.05478	3.0
91.05878	1.1
93.03416	1.3
93.07040	4.5
95.04986	6.3
95.08614	2.9
96.08119	1.5
97.02900	5.6
97.06544	6.4
98.09704	14.8
99.04460	2.2
99.08102	3.2
102.05550	1.3
105.07021	3.5
107.04952	0.9
107.08595	2.0
109.02880	2.4
109.06532	2.9
110.07162	2.3
111.04430	2.2
114.09120	1.1
116.07092	1.1
117.07043	1.6
119.08592	2.1
120.08115	3.3
121.02849	2.9
121.06490	6.9
121.10177	1.8
123.04471	3.0
127.03909	3.4
129.07031	1.4
129.10254	7.1
131.04970	1.5
133.06531	1.4
133.10143	3.5
135.04384	2.1
135.08003	1.2
135.11690	2.0
136.07603	1.9
137.02350	51.1
137.03419	3.6
137.09579	1.7
138.05478	1.4
142.12262	11.0
143.08614	1.5
145.10103	1.7
147.04480	1.8
147.08061	2.0
147.11508	1.8
149.04694	1.5
149.06053	2.6
151.03870	1.4
153.01805	4.3
156.13858	1.5
157.06456	1.7
159.08026	0.9
161.05957	1.8
161.09648	1.0
163.03883	2.1
163.07498	1.4
163.11116	1.1
165.01839	3.4
167.05556	3.9
173.06006	2.8
175.03929	2.2
175.07553	3.6
176.04684	0.9
177.01866	1.9
177.05440	2.8
179.03375	7.1
180.60509	1.0
181.06549	1.2
183.08025	1.1
185.06009	2.2
187.07500	1.6
189.05368	2.4
189.09085	1.4
190.08575	1.5
191.03398	2.0
191.07048	9.2
193.04849	1.3
195.06493	1.2
197.13118	1.3
199.07541	1.8
201.05472	2.9
203.07040	5.5
204.06531	1.6
205.05008	9.0
207.06512	1.3
208.09660	2.5
214.05112	1.3
214.08607	1.5
215.03375	1.2
215.07051	3.1
216.06529	4.1
217.04990	13.3
217.08527	2.3
220.09770	1.2
221.07951	2.4
222.07642	4.4
227.06950	2.4
229.04987	4.5
229.08490	1.4
231.06490	1.6
234.07643	11.5
235.06027	3.3
241.08661	1.6
243.06538	3.5
245.08093	6.7
245.18631	1.8
246.07498	1.9
247.05988	5.3
249.04018	3.8
253.13315	1.1
255.06641	1.4
256.09732	1.4
257.08084	4.7
259.05988	1.8
259.09421	1.0
261.03983	4.7
262.10800	1.9
264.08636	2.9
267.06479	1.3
269.08081	2.8
270.07681	1.4
271.05984	12.1
274.10583	1.6
275.09039	1.7
283.03058	1.2
283.06070	3.8
285.07422	1.5
287.09045	2.2
288.08643	9.3
294.07803	1.5
295.06042	2.4
299.06122	7.8
300.08661	4.5
301.07074	2.8
305.10156	1.1
311.05533	2.3
313.07181	6.9
318.09601	1.5
322.12854	2.0
330.09781	2.4
331.08109	3.4
338.26862	2.1
339.08582	2.0
340.13977	6.5
344.97717	2.7
348.10870	12.6
349.09286	1.6
350.10400	2.9
351.08551	10.1
356.27997	11.1
363.08682	3.1
366.11880	30.3
368.11270	8.1
369.10052	1.3
374.23615	2.4
374.29034	10.2
377.10352	2.4
380.11258	1.1
381.09766	2.0
384.12924	1.9
386.12320	2.7
391.11975	2.1
398.12366	3.5
405.09683	3.8
416.13333	6.3
422.12393	6.1
429.10013	1.6
437.20251	1.4
440.13351	9.3
446.12332	2.7
447.10791	3.1
452.13510	7.7
464.13565	6.8
470.14508	1.6
482.14572	9.8
487.29608	1.1
489.69946	1.3
500.15506	32.5
501.14258	2.5
518.16608	100.0
518.33032	12.8
519.16760	2.9
535.33588	1.9
536.17346	13.2
536.27130	12.6
536.34106	67.8
537.34601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.01884	0.4
56.05043	0.4
57.03442	1.0
60.04515	0.4
61.02931	1.3
62.20068	0.3
63.02386	0.3
66.66354	0.3
69.03431	3.1
70.06595	4.3
72.08165	1.2
73.02913	0.4
73.04752	1.0
81.03416	1.5
84.04502	0.6
84.08151	3.8
85.02909	12.3
86.09721	1.8
87.04475	0.3
88.32652	0.3
89.03918	5.1
91.03975	0.5
91.05836	0.8
97.02895	4.0
99.04494	0.6
101.07217	0.3
109.02902	0.8
117.03384	13.4
120.08096	0.8
121.06491	0.4
123.37424	0.3
127.03918	3.1
129.10242	1.6
131.28270	0.3
134.03613	1.8
135.04436	1.8
136.07584	0.4
137.02345	1.0
138.05370	0.5
141.63725	0.3
145.02852	42.3
145.04807	5.8
146.03218	0.5
149.05981	7.3
153.05489	0.4
159.09196	0.3
162.03140	0.7
163.03915	4.1
163.06007	1.7
167.05550	1.9
177.05473	100.0
178.05811	0.9
180.08704	0.8
186.05522	0.3
195.06528	62.8
204.16005	0.4
205.04863	0.3
239.09651	0.4
241.07991	0.5
278.10718	0.3
280.09006	0.5
283.03018	0.5
296.11942	0.7
298.09970	0.5
299.06143	3.3
311.05505	0.3
330.21008	0.4
344.97729	0.5
366.11951	0.5
368.11270	0.3
395.15475	0.4
399.58276	0.3
415.03555	0.8
421.69595	0.3
439.17755	0.4
441.12820	0.3
518.16656	1.7
518.22949	0.4
536.23212	9.2
536.30750	0.9
552.22949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01871	2.5
57.03434	3.7
59.05006	0.4
60.04507	0.3
61.02628	0.5
61.02925	6.5
63.06252	0.2
65.03941	0.6
69.03426	12.2
69.85051	0.3
69.85400	0.9
71.04993	1.4
73.02921	2.4
73.04755	1.1
76.09844	0.2
79.05495	1.1
80.72919	0.3
81.03412	5.7
83.01344	0.7
83.05000	0.3
84.04520	0.3
85.02901	68.8
87.04463	1.2
91.03959	3.3
91.05415	0.6
91.05888	0.5
93.03416	0.5
93.07037	0.4
95.04990	0.6
96.04515	0.5
97.02891	20.0
98.06033	0.5
99.04459	3.3
101.02368	0.4
101.13779	0.2
103.03943	0.8
103.05469	7.1
105.07042	2.0
107.04950	9.0
109.02874	6.7
111.04449	0.8
115.03927	0.7
115.05460	0.7
116.53474	0.2
117.06991	0.4
120.05726	1.1
121.06535	0.4
126.05527	0.9
127.03910	16.5
131.04918	1.7
133.06503	0.6
135.08055	8.0
139.03870	4.1
144.06549	2.4
145.04951	29.2
147.06450	0.3
148.05167	0.4
149.04434	0.4
154.06239	38.4
155.06659	0.3
162.07666	1.2
163.06026	10.8
163.07542	29.6
164.07898	0.4
167.05545	1.8
167.07056	1.3
180.07555	2.0
195.10155	100.0
196.10553	1.5
225.04210	0.3
239.09528	0.3
256.06790	0.3
266.99872	0.6
279.34259	0.3
283.03009	0.7
289.09113	0.4
299.06134	3.9
300.37201	0.2
306.11771	0.4
324.12845	0.7
325.11218	0.5
344.97635	0.3
350.21970	0.3
415.03403	0.4
426.88379	0.3
503.10278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73426	0.6
55.05500	1.6
56.05046	3.2
56.28561	0.6
57.03418	0.8
60.04522	1.1
65.70589	0.6
67.05502	2.1
67.10721	0.8
69.03430	2.3
69.07061	1.5
70.06590	3.6
71.04983	1.0
72.08154	6.4
73.02934	0.6
73.04762	2.4
74.02438	1.2
74.06078	4.7
74.22887	0.6
74.52055	0.6
79.05477	1.4
81.03422	2.0
81.07050	3.6
83.04971	1.6
84.08139	2.3
85.02891	4.4
86.09702	91.4
87.05590	3.0
87.10020	0.8
91.05363	1.1
91.05804	3.1
93.07017	3.3
94.06550	0.8
95.04972	1.4
95.08593	2.4
96.08158	0.7
97.02887	2.9
97.06512	1.1
98.06030	1.3
98.09692	3.5
99.04451	2.6
103.03947	2.3
103.05457	3.7
105.07054	1.9
107.04974	1.7
107.08597	1.2
109.02879	1.2
109.10146	2.4
111.08112	0.9
116.07122	1.1
119.08571	1.4
120.08101	100.0
121.10134	1.8
126.05485	7.0
126.06163	0.6
127.03899	5.4
127.11169	1.0
128.07335	0.7
133.06067	11.0
133.10162	1.2
135.11707	1.1
135.77489	0.7
136.07584	1.6
137.05956	0.8
145.04904	2.4
145.10110	1.8
156.13818	1.3
163.06020	1.6
163.11177	1.1
167.05511	4.1
173.12924	1.4
177.05415	0.9
195.11305	1.5
211.14383	1.6
225.04425	1.0
233.11720	0.7
233.16498	5.0
239.13889	29.2
240.13417	0.8
254.77713	0.8
257.14948	16.4
261.16034	5.0
263.10342	4.8
266.99838	1.3
280.12894	16.6
283.03079	2.1
299.06165	9.1
321.12970	0.8
338.26996	1.1
344.97672	1.6
356.27939	1.8
359.02737	0.8
374.28613	3.3
376.22272	2.1
386.20749	0.6
393.21182	1.8
404.21613	2.1
415.03448	1.8
474.23444	0.8
518.27136	0.7
518.33264	7.7
536.18140	0.8
536.33368	11.1
537.33136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02965	2.2
53.03936	2.9
55.05506	6.7
57.03422	2.9
58.15358	2.0
58.72338	2.2
59.00733	2.2
67.05500	5.8
69.03436	10.4
69.07065	12.6
69.70416	4.5
69.70763	5.7
70.06592	3.3
71.04982	4.6
72.08141	2.2
73.04753	4.3
79.05493	10.0
80.78883	2.4
81.03428	5.2
81.07062	19.0
83.08607	12.2
85.02905	53.7
85.06553	2.6
86.09697	5.2
93.07048	16.3
93.56010	2.1
95.08600	39.0
97.02903	12.9
97.10163	6.4
99.04456	26.3
99.08091	3.5
103.03938	59.8
105.07034	5.2
107.08594	37.6
109.02894	5.5
109.10166	8.7
111.97971	2.6
113.09666	3.3
119.08599	3.4
120.08152	5.6
121.10144	57.1
127.03914	65.7
127.04857	3.2
133.04984	3.3
133.10190	3.3
135.11711	9.8
137.13249	6.6
145.04956	56.9
149.13246	5.5
151.07559	3.0
162.83922	2.6
163.06010	71.6
167.05545	7.1
177.16380	100.0
177.17935	5.3
187.06021	4.4
195.17468	6.0
205.07127	3.8
207.13792	42.0
214.87512	2.3
225.14893	2.9
249.48251	2.4
271.08203	9.2
289.09280	13.2
292.02563	2.3
299.06183	14.3
307.10242	41.6
333.59167	2.3
398.98874	2.6
508.12344	2.6
536.32904	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	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54625	0.1
56.05046	0.6
58.06634	0.4
60.08162	5.4
67.05505	0.7
69.62675	0.5
70.06583	0.2
71.07378	2.8
73.04765	0.3
75.05602	0.1
75.11848	0.1
77.86011	0.1
81.07072	0.4
86.09707	28.7
87.10009	0.2
91.05837	0.3
93.07043	0.2
95.08618	0.3
97.34680	0.1
98.03712	0.1
98.23474	0.2
98.98469	3.1
104.10741	3.0
105.07069	0.1
121.10150	0.2
125.00002	18.9
139.33603	0.1
143.01056	0.2
157.09941	0.1
167.05548	0.7
171.16469	0.1
184.07339	100.0
185.07675	0.7
195.41560	0.1
213.04222	0.1
225.04424	0.2
258.11023	0.2
283.03076	0.2
299.06146	1.5
300.06174	0.1
344.97363	0.3
415.03641	0.2
500.31400	1.1
518.32434	7.2
519.32465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51344	1.4
51.38139	1.4
57.02501	2.0
60.08163	15.6
67.05508	2.3
71.07377	4.8
71.44942	1.5
73.04763	7.4
81.07082	2.0
86.09705	47.0
91.05820	11.4
98.98483	2.5
104.10738	73.8
125.00010	26.1
149.04559	3.4
167.05550	14.6
184.07341	100.0
225.04280	4.0
235.74820	1.7
239.09531	2.7
266.99930	3.1
281.05026	1.8
283.03104	4.7
299.06155	32.0
300.06003	2.2
306.04019	1.7
344.97644	8.2
359.02817	2.5
390.75354	1.6
409.90268	1.8
415.03540	5.4
500.31168	6.5
500.47427	2.0
518.32465	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46997	0.6
60.08162	6.6
67.05499	1.1
70.15669	0.7
70.57883	1.3
71.07368	2.6
73.04749	2.5
80.94822	1.2
86.09706	29.0
88.31963	0.7
91.05807	6.0
98.98472	2.9
104.10724	3.2
114.07315	0.7
125.00006	20.6
125.50563	0.6
149.04492	1.5
149.34590	0.7
167.05531	5.8
184.07343	100.0
216.04463	0.7
225.04486	1.2
239.09332	1.0
266.99869	1.8
281.05139	1.4
283.02951	2.0
299.06180	13.5
344.97559	2.9
359.03009	1.1
415.03558	2.1
500.31265	1.3
503.10611	1.2
518.32501	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	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40286	1.3
60.08164	17.4
67.05498	1.8
69.92980	3.5
69.93304	2.0
71.07373	6.0
73.04747	6.2
76.63521	1.6
76.80864	1.6
81.07075	2.2
86.09702	50.6
91.05810	10.1
93.07040	1.5
95.08603	3.1
98.98467	4.2
104.10738	100.0
106.06719	1.4
125.00000	28.2
149.04498	4.1
164.85931	1.3
167.05548	13.5
184.07336	93.6
223.06361	1.6
225.04315	3.3
239.09496	3.4
241.80739	1.6
252.11136	1.4
258.10886	1.6
266.99991	3.3
281.05057	2.2
283.03088	6.3
299.06128	31.2
344.97784	7.0
359.02884	3.3
394.08807	1.9
415.03729	4.9
500.31439	8.8
503.11038	2.5
518.32428	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84499	0.6
54.94500	0.5
55.05499	1.8
57.07069	1.0
60.08164	6.0
65.13838	0.5
67.05491	1.7
69.07066	2.1
71.04984	0.6
71.07359	2.1
71.08607	0.6
73.04745	1.7
81.07049	1.7
83.08621	1.5
86.09193	1.2
86.09705	17.7
91.05782	2.2
93.07042	1.0
95.08613	1.9
96.08128	0.8
97.10159	0.9
98.98455	1.7
104.10741	30.5
107.08657	0.8
109.10141	1.0
114.07317	0.7
121.06581	0.6
121.10105	1.3
122.06039	1.1
124.99176	0.7
125.00005	9.6
135.11693	1.3
140.07021	0.8
149.04543	0.9
150.26189	0.6
167.05602	3.3
176.14279	0.9
182.17145	0.5
184.07339	34.3
216.13496	1.0
225.04300	0.8
238.53175	0.6
239.09245	0.7
244.13026	2.7
265.25375	3.3
266.99832	1.2
283.03055	1.0
283.26050	0.6
299.06158	8.4
300.30872	0.5
315.19321	5.9
320.65634	0.6
339.28833	2.7
344.97549	0.8
415.03470	1.5
518.32001	1.1
518.36792	1.5
536.33234	100.0
537.33295	2.4
546.18549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98367	0.3
55.05503	0.8
56.05041	1.5
57.03434	0.9
58.06610	1.3
59.07369	0.5
60.08167	15.2
64.83971	0.3
67.05504	1.0
69.07063	0.6
69.20150	1.8
69.49718	0.3
71.07378	5.2
73.04771	1.7
75.04477	0.5
79.05524	0.4
80.94905	0.3
81.07053	0.9
84.40054	0.3
86.09710	39.9
91.05809	2.0
93.07045	0.4
95.08613	0.5
98.63820	0.3
98.98466	3.8
104.10747	100.0
105.11073	0.4
119.30765	0.3
125.00007	24.8
135.99525	0.3
140.93909	0.3
149.04510	0.5
156.08818	0.3
167.05568	2.7
181.02663	0.3
184.07349	58.8
199.03676	0.3
225.04326	0.3
239.09560	0.4
249.96523	0.3
258.11102	1.1
266.99924	0.6
281.05276	0.4
283.03131	1.0
299.06174	5.0
300.06485	0.3
323.28049	0.4
344.97742	0.7
415.03690	0.9
518.32483	5.2
536.33496	36.7
537.33826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64576	0.2
56.05041	0.4
58.06599	0.3
60.07861	0.4
60.08167	6.0
63.56661	0.2
66.43420	0.2
67.05503	0.3
69.55370	0.6
71.07375	2.7
73.04765	0.8
79.05521	0.2
81.07071	0.4
86.09706	28.5
87.10017	0.3
91.05818	1.4
95.08616	0.3
98.98466	2.7
104.10744	3.9
107.08578	0.3
114.07348	0.3
125.00005	20.2
149.04509	0.5
165.08228	0.2
167.05591	1.7
184.07343	100.0
185.07661	0.7
225.04329	0.7
239.09651	0.2
266.99722	0.2
283.03223	0.4
299.06171	3.9
310.13257	0.2
344.97543	0.8
359.02716	0.3
404.41031	0.2
415.03595	0.6
503.11057	0.3
518.32434	1.4
536.33606	5.5
537.30634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05025	0.8
58.06593	0.5
60.08163	10.9
67.05504	1.2
71.07375	3.7
73.04760	1.6
74.80207	0.3
78.93845	0.3
79.05478	0.6
81.07051	1.0
86.09707	40.2
91.05822	2.2
92.05837	0.3
92.90847	0.3
93.07050	0.6
95.08600	0.7
98.98462	3.2
104.10742	34.6
105.07077	0.4
125.00005	23.2
138.70694	0.3
148.29677	0.3
149.04459	0.4
167.05548	2.2
184.07339	100.0
185.07793	0.4
225.04391	0.8
239.09491	0.4
258.11050	0.4
266.99994	0.8
283.03168	0.8
293.30893	0.3
299.06180	5.5
299.53983	0.3
344.97772	1.4
359.02777	0.5
392.45087	0.3
415.03793	1.0
500.31589	0.5
503.10361	0.4
518.32465	4.2
536.33533	16.3
537.33978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	31.2
57.03436	7.5
57.07077	19.3
58.62059	1.8
61.02939	4.9
62.36667	2.0
67.05506	45.9
67.33508	1.9
69.03437	2.5
69.07070	43.6
69.38035	8.6
71.04977	2.7
71.08636	11.5
72.35437	2.2
73.02894	2.3
73.04773	3.7
75.04478	3.3
79.05491	17.4
81.07059	47.0
82.81367	2.0
83.08624	37.4
85.02915	6.2
85.10184	4.3
91.03990	3.0
91.05865	10.2
91.06297	2.0
93.07043	26.6
95.08602	43.1
97.02903	2.3
97.06544	8.0
97.10169	26.8
104.10748	2.6
107.08602	18.4
109.10168	24.9
111.08098	4.3
111.11716	8.7
121.10149	47.9
123.11713	7.0
125.13260	3.2
130.70419	2.1
135.11703	36.7
137.13251	2.9
139.11157	4.2
145.04988	2.3
149.13242	11.5
151.14821	6.2
153.12733	4.7
163.14828	4.5
165.16325	3.1
167.05539	8.5
167.14261	2.5
177.16376	5.6
184.07288	2.1
191.17929	2.8
205.19688	2.2
225.04198	2.2
247.24226	39.1
258.07275	1.9
265.25250	100.0
266.25613	4.1
266.99802	3.0
283.03119	5.1
283.26355	18.0
299.06137	21.2
339.28925	82.2
340.28943	2.4
344.97787	3.2
348.17215	1.9
357.30045	33.2
387.09473	2.0
391.28687	2.3
415.03580	5.0
503.10867	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	536.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50734	1.8
55.01875	2.8
55.05515	19.5
57.03428	4.1
57.07084	13.4
60.08131	9.4
60.57343	2.1
61.02898	2.4
67.05499	28.3
69.06718	2.8
69.07062	34.1
69.32874	3.6
69.33272	6.7
70.21435	1.9
71.07333	5.9
71.08595	6.7
71.64050	2.2
73.04726	6.9
75.04439	2.8
79.05470	10.3
81.07056	28.4
83.08615	22.1
85.02881	3.6
85.10152	4.2
86.09705	30.6
91.05803	11.9
92.18847	1.9
93.07037	17.5
95.08605	31.1
97.06479	4.4
97.10176	17.5
104.10118	3.1
104.10741	51.0
106.33720	2.1
107.08607	14.3
109.10150	15.9
111.08048	3.5
111.11668	6.8
121.10160	27.9
123.11669	3.7
124.99976	16.0
125.09629	3.3
130.52379	2.3
135.11688	16.2
137.13182	2.4
141.85855	2.1
149.04407	2.2
149.13208	9.1
155.14072	2.0
159.01161	1.9
163.14798	4.1
165.16322	3.4
167.05562	13.2
177.16396	3.5
184.07341	55.8
225.04211	5.0
239.09459	3.1
247.07222	2.2
247.24225	25.5
247.26657	3.5
265.22525	3.5
265.25253	64.4
266.99835	2.5
283.02872	4.0
283.26123	9.2
299.06152	26.8
300.05969	3.4
315.18945	4.1
339.28925	64.5
344.97180	6.9
354.90469	2.3
357.26111	2.5
357.29926	20.2
388.13071	2.3
415.03268	3.5
518.35931	5.7
536.32996	100.0
537.33093	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	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	6.7
69.64169	6.9
73.04758	3.2
73.92765	1.7
82.48172	1.8
86.09713	26.0
91.05795	6.6
98.23528	2.0
103.05479	6.4
103.54086	1.9
120.08108	100.0
143.46394	1.9
145.89618	1.8
150.84128	2.0
167.05504	6.0
174.09203	5.5
175.09908	4.9
187.10017	2.9
188.10670	10.1
202.08548	9.9
203.11856	11.2
214.08612	2.9
231.06569	3.3
231.11246	17.1
232.09669	5.5
248.09183	6.8
249.12354	29.8
259.10974	2.2
260.09262	3.2
277.11841	16.5
283.03030	2.5
299.06128	10.2
300.06342	12.6
390.20148	3.2
396.19104	35.2
416.03671	2.7
424.18637	55.4
493.28000	2.7
519.26404	2.2
537.27155	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60783	1.3
91.91419	0.3
94.95469	0.3
98.23441	0.6
101.02909	0.3
185.04221	0.8
203.05276	1.0
259.07892	0.8
301.20172	0.4
438.34781	0.3
451.03815	0.4
537.30322	100.0
538.30688	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	537.3032
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
56.13141	0.4
56.83692	0.4
58.67094	0.4
61.44127	0.4
66.76814	0.4
69.19381	2.0
74.95202	0.4
89.35406	0.4
93.22866	0.4
117.38604	0.4
144.75687	0.3
164.40102	0.4
180.56009	0.4
224.24480	0.4
227.59276	0.4
228.70097	0.4
252.99409	0.4
269.72299	0.4
314.10614	0.4
512.18054	0.4
536.80688	0.5
537.30322	100.0
538.30658	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	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.40415	0.5
55.01865	1.2
55.05503	0.6
57.03434	0.8
59.78336	0.4
60.57954	0.5
61.02919	1.2
65.03918	1.2
69.03418	1.6
69.07047	0.4
73.04754	1.0
79.05500	0.5
81.03414	1.4
81.07073	0.8
85.02901	7.7
91.03945	0.5
91.05418	0.5
91.05849	0.5
93.03400	0.8
94.04199	1.4
97.02895	2.7
98.22607	1.0
100.11258	2.2
103.05467	1.7
106.60976	0.4
107.04916	0.9
109.06499	1.0
111.04426	1.4
115.05462	4.5
117.07005	1.6
122.03644	3.4
123.04420	0.6
125.05994	1.7
127.03925	1.7
128.06204	1.2
129.06999	4.0
131.04915	3.5
137.05965	78.4
138.06325	0.6
140.62936	0.5
142.08632	0.5
143.04915	10.1
144.05704	1.4
145.04953	2.0
145.06483	1.6
146.03587	0.7
149.05942	1.0
151.03897	0.9
153.05434	3.1
157.06479	4.6
160.05179	11.7
161.05981	3.2
163.07515	2.6
167.05608	1.0
169.05034	0.5
172.05139	1.9
172.06647	0.4
173.05974	0.5
174.06773	1.9
175.07533	100.0
176.07843	1.5
177.67456	0.6
180.08670	1.3
185.05975	0.5
187.07527	32.9
188.07935	0.9
189.09094	7.4
195.61945	0.5
203.08600	1.4
205.08591	22.8
210.14923	1.1
211.07516	1.2
217.08617	3.7
219.08072	1.9
220.08768	0.7
227.07033	0.6
231.08034	1.5
235.09630	20.8
239.07021	1.2
247.07565	1.2
248.08308	1.4
251.10591	1.2
255.06487	0.6
259.07516	0.8
261.09076	0.4
263.10632	2.0
270.08884	2.0
271.09689	2.7
276.07779	1.0
279.10226	2.5
283.09781	0.5
291.10162	5.8
297.11096	0.5
299.06094	1.0
301.05920	0.9
308.10135	0.5
311.12643	3.8
323.12817	5.5
341.13843	8.2
348.24933	0.9
376.24615	1.0
428.41000	0.5
432.67075	0.6
538.33667	3.6
538.42230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45470	0.8
55.01868	1.1
55.05506	1.6
57.03429	2.2
58.06579	1.9
61.02925	1.0
62.60549	0.7
67.05503	1.8
69.03433	4.8
69.07069	1.6
69.77773	1.9
70.06596	4.3
71.04977	1.0
72.08155	9.9
79.05491	2.3
81.03422	3.0
81.07064	4.6
81.30821	0.7
83.08624	0.8
83.48183	0.8
84.04526	1.0
84.08125	2.0
85.02902	13.6
86.03248	1.2
86.09709	6.4
87.04445	1.1
91.05460	5.4
93.07041	2.1
94.04195	2.2
95.04955	2.1
95.08601	2.4
97.02895	4.6
98.09688	5.2
98.22657	0.9
99.04427	4.7
100.07571	0.9
103.03965	4.6
103.05440	2.3
105.07016	4.9
107.04934	2.1
107.08607	1.2
109.02892	2.7
109.06501	2.3
109.10143	1.0
110.09683	1.2
113.02362	7.5
115.03860	0.8
115.05460	2.1
117.07003	1.9
119.04963	1.3
119.08575	2.6
120.08095	2.9
121.06496	1.7
121.10146	1.4
122.03661	4.3
127.03923	8.8
128.04237	0.9
128.10744	1.5
129.07016	1.7
131.04976	1.7
131.08643	1.0
133.06485	4.1
133.10120	1.7
137.05980	100.0
145.04942	5.0
145.06462	2.0
147.04393	1.9
147.06958	0.8
147.08049	2.1
149.05975	4.5
156.13899	2.0
159.08008	1.2
161.05974	13.5
162.06721	1.5
163.04004	0.8
163.06027	3.6
163.07451	0.9
165.06868	0.9
173.05916	1.4
175.07547	22.0
179.07027	1.0
179.10614	2.0
187.07562	5.5
191.08546	2.6
193.08560	3.8
197.11745	3.1
199.07594	2.3
203.08540	1.6
205.08563	2.5
207.08057	3.1
208.08803	1.6
217.08630	1.3
218.07307	1.3
219.08095	6.2
227.16313	0.9
235.07635	4.1
236.08183	0.9
243.13466	0.8
247.07600	3.2
248.08426	1.3
251.10658	9.7
253.08565	3.0
259.07578	1.2
263.07056	9.3
263.10675	1.5
264.07770	1.2
277.08609	1.4
279.10123	8.8
281.08115	8.5
291.06546	2.3
291.10175	4.9
292.10648	1.1
307.10220	1.0
309.07556	10.1
309.10901	1.6
311.12766	23.3
311.16357	1.3
323.12811	8.3
329.13876	4.3
340.28387	1.3
341.10098	6.3
341.13919	7.6
358.29480	2.1
375.29617	1.1
376.30563	1.9
520.34833	20.9
537.34308	1.2
538.30066	2.0
538.36505	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	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41723	0.6
53.03945	0.7
53.63754	0.6
55.01872	1.7
55.38744	0.6
55.87697	0.5
56.05027	1.2
57.03442	1.4
61.02922	1.8
69.03428	4.2
70.06585	0.8
70.62281	1.0
71.04993	1.0
73.04759	0.7
79.05490	1.6
81.03430	1.7
81.07041	0.7
85.02904	11.8
86.09719	0.8
87.04433	0.7
91.03940	0.7
91.05429	4.5
91.23993	0.6
94.04197	2.2
97.02888	3.2
99.04466	0.9
100.11302	0.6
103.05473	8.0
104.05315	2.3
105.07027	4.2
107.04953	1.9
107.89563	0.6
109.06541	1.4
111.04470	0.7
115.05447	4.2
117.07038	1.9
119.08568	4.8
122.03618	5.5
127.03918	1.9
128.06155	1.4
129.07042	3.8
131.04927	14.8
132.05730	4.2
133.06497	3.4
137.05978	100.0
138.06360	1.3
141.07010	1.2
143.04935	1.5
145.04962	2.1
145.06508	1.4
146.03624	0.8
147.08034	6.1
149.06009	2.2
149.07289	0.7
155.04919	1.0
157.06532	2.3
159.08078	1.9
160.05243	5.3
161.05968	9.3
163.07545	23.1
167.05629	1.5
174.79092	0.7
175.07544	80.7
176.07944	1.0
184.05194	0.7
187.07526	10.6
189.09090	1.8
191.08545	3.6
193.08565	5.4
199.07555	5.5
201.09143	1.8
202.07835	1.2
203.08522	3.0
205.08521	4.0
217.08527	1.4
218.07254	1.7
219.08070	5.4
220.08702	0.6
231.08060	3.8
232.08620	0.8
235.09451	3.1
236.08299	1.3
247.07628	3.1
248.08313	2.3
249.09065	0.8
251.10681	7.9
259.07578	3.3
260.08304	1.1
260.10770	1.5
261.09128	1.3
263.10681	2.4
264.07663	1.0
265.08698	0.8
276.07834	0.9
277.08759	1.4
279.10156	7.2
280.10455	0.6
281.08182	1.0
291.10187	6.3
292.10709	1.0
295.13354	1.1
296.10489	0.8
299.06122	1.2
301.05923	2.3
308.10260	0.7
309.11249	1.1
311.09305	1.4
311.12766	22.5
323.12793	15.4
325.14365	3.4
329.14041	0.8
341.13669	3.4
417.02417	0.7
441.35907	0.7
538.25885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.05024	1.2
57.05809	0.6
63.45148	0.3
69.06705	0.5
69.07065	7.0
69.91416	0.9
70.07366	0.3
72.08153	9.4
72.47295	0.3
73.76534	0.3
75.05602	2.5
81.04533	0.4
82.05347	0.4
83.06104	3.3
86.06072	3.7
86.09703	100.0
87.10022	0.8
91.05828	0.7
93.04537	2.3
95.06086	3.5
98.22768	0.6
110.07160	63.5
111.07494	0.6
112.71379	0.3
114.05529	10.3
125.11868	0.3
136.07590	0.6
143.11795	11.1
156.07681	74.0
164.11864	0.9
166.06175	1.4
167.05521	0.7
171.07657	3.9
171.11295	0.5
209.13953	1.0
220.10780	0.7
237.13477	2.8
238.15501	1.1
243.08936	0.4
255.14516	19.5
256.16583	7.5
284.16043	19.3
299.06204	0.6
301.05939	0.6
368.23044	0.4
376.24979	0.4
377.14618	0.7
383.22852	4.9
425.24826	1.8
478.93018	0.3
492.29575	0.5
520.28638	2.2
538.29858	42.4
539.30249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88647	0.5
66.92615	0.6
69.03415	1.4
70.06606	1.3
70.60861	0.6
71.04992	1.1
71.45570	0.7
73.04767	0.7
79.05471	0.8
81.07059	0.7
82.06560	1.3
84.08144	1.7
85.02895	0.8
85.08938	0.6
91.05825	0.8
93.07038	0.8
95.08603	0.6
96.08132	4.2
97.02891	0.8
120.08107	2.0
122.09682	2.7
123.04424	4.8
127.93026	0.7
136.11214	0.9
138.12764	7.7
147.04407	0.7
148.11317	0.6
149.06013	3.5
154.12299	6.1
167.05553	1.8
167.06964	1.2
167.13089	0.9
168.13809	1.6
168.28577	0.8
180.13829	8.5
182.15431	0.7
194.15340	1.1
197.11787	1.1
238.18022	4.9
252.19589	11.5
299.06302	1.2
301.06030	1.7
330.20602	9.5
358.23831	2.4
375.44690	0.8
376.24820	26.1
377.25217	0.8
538.30090	100.0
539.30243	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	538.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	1.3
55.05449	1.5
57.03380	1.6
57.05751	0.7
58.06536	1.5
58.06784	0.7
61.02872	1.2
65.03822	0.6
66.06442	0.6
67.05427	2.8
67.78149	0.6
67.98795	0.6
69.03340	5.5
69.06987	2.0
69.07326	0.8
69.41188	2.8
70.06536	1.2
71.04929	1.0
72.08067	15.6
73.02855	0.9
73.04682	1.4
79.05430	1.5
81.03360	1.5
81.06960	7.7
83.04888	3.8
83.08540	1.7
85.02807	6.9
85.06451	2.9
86.09591	0.7
87.04417	0.7
91.05466	14.5
91.43098	0.6
93.06951	1.9
95.04880	0.8
95.08515	2.8
95.09098	1.0
97.02797	2.2
97.06472	1.2
97.10068	1.8
99.04375	1.0
99.07979	2.8
100.11203	0.7
105.07050	3.2
107.08480	1.8
109.02792	0.9
109.06519	4.5
109.10043	1.3
111.04345	2.7
111.11673	0.9
112.11172	0.6
113.05983	0.6
114.09159	6.9
117.07027	7.3
117.21770	0.5
119.08556	1.3
121.06435	0.7
121.10072	1.2
123.11710	6.1
127.03832	1.2
127.07559	5.3
128.10620	1.9
129.06911	2.3
131.08568	14.3
131.09483	0.5
133.10004	0.7
135.11575	0.9
139.07480	1.5
139.11113	1.1
141.06877	1.0
143.08511	1.5
145.04785	0.7
145.10019	2.5
149.13150	0.9
154.12172	2.3
155.08432	0.9
156.09116	0.7
156.10205	8.7
157.12160	1.1
167.05449	0.9
169.10069	1.9
172.13342	11.4
211.14674	0.9
268.99817	0.6
293.24686	0.8
299.05945	1.5
300.06342	0.8
301.05923	2.3
305.24750	2.7
313.21570	1.4
323.25763	5.1
340.26434	1.2
341.26746	1.7
358.27402	19.0
376.28470	100.0
377.29080	3.4
480.05109	0.7
538.33826	32.0
539.34351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78437	0.5
50.85284	0.6
53.03938	1.2
55.01858	2.3
55.05507	4.2
56.05032	4.2
57.03439	4.2
58.06597	6.6
59.04996	1.0
61.02905	2.2
61.18452	0.6
65.03925	0.7
67.05505	7.0
69.03434	9.4
69.07054	3.7
70.06283	0.6
70.06594	6.4
70.26959	0.8
70.27289	0.8
71.01338	0.6
71.04993	5.7
71.07365	0.8
72.08154	38.8
73.02904	1.9
73.08489	0.8
76.02223	1.9
78.01798	1.7
79.05503	3.6
81.03409	4.4
81.07063	7.3
82.06573	0.8
83.04981	1.4
83.08601	3.6
84.04505	1.5
84.08128	5.4
85.02909	17.6
85.06539	3.0
85.08928	0.7
86.06068	1.8
86.09714	7.5
87.04449	2.8
91.03943	0.8
91.05460	4.0
93.07047	6.4
95.04971	7.3
95.08610	5.6
97.02896	6.7
97.06532	2.1
98.09692	97.2
99.04451	1.9
99.08078	0.7
100.07612	2.9
100.11226	1.0
101.08395	2.2
102.05548	0.7
102.09214	4.9
103.03951	1.0
105.07027	2.7
107.04971	0.7
107.08575	2.9
108.08089	1.0
109.02863	2.5
109.06515	3.6
109.10146	1.7
110.07129	1.3
110.09686	1.6
111.08076	7.6
112.11232	0.7
113.02365	3.1
113.05996	1.3
114.09167	2.7
117.07066	0.7
118.64205	0.6
119.08590	1.7
120.08096	4.0
121.10148	2.5
124.11232	1.8
126.09154	0.6
127.03912	4.6
128.10719	1.8
129.09097	1.5
129.10248	0.9
130.82779	0.6
131.08560	1.1
133.10144	2.1
135.11725	1.2
136.07513	1.2
138.12761	1.5
140.10715	0.9
142.12280	2.2
143.11783	0.8
145.04947	1.1
145.10121	0.9
147.11656	1.3
148.03957	1.0
149.04420	0.7
149.13281	1.6
156.13835	94.8
157.14163	1.1
158.11749	2.2
159.11691	0.7
161.09454	0.8
161.13202	1.0
164.01782	0.8
167.05562	1.2
167.14383	0.7
168.17538	0.9
172.03909	0.9
172.13275	0.6
174.14952	1.4
179.04901	1.1
181.04335	1.1
182.15355	0.8
185.15363	0.8
204.06612	1.6
205.06877	1.8
211.13271	1.1
229.08577	1.2
263.07089	1.2
281.08194	1.3
291.06601	0.6
293.43665	0.6
296.25748	0.9
299.06308	1.1
300.06470	0.7
301.06039	1.3
301.11893	0.7
302.12332	1.3
304.26151	0.7
308.09219	0.6
309.07312	1.0
310.08902	1.8
310.17737	0.6
311.09149	0.7
322.27356	2.0
340.28552	6.4
341.10004	0.9
343.13019	1.0
344.12921	1.0
358.29462	12.3
374.28757	0.9
375.29318	1.2
376.30484	12.6
377.30826	0.7
392.69214	0.7
484.12210	0.8
502.12915	0.9
502.33838	2.7
520.34833	100.0
521.35419	3.1
538.36041	62.3
538.43268	2.8
539.36212	2.1
542.85156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03627	0.4
60.05643	1.1
70.06590	2.9
79.94681	0.4
83.00971	0.8
89.02011	0.4
96.65329	0.5
101.02018	0.7
112.03561	1.1
116.07059	0.7
118.04656	0.4
119.01905	0.7
130.04633	0.7
131.01875	0.6
137.06830	0.5
138.05225	0.7
142.08295	2.2
151.08307	0.5
153.03998	0.4
153.09857	0.8
154.08252	1.2
155.06612	1.0
160.09360	0.9
161.02953	0.5
168.06198	1.2
169.09355	6.5
171.10902	20.1
172.09315	3.6
172.10785	0.4
172.11122	0.4
173.02982	0.9
173.07724	3.9
173.09096	0.7
175.11871	3.1
179.07744	0.8
179.09026	4.0
185.04277	1.2
187.10416	3.3
189.11957	15.9
197.07573	3.3
197.08905	6.3
197.10167	4.7
198.07214	1.8
203.05229	4.1
209.07690	8.9
211.09221	0.6
215.09895	87.1
216.08302	5.2
216.10095	2.2
223.09192	0.7
225.07210	1.0
225.10800	1.3
227.06738	0.5
227.08681	2.8
233.10939	34.1
234.11168	0.8
238.11469	1.4
239.09903	14.0
245.05072	1.7
251.09958	6.6
257.10931	100.0
258.11240	2.6
269.10974	4.7
275.12018	8.8
281.10956	3.5
287.11996	9.4
293.10941	2.8
299.11557	0.6
301.13553	0.9
305.12943	1.3
311.12006	3.8
317.13028	23.8
318.13181	0.7
323.11890	1.2
329.13031	1.5
341.12991	2.6
359.14053	18.1
360.14224	0.5
365.10522	14.5
365.15012	1.0
377.15164	7.0
533.74463	0.5
539.20331	4.3
540.20618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01860	0.4
55.05513	1.9
56.05014	0.9
57.03436	2.3
60.22062	0.3
67.05502	2.9
69.03416	1.1
69.07071	3.1
69.73507	1.1
70.02170	0.3
70.06587	2.4
71.04979	0.6
72.04485	0.4
72.08154	3.1
79.05493	3.3
81.03402	0.7
81.07062	5.6
84.08153	0.7
85.02913	2.4
85.06548	0.7
86.09686	0.8
86.72295	0.3
91.04935	0.7
91.05473	8.8
93.07048	4.2
95.04963	0.8
95.08605	6.0
95.29223	0.3
95.98306	0.3
96.08199	0.4
97.02878	1.1
97.06532	2.2
98.09689	8.9
99.04409	0.6
99.08102	1.8
103.03940	0.5
105.07028	5.2
107.04932	1.2
107.08594	4.7
109.02855	0.5
109.06515	0.6
109.10138	0.6
110.07137	0.6
111.08064	0.8
113.09632	1.1
115.05442	1.1
117.07017	9.6
119.08583	3.1
120.08091	0.7
121.06491	0.4
121.10139	1.6
123.04417	0.4
123.08032	0.4
123.11674	1.2
125.09608	0.7
127.03886	1.0
128.06204	0.7
129.07007	3.9
131.08571	2.7
133.09180	0.5
133.10132	5.7
135.11700	3.4
137.09659	0.6
141.06952	1.0
142.12257	3.3
143.08582	2.6
145.10127	1.2
147.11668	0.9
149.13220	0.8
156.13802	1.4
157.10100	1.0
157.91246	0.4
159.08054	0.5
167.08594	0.5
169.10107	0.4
169.66992	0.4
175.14828	1.4
177.09117	0.6
185.04224	0.8
185.13243	0.6
196.68074	0.4
203.05305	2.2
227.05182	0.4
233.15364	0.4
245.06329	0.4
257.06161	0.8
268.74866	0.3
285.09418	7.7
287.07404	6.8
305.24612	0.6
323.25760	0.5
329.08447	1.2
334.63605	0.5
342.28064	1.7
345.07983	0.7
347.09479	100.0
348.09869	1.2
359.27927	0.5
360.28940	12.2
376.24530	0.9
376.28760	0.5
377.24915	2.4
377.29291	0.6
378.30078	2.9
477.24719	0.5
521.23560	0.6
522.34497	0.6
538.33813	0.8
539.24554	53.8
539.33276	2.6
540.25830	0.9
540.35345	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
60.56768	0.4
67.05196	0.4
67.05495	2.6
69.07052	1.1
79.05483	1.7
81.07062	2.3
82.39804	0.4
91.05470	1.5
93.07031	1.8
95.04955	0.7
95.08598	0.9
98.22667	1.4
105.07002	1.6
107.08572	1.2
117.06977	0.6
119.08597	1.0
121.10115	0.7
127.03217	0.6
129.07022	0.6
131.08601	1.0
133.10086	0.8
141.06955	0.5
143.08536	0.8
145.10167	1.1
145.54964	0.4
155.08563	0.8
157.10223	0.6
158.92102	0.5
169.10124	1.1
171.11676	0.9
181.10089	1.2
183.11707	0.7
185.13135	0.6
195.11685	0.7
197.13219	1.3
197.64531	0.5
203.05220	1.3
209.13298	1.0
221.13158	0.5
229.24440	0.5
259.07919	0.6
341.01776	0.5
447.32562	1.3
465.33472	0.9
496.39130	0.9
521.36133	0.7
539.31714	100.0
540.31897	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01859	3.5
55.05515	4.6
55.95123	0.6
57.07063	2.3
58.99563	0.7
60.04519	0.8
61.01150	12.9
61.36721	0.6
64.53326	0.7
65.03944	1.2
67.05157	1.1
67.05502	16.4
69.07067	4.7
69.17687	4.2
71.04979	1.3
71.08645	0.8
72.04516	31.0
73.02914	1.8
78.03332	1.3
78.03790	23.7
78.30070	0.7
79.05497	16.0
81.07056	17.6
83.08623	2.0
85.06539	2.3
85.10176	0.9
86.06070	1.3
88.02211	4.4
89.06042	2.9
91.05481	8.2
93.07043	20.1
95.04976	3.8
95.08602	12.5
97.10140	1.2
98.02395	0.9
98.06094	0.6
99.05584	2.2
99.08057	0.9
102.03761	38.3
103.02161	2.9
104.63242	0.6
105.07032	6.3
107.08575	9.8
109.06484	0.7
109.10147	5.6
111.08095	0.8
112.07605	1.3
113.06007	2.9
114.03755	10.1
114.09171	0.7
115.02182	0.9
117.07005	2.8
119.08559	6.1
120.04812	5.5
121.10148	9.1
123.08030	0.6
123.11718	1.6
124.07591	2.1
125.07091	0.7
129.06995	1.0
130.08615	1.5
131.06383	16.8
131.08548	4.1
132.04782	25.4
133.08594	1.5
133.10124	5.0
135.08084	0.6
135.11668	5.9
141.04749	0.9
142.08633	9.5
145.10104	2.7
147.11658	3.4
149.07439	72.2
149.13268	3.0
152.27779	0.7
157.10167	1.4
159.05852	2.4
159.11678	2.2
161.13283	1.8
163.14835	0.8
173.13229	1.9
175.05370	0.9
175.11191	0.9
175.14780	1.6
177.11281	0.8
177.12769	1.0
184.09723	3.5
185.13251	1.0
188.92436	0.9
191.14267	0.7
199.14952	0.9
202.10809	0.7
243.11562	1.9
243.21060	0.8
261.12640	9.1
261.22171	2.2
274.38745	0.8
290.24829	1.4
297.22162	1.2
314.24850	3.7
315.23172	6.4
332.25824	22.3
391.27780	1.6
409.28809	100.0
410.28983	4.1
427.10059	0.7
427.15543	0.8
521.34082	49.2
522.34430	2.0
539.36566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01867	3.5
56.04995	1.2
57.03430	2.2
59.32483	1.3
61.02911	4.6
63.02050	1.4
63.70396	1.2
65.90498	1.6
69.03429	16.1
70.06593	15.9
71.04967	2.1
72.08161	4.3
73.02916	3.1
75.49590	1.3
79.05491	3.3
81.03424	8.1
81.03843	1.4
84.04500	1.6
84.08147	6.5
85.02901	35.1
86.09698	4.9
89.03922	3.5
91.03947	2.2
97.02892	12.0
99.00825	4.8
99.04462	1.7
107.04942	8.0
109.02866	8.3
110.07132	6.5
113.64330	1.3
117.01847	2.0
117.03390	4.9
119.06225	1.4
120.08083	2.7
122.09673	5.3
123.04438	12.7
127.03914	11.8
129.10258	3.1
135.03470	1.4
135.04407	28.1
136.05176	2.6
136.07584	2.6
137.02299	2.2
137.06044	2.5
139.03835	1.6
140.10686	10.8
145.02861	7.3
145.04985	9.2
149.05983	3.4
153.06996	2.6
163.03903	100.0
174.03973	1.5
180.08643	5.1
181.04973	39.1
181.06479	5.8
191.81866	1.3
195.08119	1.7
199.07607	4.7
205.06453	7.8
209.06035	1.4
223.07448	7.6
227.07155	2.2
233.05980	9.8
243.04942	3.2
245.08086	26.9
251.07053	24.0
261.05893	5.7
262.06256	1.5
269.08102	20.8
279.06512	48.6
297.07556	63.1
307.06009	12.3
325.07031	61.2
326.07321	1.5
343.08148	23.5
360.21811	4.4
378.22806	20.0
388.36127	1.7
431.99603	1.3
487.11935	1.8
540.27930	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77660	1.0
53.03940	2.3
55.01874	2.8
56.05025	1.1
57.03439	3.8
57.94345	0.9
58.06594	1.4
61.02926	4.4
64.34762	1.0
69.03430	12.9
69.41892	3.9
70.06591	15.0
71.04994	1.8
72.08170	2.8
73.02906	3.0
74.06086	1.3
79.05495	1.7
81.03425	6.9
82.06579	1.1
84.04497	1.3
84.08147	5.1
85.02903	31.7
86.09715	4.4
87.04450	1.8
89.03928	4.1
91.05474	1.1
94.06613	1.1
97.02898	11.8
98.22598	1.0
99.00829	4.1
99.04461	2.0
107.04966	7.7
109.02891	7.7
110.07181	6.7
110.09682	3.5
111.04388	1.1
112.08719	1.3
117.03387	5.9
120.08113	2.7
120.28487	0.9
122.09696	4.4
123.04443	12.2
127.03931	8.1
127.09975	1.8
128.10780	1.1
129.10278	1.6
135.04414	24.3
136.05219	2.6
136.07562	1.5
137.06052	1.2
139.03870	2.0
140.10687	9.0
145.02853	10.7
145.04926	8.2
149.05986	2.3
153.06978	2.8
161.06073	1.3
163.03905	100.0
177.07074	1.5
179.07059	1.3
180.08699	3.4
181.04990	40.2
181.06506	6.5
195.08182	1.5
199.07555	4.2
205.06517	7.2
207.11104	1.0
209.05972	1.5
223.07492	7.3
227.06931	4.6
233.06042	8.8
243.05055	1.3
245.08086	24.1
245.10556	1.9
251.07014	21.6
255.06653	1.2
261.05753	5.6
269.08099	17.0
279.06522	39.2
280.06934	1.2
289.04895	2.1
297.07565	56.9
307.05960	12.2
325.07068	53.3
343.08096	20.0
360.21689	5.4
361.08975	1.0
378.22781	17.3
379.55145	1.1
460.06128	1.1
522.26550	1.2
540.27966	47.6
554.17468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99299	0.8
55.01876	1.5
57.03444	0.9
64.12791	0.7
65.03943	2.3
67.05518	0.8
69.59780	3.7
70.06581	1.6
75.04479	2.6
77.03928	1.2
78.04709	2.8
79.05506	1.4
82.06618	1.2
85.02903	2.6
91.05468	10.4
91.22870	1.0
91.98409	1.1
93.03387	8.5
93.07051	4.3
93.30132	0.9
95.04958	4.5
97.06536	3.6
103.05461	4.4
105.04507	1.7
106.04173	23.0
107.04956	1.6
107.30217	0.9
108.08125	1.5
110.09679	14.4
121.06500	25.8
122.07247	1.1
123.04458	2.0
123.08051	0.9
125.05983	7.2
128.10712	49.9
131.04967	1.2
134.03636	3.4
137.05991	3.9
139.07567	2.5
148.05194	1.8
149.05978	38.3
151.07584	1.1
153.05424	1.2
153.09102	9.6
163.07489	2.1
167.07086	2.6
177.05458	21.0
181.08612	17.2
191.07065	2.4
193.08711	0.9
198.03113	1.0
209.08083	100.0
210.08588	1.0
219.10210	3.3
223.04305	6.1
378.26532	0.9
383.14508	1.0
540.23822	1.3
540.31763	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18029	1.2
65.03940	2.9
70.06605	2.1
70.08918	2.1
70.09252	1.9
75.04479	3.1
78.04697	2.7
79.05492	1.6
84.08147	1.6
85.02911	4.1
89.06081	1.4
91.05476	11.3
93.03408	9.2
93.07032	4.5
95.04963	4.7
95.07375	1.9
97.06522	5.1
103.05461	5.2
105.04536	2.4
106.04177	26.5
107.04983	2.2
108.08083	2.1
110.09679	19.2
121.06499	27.5
123.04414	2.5
125.05981	6.7
127.33314	1.1
128.10713	66.8
131.04950	2.0
133.06543	1.4
134.03629	3.6
135.04445	1.7
137.06004	5.3
139.07574	1.8
148.05183	2.0
148.38354	1.4
149.05972	41.5
151.07478	1.3
152.03497	1.1
153.05464	1.5
153.09091	13.9
160.51508	1.1
163.07497	2.9
167.07051	2.8
177.05470	24.1
181.08588	17.3
190.01006	1.2
191.07028	3.5
197.10521	1.1
202.59528	1.2
206.00511	1.3
209.08080	100.0
210.08405	1.8
219.10123	5.2
221.29373	1.0
223.04221	5.7
262.31046	1.2
378.26276	1.9
484.66226	1.2
540.31818	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
61.02921	0.5
69.03421	0.8
70.06589	0.7
70.57407	0.5
85.02906	3.4
91.05471	1.6
92.62566	0.4
97.02918	0.8
97.11653	0.4
115.05476	0.6
128.06195	1.5
128.10675	1.1
129.07001	6.6
131.04883	1.1
131.08565	6.5
137.05966	3.9
141.06989	5.4
143.08582	0.6
144.05693	0.5
145.04950	1.1
145.06519	0.9
146.07233	0.5
149.06056	0.4
151.07538	0.5
157.06483	5.0
158.07288	2.4
159.04370	0.5
159.08055	6.5
160.05193	0.8
169.06491	2.4
170.07292	1.2
173.06020	0.5
174.06767	12.0
175.07617	2.8
186.06749	3.3
187.07594	0.4
188.08183	0.7
189.09103	21.8
191.10680	2.7
201.09100	8.9
207.10149	0.8
209.08073	0.4
219.10159	100.0
220.10458	0.8
237.11307	0.8
301.52240	0.5
440.85754	0.5
540.31537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
63.42133	0.5
69.03410	1.1
69.07049	0.7
70.06566	0.7
72.08125	0.5
81.03384	0.7
81.41322	0.5
82.06527	0.7
84.08129	1.6
85.02892	2.5
91.05452	1.2
94.06551	0.7
95.08570	0.8
96.08104	1.3
97.02859	0.8
98.03320	0.5
99.11202	0.6
104.29916	0.6
110.09634	0.7
115.05434	0.8
117.06961	0.6
123.04404	1.5
127.09927	2.5
128.06190	1.3
128.10698	1.9
129.07008	5.4
130.17162	0.5
131.04901	1.5
131.08553	4.9
133.04964	0.6
133.10126	0.9
136.11186	0.6
137.05920	3.2
140.10681	2.2
141.06998	4.3
143.04860	0.7
144.10170	1.0
145.06477	1.3
146.07185	0.8
153.05461	0.9
157.06490	4.8
158.07251	2.0
159.08055	5.3
160.05208	1.1
161.05951	0.7
169.06448	3.8
170.07277	1.0
171.04408	0.9
174.06752	10.1
175.07524	3.6
175.14793	0.8
186.06757	2.4
188.08315	1.0
189.05528	1.5
189.09094	21.1
191.10643	1.9
193.15849	1.7
201.09079	8.3
206.19145	0.8
207.10078	0.7
211.16948	2.0
219.10155	100.0
220.10463	1.0
224.20120	1.1
237.11214	2.0
344.22345	0.8
357.19241	0.6
360.25211	3.1
362.23190	0.7
378.26266	10.7
540.31622	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60176	0.5
56.05042	1.0
70.04259	1.1
70.06576	2.4
78.35250	0.4
81.05759	0.4
81.07078	0.4
82.06583	1.6
84.08105	1.0
85.02892	1.5
85.86880	0.4
91.05459	1.0
93.07018	0.7
94.06584	0.4
95.07333	1.4
97.02895	0.6
97.06512	1.7
99.62159	0.4
106.04113	0.4
107.04980	0.4
108.08118	1.6
110.08965	0.8
110.09685	13.8
115.05458	0.9
118.06912	0.5
123.04398	0.8
128.06247	0.7
128.10718	73.9
129.07008	4.7
131.04927	0.9
131.08559	5.1
133.04900	0.5
137.05959	1.0
141.06992	4.1
143.05005	0.6
144.05663	0.7
145.06471	0.5
157.06506	4.7
158.07260	1.7
159.08073	5.4
161.09621	0.6
163.07562	0.7
169.06488	2.5
169.33612	0.4
170.07239	1.7
171.08014	0.7
173.06117	0.6
174.06747	10.3
175.07529	2.6
177.09088	0.5
186.06741	2.2
188.08260	0.7
189.09100	22.3
191.10666	1.6
201.09105	8.2
201.10838	0.3
203.10590	1.0
207.10184	0.6
209.08018	0.7
219.10159	100.0
220.10536	1.6
221.11826	0.5
237.11276	2.1
240.17535	0.4
254.61798	0.5
324.20041	0.5
378.26315	1.2
540.31683	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.05503	3.3
56.68702	1.3
57.03433	2.9
67.05505	10.7
68.86610	1.2
69.07056	2.0
70.00430	3.0
71.07375	3.4
77.03940	3.1
79.05480	5.7
80.94813	1.3
81.07053	9.5
82.90966	1.4
86.09708	21.2
91.05479	1.9
93.07040	7.3
95.04954	13.3
95.08604	7.7
104.10760	1.6
105.03396	100.0
105.04418	6.7
105.07045	2.1
107.08610	1.6
109.10133	3.5
116.18250	1.3
121.10170	2.1
122.20165	1.3
137.31261	1.2
140.15446	1.2
146.98175	34.2
169.59799	1.2
267.06345	1.3
318.10840	2.0
327.12250	1.6
335.25781	5.6
336.85031	1.4
337.14276	3.5
339.15546	1.8
341.17407	1.9
355.15225	1.9
357.24045	3.2
369.16888	5.6
370.17593	3.3
401.19662	11.9
417.42633	1.5
474.20148	1.9
481.23260	35.5
482.23471	1.6
505.22159	30.0
506.22223	1.6
540.30707	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62383	0.8
55.01873	1.1
55.05496	1.0
57.03434	1.5
58.06602	2.8
61.02918	2.0
67.93428	0.8
69.03429	4.7
70.06593	7.1
71.46248	1.0
72.08147	1.4
73.02907	1.9
79.05500	1.3
81.07056	2.0
84.08127	5.1
85.02899	8.3
86.09686	1.0
87.04454	3.1
88.07632	4.3
93.07040	1.9
96.08105	1.5
97.02901	4.0
98.09690	2.1
106.57224	0.9
107.04955	1.2
110.09673	2.6
111.10487	2.2
112.11253	1.5
115.03925	1.9
121.10135	1.9
123.04415	8.0
124.11246	2.9
127.03909	2.7
128.10736	2.9
133.04927	1.0
137.05946	1.2
138.12819	0.9
147.04413	1.3
149.06039	5.8
149.07022	1.0
149.83838	0.9
152.14392	1.5
165.09148	1.1
166.15909	1.4
175.07475	1.5
222.18509	1.6
229.08632	2.5
236.20131	4.4
332.22104	5.5
354.91669	0.9
360.25327	22.7
378.21677	1.9
378.26422	27.5
446.77939	1.0
474.58496	0.9
522.30554	5.9
540.31696	100.0
541.22455	2.7
541.31171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01852	0.6
56.05033	1.4
57.03423	0.4
60.60701	0.2
65.03923	0.6
67.05478	0.3
68.05019	0.5
69.03407	0.4
69.07050	0.6
69.88707	0.4
69.89041	0.4
70.06586	1.8
71.04980	0.3
75.04480	0.9
77.03896	0.2
78.04706	0.6
79.05490	1.4
81.03401	0.4
81.05787	0.3
81.07040	1.1
82.06573	2.8
82.83947	0.2
84.08124	0.9
85.02898	1.8
89.03907	0.2
91.05476	2.6
93.03400	2.1
93.07042	1.7
94.06554	0.6
95.04967	1.4
95.07330	1.5
97.02862	0.6
97.06534	3.9
103.05477	1.0
105.04462	0.4
105.07017	0.2
106.03436	0.2
106.04166	5.2
107.04970	0.3
108.08115	2.4
109.06521	0.3
110.09675	21.4
113.51617	0.2
115.05424	0.4
119.04933	0.2
121.06497	6.0
121.07323	0.4
122.22723	0.2
123.04401	1.1
123.08039	0.2
125.06003	1.3
128.10710	100.0
129.07007	2.2
129.11057	0.8
131.04901	0.7
131.08557	1.8
134.03613	0.8
135.04378	0.4
137.05952	1.4
137.54364	0.2
138.06734	0.3
139.07492	0.5
141.06976	1.5
144.05692	0.3
145.02773	0.2
145.06429	0.3
146.07195	0.2
147.04449	0.3
148.05180	0.5
149.05968	8.0
151.07524	0.5
152.08348	0.2
153.05461	0.4
153.09119	2.7
157.06494	2.0
158.07248	0.6
159.08055	2.2
160.05162	0.2
161.05969	0.4
163.03879	0.2
163.07523	0.6
166.06264	0.3
167.07022	0.6
169.06419	0.9
170.07283	0.3
173.06023	0.2
174.06764	4.2
175.07564	0.9
177.05444	4.3
180.07973	0.2
181.08589	3.9
186.06718	1.2
188.08302	0.3
189.09085	7.9
191.07047	0.6
191.10670	0.8
198.14828	0.2
201.09088	2.9
207.10155	0.3
209.08081	20.8
210.08414	0.6
219.10149	36.9
220.10463	0.7
223.04195	1.2
305.58661	0.2
311.06107	0.2
360.25330	0.3
378.26474	1.0
381.15417	0.7
540.31659	36.9
541.23669	0.2
541.32019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
58.06598	2.4
61.79247	1.1
69.03435	5.0
69.07087	1.3
70.02718	2.5
70.03082	2.4
70.06589	2.8
72.08174	1.9
73.02927	1.3
80.93132	1.1
81.03441	1.2
81.07053	2.4
82.06590	3.1
83.08601	1.2
84.08147	3.8
85.02890	6.7
94.06575	2.8
96.08119	6.2
97.02895	2.2
97.08930	1.4
98.09690	1.6
108.08142	3.3
110.09704	2.7
112.07639	2.1
114.09132	1.7
122.09705	3.9
123.04414	6.3
123.61678	1.3
127.03967	1.5
127.09937	13.9
128.10735	5.1
129.06918	1.2
135.01521	1.3
137.06017	1.3
139.03961	1.3
140.10701	13.7
141.07005	1.4
149.06046	1.5
153.05481	3.8
159.08064	1.4
174.06845	1.9
189.09108	5.2
201.09146	2.3
204.75665	1.3
206.19106	2.9
219.10162	15.4
224.20164	6.0
236.20149	1.7
254.21191	1.9
273.33487	1.3
330.20822	1.7
339.17270	1.3
344.22116	5.8
358.23657	1.3
360.25372	17.5
362.23361	2.8
363.23886	2.1
377.25580	1.7
378.26358	53.4
540.31683	100.0
541.22614	3.0
541.32184	5.5
551.02509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01885	0.4
56.05035	0.9
57.03432	1.6
58.06604	4.4
61.02931	1.4
67.05503	0.6
69.03431	4.6
69.07051	0.3
69.77496	0.5
70.06589	2.0
71.04997	0.5
71.07379	0.8
72.08157	1.2
73.02917	1.4
73.38052	0.3
79.05505	1.0
81.03419	1.7
81.07063	2.2
82.06589	0.4
84.08144	7.3
84.08656	0.4
85.02905	5.6
86.09705	0.6
87.04476	1.4
88.07634	0.4
91.03973	0.3
91.05437	0.4
91.79591	0.3
93.07037	1.5
95.08599	0.7
95.13555	0.3
96.08131	1.1
97.02886	2.1
97.06513	0.3
97.08917	0.4
98.09705	0.3
98.22748	0.5
99.04469	0.6
105.07038	0.3
107.08563	0.4
109.02898	1.1
110.07156	0.3
110.09687	2.9
111.10472	1.9
112.11225	0.5
114.09209	0.4
119.08584	0.3
121.06506	0.6
121.10162	1.3
123.04421	5.3
123.05260	0.3
124.11256	2.5
125.32065	0.3
127.03905	1.7
128.09749	0.4
128.10712	8.6
133.06552	0.3
137.05945	0.5
138.12837	0.5
145.04945	0.3
147.04439	1.1
149.05969	5.7
152.14375	0.9
163.07530	0.5
165.09129	0.9
166.15927	1.2
170.15517	0.4
174.06778	0.4
175.07611	0.8
189.09140	0.6
193.08624	0.8
209.26886	0.3
219.10161	2.2
222.18544	1.6
236.20059	2.4
240.19638	0.5
254.21222	1.0
258.84015	0.3
279.14163	0.3
301.99786	0.3
318.80746	0.3
342.24225	0.4
359.24710	0.3
360.25320	20.6
361.25665	0.4
378.26382	24.1
420.27518	0.5
455.15100	0.3
522.30652	7.8
540.31671	100.0
541.32184	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	540.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24514	0.6
52.09191	0.6
53.03962	1.3
55.01871	1.5
55.05497	2.5
57.03179	0.9
57.03440	11.9
57.24739	0.7
61.02915	3.4
62.06099	3.1
65.03938	0.9
67.05504	5.4
69.03429	12.6
69.07070	5.1
69.71294	1.4
69.71595	0.9
70.06573	3.4
71.01346	0.9
71.04992	1.9
72.08156	20.4
73.02937	1.5
74.65630	0.6
79.05488	3.4
81.03428	3.0
81.07062	10.1
82.23672	0.7
83.08624	1.2
85.02905	21.3
85.06553	1.2
87.04475	1.8
91.03944	1.8
91.05479	17.6
93.07050	3.4
95.04948	1.3
95.08613	5.6
97.02895	8.1
97.06545	4.4
98.03342	0.6
98.09705	6.6
98.22691	0.6
99.04440	1.6
99.08087	4.2
103.96298	0.6
105.07021	3.6
107.04961	0.6
107.08618	2.5
109.02876	3.0
109.10155	2.1
110.83936	0.6
111.08099	1.3
113.09645	4.1
115.05440	1.2
115.07588	1.9
117.07024	14.6
119.08600	1.4
121.10177	1.8
123.11650	0.9
127.03922	4.2
128.06317	0.8
129.07021	3.1
131.08562	22.4
135.11731	1.5
142.12256	1.5
143.08615	2.8
145.04985	2.3
145.10141	2.2
156.13843	2.1
157.10149	2.1
160.69028	0.6
171.11772	1.5
185.13286	0.9
299.23795	1.0
318.35632	0.6
344.29541	2.2
360.29111	1.7
362.30502	3.6
378.30038	30.2
379.30627	1.0
390.30133	1.0
522.34393	1.8
540.35339	100.0
541.35510	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	540.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93547	0.2
53.03932	0.4
55.01872	0.5
55.05512	1.1
56.05030	1.0
57.03438	6.5
58.06592	0.6
61.02924	1.0
65.03918	0.4
67.05504	3.0
69.03432	2.6
69.07067	3.1
69.22731	0.9
69.23151	0.5
69.72602	0.2
70.06599	0.9
71.04985	0.6
71.29221	0.2
72.04517	0.6
72.08154	5.9
73.02910	0.4
77.03952	0.3
79.05492	3.3
81.03418	0.9
81.07057	5.4
83.04987	0.4
83.08623	0.5
84.08143	0.9
85.02900	3.6
85.06536	0.4
85.08946	0.3
86.09717	0.7
87.04488	0.7
91.05479	15.6
92.05836	0.3
93.07047	1.8
93.64247	0.2
95.04964	0.6
95.08610	3.7
96.08170	0.3
97.02903	1.5
97.06512	2.5
98.09692	17.5
99.04469	0.5
99.08096	3.0
99.10021	0.4
102.09187	0.8
103.05455	0.3
105.07022	2.3
107.04940	0.5
107.08593	0.9
109.02876	0.4
109.10164	0.5
111.08118	0.3
113.09631	1.8
115.05434	1.1
115.07577	0.6
117.07017	15.3
118.07433	0.3
119.08595	0.5
121.06556	0.3
121.10141	0.5
124.11256	0.9
125.09641	0.7
127.03917	0.6
128.06226	1.1
129.07002	6.3
131.08566	5.1
133.10126	0.4
135.11717	0.6
141.06972	1.9
142.12270	8.6
142.13371	0.5
143.07491	0.2
143.08569	5.6
143.12575	0.2
145.10138	0.9
147.11681	0.4
155.08575	0.6
156.13799	0.5
157.10098	1.7
169.10097	0.5
171.11752	0.7
181.10170	0.3
183.11720	0.9
185.13232	1.3
190.68379	0.2
209.13400	0.3
243.77985	0.3
297.22403	0.3
324.26935	0.5
342.27905	6.8
350.92947	0.2
358.27295	0.3
360.28952	22.0
361.29343	0.9
378.30029	8.7
379.30267	0.3
414.30447	0.2
522.34088	1.0
540.35291	100.0
541.35638	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	540.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.4
55.01831	1.2
55.05505	2.8
55.80393	0.3
56.05030	2.4
56.77408	0.3
57.03437	7.0
57.03690	0.5
58.06563	0.5
61.02892	0.7
65.03900	0.5
65.68678	0.3
67.05507	6.0
67.05833	0.3
69.03431	3.1
69.07066	4.9
69.58663	1.3
70.06560	0.7
71.04939	1.3
72.04456	1.3
72.08152	7.0
73.02869	0.6
75.13113	0.3
79.05490	4.3
81.03378	0.8
81.07056	10.1
83.04940	0.7
83.08564	1.2
83.49548	0.3
84.08096	0.7
85.02905	5.1
85.06483	0.9
86.09650	0.3
87.04439	0.5
91.05481	23.3
91.06036	0.8
93.07049	3.9
95.04908	0.9
95.08610	7.5
95.09190	0.6
97.02890	2.5
97.06535	6.0
97.10135	0.5
98.09694	28.6
98.22765	0.7
99.04382	0.5
99.08094	5.9
102.09109	0.9
103.05413	0.6
105.04462	0.3
105.07032	3.3
105.08862	0.3
107.04904	0.8
107.08598	1.5
109.02843	0.4
109.06442	0.4
109.10161	1.4
110.09635	0.4
111.08024	1.1
112.11145	0.3
113.09657	2.5
115.05464	2.5
115.07516	0.9
116.59667	0.3
117.07016	26.5
118.07290	0.3
119.08513	1.0
121.06487	0.5
121.10088	1.3
124.11160	1.2
125.09588	1.1
127.03855	1.1
128.06207	2.2
129.07004	11.4
131.08565	7.5
133.10106	0.7
135.11594	1.1
141.06970	3.9
142.12277	11.5
143.08562	9.8
145.04912	0.3
145.10147	1.6
147.11559	0.5
149.13217	0.3
155.08485	0.9
156.13824	4.3
157.10117	2.3
158.15271	0.4
159.11699	0.4
167.08601	0.7
169.10081	1.1
171.11563	1.6
175.14798	0.3
181.10098	0.7
183.11705	1.5
185.13266	2.2
187.14775	0.4
197.13251	1.0
203.14328	0.5
209.13284	0.5
211.14857	0.6
223.14864	0.4
235.11331	0.3
297.22171	0.6
324.26984	0.4
342.27869	5.7
347.09546	0.7
348.09790	0.4
360.28955	43.6
361.29153	1.5
378.25348	0.8
378.30048	14.4
379.30447	0.5
379.60809	0.3
428.44995	0.3
522.34406	0.9
540.35333	100.0
541.35730	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	540.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03944	0.7
55.01870	1.1
55.05515	1.2
56.05031	1.4
56.45164	0.1
57.03436	6.5
58.06594	0.6
59.04994	0.2
60.71938	0.1
61.02631	0.2
61.02925	2.3
65.03948	0.2
67.05159	0.2
67.05499	2.9
69.03427	8.0
69.07067	3.2
69.22449	0.7
70.06595	0.9
71.01341	0.5
71.04994	1.4
72.04511	1.0
72.08152	5.2
72.08441	0.1
73.02914	1.6
77.03900	0.2
79.05493	2.6
81.03419	2.3
81.07053	4.3
83.01334	0.3
83.04967	0.5
83.08617	0.5
84.08136	0.5
85.02901	14.0
85.06533	0.4
85.08923	0.4
86.09690	0.3
87.04465	2.0
91.03954	0.9
91.05476	1.3
93.07043	1.7
95.04970	0.7
95.08604	3.8
95.09209	0.2
96.08196	0.2
97.02889	5.0
97.06529	4.1
97.10168	0.3
98.09689	17.1
99.04434	1.3
99.08092	2.9
99.09958	0.1
101.02364	0.5
102.09195	0.6
103.03945	0.6
103.05501	0.1
105.04540	0.2
105.07043	1.0
107.04949	14.1
107.08583	1.1
109.02874	2.0
109.06545	0.2
109.10132	1.0
110.09658	0.3
111.04440	0.2
111.08089	0.4
112.11254	0.2
113.09631	1.7
115.03945	0.3
115.07561	0.4
117.07029	0.7
119.08565	0.7
121.06508	1.2
121.10143	0.8
124.11250	0.7
125.09624	0.5
127.03911	3.4
129.06998	0.3
131.04921	0.9
131.08580	0.3
133.06487	7.9
133.10088	0.2
140.14301	0.1
142.12271	9.3
143.08594	0.2
145.04967	1.2
145.06410	1.0
147.08044	13.6
149.06026	0.2
149.09506	0.2
149.13312	0.3
157.06497	0.4
157.10159	0.1
158.15398	0.3
159.08047	1.0
161.09625	2.1
170.11739	0.3
171.08067	0.5
173.05984	0.2
173.09599	0.6
175.11172	0.4
185.09700	0.2
187.11183	0.6
199.11200	0.3
201.12723	0.5
203.14247	0.2
221.15294	0.6
227.14316	0.2
247.16812	0.2
297.22244	0.3
315.23190	0.7
342.28012	0.6
360.28961	4.1
361.07053	0.1
378.30002	13.7
379.30240	0.4
390.67249	0.1
402.30484	0.1
522.34253	2.5
540.35291	100.0
541.35681	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	540.3535
Annotation	2-thio-PAF
Peak:m/z	Relative Intensity
57.03433	2.9
61.02915	2.3
69.03419	5.3
71.46071	2.7
72.08149	5.0
81.07045	4.3
85.02889	11.1
97.02885	3.5
98.09692	15.0
107.04961	15.6
127.03899	2.4
133.06458	3.3
141.16692	2.1
142.12302	4.9
147.08038	4.1
149.68011	2.1
152.90219	2.0
158.43713	2.1
187.29498	2.1
231.72491	2.3
321.10907	2.1
360.29092	6.2
378.30270	9.9
522.34155	6.0
540.35327	100.0
542.21472	2.1
546.34766	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	540.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.1
59.04982	2.0
59.58695	2.2
67.05519	2.2
69.03433	8.4
69.23662	8.3
69.24078	4.2
70.06610	2.4
71.04980	2.3
72.08163	8.1
79.05496	4.3
81.03387	2.1
81.07075	3.9
83.65207	1.9
85.02885	12.7
87.04479	3.1
89.06065	2.0
93.07075	2.8
95.08633	4.0
97.02903	5.6
97.06529	2.9
98.09688	17.0
98.23430	4.4
99.04440	3.1
99.08065	3.1
103.12446	2.2
107.04952	15.7
127.03937	4.1
133.06496	3.7
137.67920	1.9
142.12299	7.0
147.08066	7.2
151.14848	2.4
167.74734	1.8
183.76297	2.0
205.77208	1.9
229.17963	3.8
237.71254	2.0
296.61081	2.4
360.28854	3.6
378.26044	3.5
378.30014	9.9
522.34485	3.4
539.85272	3.9
540.35358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14518	1.7
54.62238	1.6
55.05510	16.8
57.03436	12.2
57.07077	3.5
59.04994	5.3
65.03950	1.9
67.05503	100.0
69.07068	6.4
70.01536	5.2
71.05001	5.1
74.51151	1.7
79.05492	26.7
81.07061	30.7
83.08617	9.6
85.06546	3.1
87.63791	1.8
91.05477	38.9
93.07037	34.7
95.04958	2.3
95.08606	20.3
99.08076	3.0
105.07027	34.8
107.08607	17.3
109.10156	74.0
111.08083	4.4
117.06987	9.9
119.08583	33.4
121.10122	13.1
123.08062	2.0
129.07054	5.8
131.08556	11.5
131.62190	2.0
133.10115	26.4
135.10776	2.0
135.11665	11.5
137.09651	4.3
143.08568	5.5
145.10147	10.2
147.11682	25.8
149.13220	6.3
155.10680	7.9
157.10135	5.7
159.11719	9.6
161.13225	16.7
163.14807	1.9
164.95912	2.1
171.11699	8.3
173.11751	21.7
173.13272	8.1
175.14806	8.0
185.13268	6.9
187.14877	2.1
189.11256	2.4
199.14937	3.1
213.16486	1.9
227.12814	6.1
229.14336	72.2
231.21135	3.8
241.19537	25.7
259.20575	61.3
315.23236	4.5
333.24277	43.6
333.27853	1.7
395.29254	2.9
487.34116	18.0
498.80515	1.9
505.35114	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	540.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.05511	42.2
57.03429	11.9
57.07081	14.9
57.58085	1.9
59.47023	2.0
67.05506	45.8
69.03419	7.1
69.07071	17.3
69.22611	13.8
70.06589	7.6
71.08634	5.8
72.59112	2.2
77.16841	2.0
79.05496	29.7
81.07055	35.4
83.08612	24.7
85.06577	4.3
85.10197	3.3
88.07619	10.6
88.85224	2.3
89.06055	7.0
89.40133	2.2
91.05502	12.2
93.07047	26.3
95.04982	5.0
95.08602	22.3
97.10174	43.3
101.34395	2.2
102.09177	7.6
104.10768	2.6
105.07021	6.3
107.08603	24.3
109.10179	9.9
119.08596	5.5
121.10156	8.3
123.11720	8.9
125.09628	39.8
131.08575	4.9
133.08624	8.3
133.10193	3.5
135.08014	3.2
135.11658	10.4
145.10173	3.5
149.13306	2.6
162.58109	2.2
163.14870	3.0
169.12263	2.9
171.10217	4.0
177.16350	2.6
187.14923	2.8
189.11226	40.4
189.12782	2.5
227.12770	63.3
243.21086	3.4
245.13838	84.8
256.26328	26.8
261.22116	14.9
284.29550	3.2
311.29434	26.5
317.24728	2.7
329.30402	2.6
335.25800	89.1
423.97272	2.5
487.34604	2.6
505.35254	40.5
540.53516	100.0
541.54224	2.7
542.09827	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	540.9886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	6.3
57.57742	0.6
69.78674	1.2
69.79024	1.4
97.02872	0.8
98.22701	0.7
98.97579	74.0
115.80648	0.7
116.98621	45.6
134.99641	14.7
142.65192	0.8
153.00703	1.4
170.67917	0.7
172.94278	2.5
177.00925	0.8
190.95372	2.3
208.96445	1.0
214.95381	3.6
219.01994	1.3
232.96460	7.0
240.98883	2.1
250.97522	4.0
256.93750	1.3
256.96405	17.0
258.99777	10.1
261.00067	0.9
261.03006	3.5
262.03226	1.5
263.02887	1.8
272.94284	0.9
274.97504	100.0
275.97964	1.4
276.97852	1.1
277.00790	10.8
278.01224	1.1
279.00583	1.0
283.00067	3.9
284.00095	2.1
284.99936	1.7
285.99689	0.7
290.95642	1.0
292.98544	54.8
297.99121	1.5
298.97766	2.0
301.00998	4.9
302.01154	1.6
303.00848	2.8
304.00916	0.8
305.00555	0.8
314.95728	0.8
316.00305	0.7
316.98700	4.0
332.96548	1.8
370.91452	1.2
371.91544	1.2
374.98050	1.9
383.00031	1.1
396.94727	1.3
398.97672	23.8
399.98083	1.0
401.01010	3.8
410.89130	0.9
411.89276	0.8
416.98700	52.5
417.98816	2.0
432.96228	0.8
434.99762	8.3
440.00421	1.6
443.02151	0.9
444.02374	1.4
445.02081	1.5
446.02005	0.7
456.96661	1.6
517.88660	2.2
518.91315	1.1
534.89240	0.9
535.89630	4.1
536.91095	1.0
540.98926	24.6
541.99042	1.7
549.93176	0.9
553.89960	0.9
558.87378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1895
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
52.96772	0.1
57.28210	0.1
59.91707	0.2
68.60245	0.1
70.04900	0.2
70.05258	0.4
70.06589	0.2
72.08110	0.2
82.03954	0.1
83.01102	0.2
84.01861	0.2
85.02884	0.2
95.01098	0.6
96.01891	0.2
98.22807	0.2
100.11285	0.2
106.48508	0.2
112.01377	0.4
113.02122	0.6
114.09119	0.2
128.10712	0.2
141.05244	0.4
157.04778	0.2
169.04741	0.8
176.04504	0.2
185.04211	1.6
201.03650	0.6
201.05344	0.7
203.05266	2.1
216.07562	5.2
217.08281	1.0
245.06323	2.0
257.06348	0.2
259.05728	0.2
259.07944	1.5
275.07416	0.4
287.07397	0.5
289.08994	0.2
299.08987	0.2
301.08795	0.2
303.10318	0.2
305.08502	0.3
319.09988	0.2
331.09808	1.0
347.09473	8.0
379.13419	0.7
379.26511	0.2
384.87283	0.1
470.13760	0.4
510.17062	0.3
541.18896	100.0
542.19189	3.6
542.32983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43405	0.2
56.71404	0.2
64.87002	0.2
69.21275	1.3
73.43079	0.3
73.86980	0.2
80.23421	0.2
81.07040	0.2
91.72696	0.2
109.48827	0.2
114.81345	0.3
185.04247	0.3
191.06526	0.3
222.46822	0.3
242.73004	0.3
311.29352	0.3
398.75534	0.3
424.83081	0.3
540.53693	0.6
541.33484	100.0
542.33783	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	541.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24668	0.5
60.69036	0.5
60.84298	0.6
66.28644	0.5
67.05488	0.9
69.29057	2.6
81.07045	0.7
86.69549	0.5
98.23425	1.3
203.05309	0.8
224.12958	0.6
540.54205	0.7
541.33472	100.0
542.34021	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	541.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.5
57.07062	21.0
67.05495	24.9
69.07069	11.9
70.06568	13.4
71.08629	9.7
72.04505	17.7
76.18609	5.0
78.03790	10.9
79.05507	7.4
81.07054	17.9
88.02257	8.2
88.07616	22.1
95.08610	22.1
95.67855	6.1
102.03767	21.1
102.09167	16.0
103.94585	6.0
131.06380	8.3
132.04755	6.8
148.21698	5.9
149.07401	46.9
153.57663	5.9
165.68185	6.0
187.46028	5.9
206.98370	5.5
217.73813	6.1
256.26346	38.3
257.26727	9.6
261.12775	8.5
284.29523	8.1
311.29413	36.9
312.29724	20.2
334.27347	26.1
411.30374	85.4
415.42453	6.8
456.65527	6.8
523.35553	38.6
540.53613	100.0
541.53748	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.05034	1.8
58.06592	4.9
61.02919	2.9
69.03419	7.2
69.86748	1.6
69.87071	3.8
70.06582	4.5
72.08148	2.2
73.02920	1.7
81.03427	3.0
81.07039	2.3
81.36953	1.6
84.08139	9.2
85.02898	9.7
85.08479	2.7
87.04451	2.3
91.05475	5.6
96.08144	2.4
97.02894	5.3
103.05463	25.3
107.04990	2.2
110.09677	3.5
111.10487	1.6
119.04974	7.4
121.06497	1.8
123.04428	10.3
124.11271	2.7
127.03979	1.9
128.10718	11.0
129.11072	1.4
131.04916	55.7
131.05888	3.0
133.02821	12.2
137.05968	21.0
147.04404	23.4
149.05978	27.3
157.06380	1.5
161.05927	3.3
162.06783	5.0
163.07544	21.0
165.05484	4.8
173.06058	4.6
177.05437	13.0
179.07060	5.8
185.06027	4.1
215.62479	1.8
236.20107	2.6
277.08667	2.4
297.11252	3.3
309.11185	3.1
327.12265	4.1
344.25824	3.6
360.25220	3.7
361.25571	9.5
362.26376	10.9
378.26266	2.2
379.26627	8.8
380.27313	11.7
523.31244	1.9
524.31879	9.8
541.32007	33.9
542.32660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47081	1.3
57.98744	1.3
58.06571	2.2
58.38345	1.3
61.02909	1.6
66.87736	1.3
69.03428	3.8
70.06584	2.4
70.09909	4.1
72.08129	2.4
73.02943	1.3
81.64868	1.2
85.02905	7.9
91.05476	12.5
91.59558	1.7
95.04970	3.3
97.02905	3.1
103.05467	43.2
109.02884	2.1
110.09676	2.2
115.05405	1.8
119.04932	17.2
121.06504	5.8
123.04420	3.4
128.10725	1.8
129.06993	3.5
131.04926	100.0
133.02853	28.0
133.06459	3.5
135.04407	2.1
137.05978	48.9
143.40416	1.4
145.06482	3.3
147.04404	53.5
149.05972	50.1
150.06779	4.6
151.07513	1.8
153.05504	1.7
157.06583	1.9
159.04430	1.5
161.05977	6.3
162.06734	10.5
163.07549	37.4
165.05502	12.2
173.05960	6.0
174.46976	1.4
177.05461	24.9
178.06273	2.2
179.07002	12.7
185.05972	9.2
189.62556	1.4
191.07013	2.7
195.42131	1.5
199.67252	1.3
203.07024	4.8
219.08130	1.5
277.08603	5.8
282.42453	1.5
295.09521	2.8
297.11227	6.8
309.11139	3.9
327.12283	8.2
337.99820	1.5
347.47672	1.5
362.26382	3.0
362.53226	1.4
380.27255	2.1
400.59088	1.6
541.32001	3.0
542.23383	2.7
542.32813	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	542.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.8
65.03918	0.8
69.03428	1.5
70.06586	3.0
81.03421	1.3
84.08189	0.9
85.02915	5.6
86.09676	1.1
91.05486	3.4
92.46951	0.9
97.02903	1.4
97.07675	0.8
98.97618	2.1
103.05466	44.7
105.07045	2.1
110.97572	1.6
114.09159	0.9
116.98741	0.9
119.04938	4.8
121.06469	1.1
123.04459	1.6
128.10722	1.4
128.98569	1.0
131.04929	100.0
132.05266	1.0
133.02869	1.1
133.06508	2.7
137.05980	10.7
147.04434	13.7
149.05984	34.0
150.06761	0.9
161.05980	1.5
162.06787	1.4
163.07542	53.3
170.99635	1.2
173.05927	1.7
177.05470	2.5
179.06999	1.4
180.20375	0.9
185.05991	2.5
189.00720	2.1
203.07040	1.1
249.02699	1.1
273.28308	0.8
277.08469	1.1
291.03827	3.3
297.11261	2.5
309.04813	1.1
309.11356	1.5
344.26001	1.1
351.05759	1.9
363.07364	1.4
542.33990	5.9
543.16968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05514	0.8
56.05037	0.7
57.03423	1.2
61.02927	1.1
67.05508	1.5
69.03416	2.0
70.06592	11.5
71.04977	0.7
72.08158	2.2
77.18918	0.6
77.64761	0.5
77.94328	0.6
79.05463	0.7
81.03382	0.9
81.07044	1.7
82.06553	1.4
84.08157	3.2
85.02919	5.0
86.09697	5.6
91.05482	3.6
93.07037	0.8
94.04188	2.2
95.04967	0.8
97.02884	2.0
97.06515	1.3
98.09706	1.2
100.07613	1.4
103.03966	0.7
103.05453	5.0
105.07021	4.4
105.56441	0.6
106.85281	0.7
107.04975	1.3
108.08133	1.2
109.06499	1.7
110.07169	1.1
110.09671	6.0
111.10034	1.9
111.35023	0.6
111.86767	0.6
112.10341	0.6
114.09126	0.8
115.05482	0.8
117.07009	1.8
120.08104	1.5
121.02857	1.1
121.06500	3.7
122.03658	4.9
123.04459	1.0
123.08087	0.8
127.03896	1.6
128.06290	0.7
128.10721	29.1
129.10274	0.7
129.11061	10.4
129.27005	0.7
130.11266	2.2
131.04944	9.0
133.06483	20.5
135.08046	6.1
136.07571	0.7
137.05977	100.0
138.06339	1.0
138.08946	0.6
143.08527	1.1
145.05002	1.3
145.06485	3.7
145.13719	0.6
147.08043	1.0
149.05965	2.4
151.07549	6.9
153.06911	0.8
157.06488	1.5
163.07545	32.8
167.10429	1.1
171.08058	2.1
174.06801	2.0
175.07527	2.3
177.09137	1.2
181.08376	0.9
188.08406	1.0
189.09079	3.5
203.03427	0.6
203.05331	0.6
203.10657	4.7
204.03821	0.9
217.11899	1.7
235.11185	0.9
248.12639	0.9
252.15724	9.5
263.10709	2.5
266.13654	1.7
295.06009	2.3
295.13266	15.0
295.16370	1.1
296.06448	2.5
307.05960	0.8
308.06381	1.8
320.06503	0.7
321.07208	1.0
322.07846	2.1
327.15912	30.3
334.08044	0.8
335.09222	1.0
336.09467	1.4
338.07407	0.8
344.25882	0.8
345.16888	2.9
347.09055	0.7
349.06982	1.3
350.07437	2.3
362.07364	0.8
362.26947	2.2
364.08630	0.8
376.08987	0.9
380.20407	7.1
380.24515	1.2
392.08588	1.8
402.04880	0.8
404.08292	0.8
410.09567	1.9
418.10162	0.8
422.09680	1.6
428.10770	1.8
464.10587	1.9
476.10855	0.7
482.11649	1.0
506.11441	2.4
524.12921	3.3
525.13763	0.9
525.48041	0.9
541.32056	0.7
542.13806	7.3
542.25513	18.9
542.32599	17.7
543.25836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.4
56.38397	0.9
57.03428	2.9
58.06599	6.8
61.02914	1.9
67.05495	2.8
69.03426	6.4
69.07064	1.6
69.62585	3.4
70.06596	3.9
71.04984	1.5
72.08146	3.2
72.08524	0.9
73.02906	1.5
79.05499	1.8
81.03403	2.7
81.07051	3.7
83.08603	0.9
84.08145	18.5
85.02904	11.1
87.04445	1.3
88.07639	1.0
91.05472	1.0
93.07021	1.3
95.08601	2.2
96.08131	2.8
97.02889	4.5
97.06548	1.5
98.09735	1.2
98.23496	1.0
99.04473	1.2
101.02448	1.0
103.05477	1.7
105.07037	1.7
107.04916	1.1
107.76426	1.0
108.08096	1.5
109.02880	1.3
110.09669	3.1
112.11259	1.3
112.75273	1.0
114.09155	2.9
121.10145	0.9
122.03673	1.1
123.04432	22.2
123.05277	1.6
126.09163	1.9
127.03926	1.5
128.10704	8.9
133.06514	3.8
135.08086	2.5
137.05981	26.1
140.10744	1.7
144.10208	2.9
149.05965	5.9
151.07565	1.1
151.96138	0.8
154.12273	1.2
161.06036	1.1
163.07524	13.3
175.07503	1.5
189.09125	1.8
196.32988	1.0
238.21651	4.8
295.13361	4.0
317.42435	0.9
318.24326	2.1
327.15982	6.7
334.23743	1.3
344.25897	5.8
362.26877	18.4
363.27332	1.2
380.27942	27.3
381.28171	1.0
480.29474	1.7
506.30896	1.8
524.24890	1.4
524.32166	10.9
542.23425	7.4
542.33221	100.0
543.16962	1.3
543.24115	7.8
543.33429	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45905	0.4
55.01883	0.6
55.05503	0.6
56.05030	0.9
57.03435	1.8
58.06591	1.6
61.02922	1.2
67.05502	1.6
69.03429	3.6
69.07066	0.5
69.70773	0.8
69.71125	0.6
70.06591	3.1
71.04986	0.7
72.04505	0.5
72.08148	1.2
73.02914	1.6
74.06081	5.6
79.05508	1.7
81.03413	1.5
81.07052	1.7
81.78780	0.3
82.06577	1.9
82.79316	0.4
83.01371	0.4
84.08144	3.9
85.02905	6.4
86.06046	0.8
86.09715	0.5
86.87119	0.3
87.04467	1.3
91.03957	0.4
91.05482	1.0
93.07072	0.8
95.04979	0.9
95.08603	1.5
96.08118	1.9
97.02884	2.5
98.09704	0.9
98.23478	0.7
99.04453	0.4
100.07616	1.3
101.02364	0.4
103.03947	0.3
105.07030	0.4
107.04960	0.8
108.08144	0.6
109.02880	0.9
109.10174	0.5
110.09689	1.4
112.07595	0.9
114.09173	1.2
121.02866	0.5
121.06512	0.4
123.04433	9.6
124.11178	0.4
126.09160	3.4
127.03911	1.3
127.09892	0.4
128.10735	2.3
137.06059	0.4
140.10628	0.5
142.12244	1.0
144.10216	2.6
163.07549	0.8
163.94405	0.3
194.19165	0.5
203.90247	0.4
220.20630	0.6
238.21683	3.0
243.15967	0.4
256.22705	0.8
278.21304	0.4
292.22751	0.8
295.06012	0.8
296.06351	1.8
307.06149	0.8
308.06335	1.2
318.24329	2.9
321.07458	0.5
322.07660	0.4
325.06836	0.9
326.07513	0.8
330.24384	0.5
335.09036	0.4
336.09564	0.7
344.25812	4.5
348.25320	3.8
350.07480	0.7
360.25293	0.4
361.26138	0.5
362.07492	0.4
362.23206	0.5
362.26886	14.2
362.31448	0.7
364.09088	0.4
380.27960	17.7
381.28104	0.4
391.08310	0.5
392.08438	1.3
399.66388	0.3
404.08597	0.4
410.09409	1.5
422.09344	0.5
440.10852	0.5
480.29538	3.8
494.11124	0.5
506.11880	0.8
506.30844	2.3
524.12726	0.7
524.32281	9.1
542.14209	2.3
542.33221	100.0
543.33600	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3329
Annotation	5-O-Desosaminyl-14-hydroxyplatenolide I
Peak:m/z	Relative Intensity
52.35851	1.3
67.05499	1.9
68.55660	1.1
69.03423	1.5
70.06580	3.5
71.46097	1.4
73.85114	1.2
84.08138	3.9
85.02891	4.2
96.08127	2.9
96.94735	1.4
97.02854	2.2
108.08116	1.8
110.09651	3.2
114.09171	3.4
123.04408	7.4
124.11224	4.6
126.09150	3.0
136.11200	1.3
141.11443	6.0
144.10170	2.5
144.15070	1.4
147.04413	1.3
154.12268	6.0
179.05681	1.3
213.14813	1.7
220.20596	2.4
224.20018	1.6
238.21635	13.9
328.22540	1.7
344.25879	6.7
362.26880	25.1
380.27838	10.5
399.77725	1.3
506.31345	3.1
524.32098	20.6
533.80426	1.5
542.33185	100.0
543.33234	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3329
Annotation	5-O-Desosaminyl-14-hydroxyplatenolide I
Peak:m/z	Relative Intensity
53.03930	0.6
53.18865	0.5
54.85854	0.5
55.05514	0.5
56.05032	1.8
57.03438	1.0
58.06596	2.6
58.77023	0.4
67.05497	1.4
68.05010	0.7
69.03436	2.6
69.63786	1.8
70.06601	3.3
70.65137	0.5
71.04985	0.6
79.05506	1.0
81.07053	1.4
82.06573	1.6
84.08132	4.9
85.02908	3.1
86.31558	0.4
87.04459	0.7
88.07626	0.6
91.05457	0.9
93.07042	0.7
95.07327	0.6
95.08606	0.8
96.08109	2.3
97.02892	1.5
97.06537	3.4
98.09721	0.6
108.08128	1.2
110.09676	15.2
111.10486	3.0
112.11243	8.6
114.09174	1.0
121.10165	0.5
122.06365	0.5
123.04433	5.3
124.11231	1.1
126.12774	0.6
127.03921	0.6
128.10710	49.7
141.11491	0.8
149.05946	1.0
154.12268	1.0
163.07533	0.6
200.16570	0.6
220.20660	0.8
238.21645	2.9
256.22672	1.3
292.22354	0.5
312.84799	0.4
344.25885	3.6
346.38614	0.4
362.26862	9.2
380.27878	10.7
475.82001	0.5
506.31268	1.6
524.32166	7.7
542.33221	100.0
543.25891	0.5
543.33636	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	542.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	32.8
69.07066	3.8
71.08629	30.2
71.44461	3.6
73.06547	10.8
79.28418	3.0
85.10181	17.3
86.09714	3.9
87.04436	6.3
87.08098	10.1
89.06029	100.0
97.10150	3.3
99.11706	4.5
103.47735	3.1
104.10755	8.0
117.09169	4.8
130.08672	3.6
131.07059	3.5
131.72467	2.8
133.08604	50.6
146.98160	3.7
155.17953	4.1
169.08614	4.7
177.11266	19.5
199.20541	3.8
243.23221	9.0
287.25717	6.1
297.16962	4.9
371.22675	8.4
483.24554	5.5
525.39795	14.4
542.20209	8.2
542.32172	5.9
542.40381	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	543.1117
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
56.05021	2.6
60.04538	1.6
69.03428	1.5
70.06592	41.0
72.08149	8.0
81.07022	1.6
84.04516	4.1
84.08136	18.7
85.02903	1.9
86.09711	9.3
87.86401	1.2
88.86170	1.4
98.97598	1.6
110.07151	3.4
112.07555	1.4
113.81123	1.3
115.08717	2.9
116.07061	1.7
119.05009	1.4
120.08146	2.9
123.04408	2.9
125.18729	1.5
129.10234	14.5
130.10634	2.2
132.07799	1.3
136.07590	5.1
140.10678	2.5
145.02840	3.1
145.05003	1.6
148.29724	1.4
154.12175	1.5
169.13400	1.5
173.12877	1.3
177.05499	4.8
183.14915	2.1
204.15985	2.1
219.01753	2.2
306.57217	1.5
315.16467	1.5
319.16373	1.5
332.49619	1.8
358.19745	2.4
362.23007	2.2
363.07285	2.6
380.23956	4.8
381.05759	3.1
381.11456	2.7
483.14951	1.5
509.05093	1.7
542.29016	12.8
543.11041	100.0
543.28052	5.2
544.11108	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	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94685	0.4
81.17504	0.3
117.24763	0.4
118.67527	0.4
126.44369	0.4
251.01312	0.5
327.32190	0.4
363.06851	5.0
381.07898	8.7
437.83475	0.4
441.90433	0.4
543.13214	100.0
544.13422	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	543.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89051	3.1
56.96553	7.7
70.06580	7.5
71.45661	3.6
72.08138	3.3
79.05488	4.1
84.96022	6.0
86.09727	3.8
98.97580	52.3
98.98199	2.1
103.05463	5.2
105.07024	28.0
108.04377	2.5
110.97555	26.2
112.99131	7.7
116.98626	25.8
123.04387	2.9
128.98608	24.1
131.00200	6.9
131.04967	8.6
133.06497	70.4
134.99649	6.7
137.05980	3.8
146.99615	13.5
149.01245	3.1
149.05992	3.6
158.99626	7.4
160.62112	2.6
165.00743	5.0
170.99689	36.2
173.01299	7.5
177.00673	9.7
177.05510	4.1
187.43814	2.8
189.00710	68.3
191.02357	5.4
207.01744	11.9
210.60277	2.5
225.04391	3.6
226.07457	3.0
231.01712	14.3
249.02594	18.3
257.31656	3.1
267.03964	6.1
291.03827	100.0
309.01392	2.5
309.04910	48.6
310.90884	2.8
332.06583	4.8
344.53775	3.1
351.05957	53.5
351.09918	5.4
363.07535	22.6
365.50256	2.8
381.08408	9.3
411.08069	12.1
449.69812	3.0
483.11633	6.5
501.12357	9.4
542.32904	3.4
543.20880	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	543.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53572	0.6
53.21504	0.5
59.44716	0.6
59.73135	0.5
64.73730	0.6
69.92266	1.6
70.06597	2.3
76.17960	0.6
76.39465	0.6
81.07082	0.8
84.08134	1.3
85.02896	1.4
86.09715	1.2
97.02920	0.7
98.22782	0.8
98.97602	2.7
100.42595	0.6
110.09665	1.4
116.98643	1.4
123.04453	1.3
123.11703	1.5
128.10713	5.7
129.11063	2.4
143.00146	0.9
156.54678	0.6
158.99762	0.9
161.01219	1.0
177.00691	1.2
199.48694	0.6
203.02309	0.7
219.01814	0.9
237.02960	1.3
264.25339	0.7
344.25867	1.0
362.26862	1.3
363.05594	1.3
363.27155	0.8
365.10468	1.0
502.12885	2.4
524.31598	0.7
542.33197	9.4
543.14783	100.0
543.24036	12.9
543.33221	4.2
544.14844	1.6
553.62238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.183
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28078	2.0
70.06599	0.5
81.22223	0.4
86.09714	0.4
124.49731	0.3
125.37648	0.4
185.04242	0.7
188.68332	0.4
219.10149	0.6
220.10590	1.2
221.10672	0.6
281.10938	0.4
381.12857	1.8
391.03860	0.4
513.17352	0.6
543.18317	100.0
544.18616	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	543.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66184	0.3
57.03401	0.3
69.03419	0.3
70.06571	0.3
70.36687	0.2
71.46769	0.3
72.08179	0.2
81.07098	0.2
84.08131	0.4
85.02905	0.3
85.08493	0.2
123.04435	0.8
128.10762	0.4
137.05989	0.3
162.83287	0.3
163.07596	0.3
185.04227	0.9
212.64630	0.2
222.60184	0.3
309.09457	0.8
344.25815	0.4
362.26895	0.8
363.27295	0.7
380.28046	0.5
381.13196	0.3
381.28339	0.5
506.43542	0.3
524.32410	0.4
525.32617	0.8
542.33167	2.3
543.18329	100.0
543.33246	4.0
544.18604	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32751	0.4
69.27393	2.5
70.06586	0.7
185.04385	0.6
203.05241	0.8
266.42838	0.4
362.26776	0.7
363.27423	0.5
381.28088	0.8
469.24634	0.5
525.32379	0.7
542.33868	0.9
543.18329	100.0
544.18585	3.5
550.15826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
55.05526	0.7
55.82072	0.7
57.03438	0.9
58.06634	0.8
60.57721	0.6
67.05514	2.3
69.03436	1.2
69.07067	1.2
69.23869	4.0
70.06598	3.4
72.08163	4.5
73.08492	0.9
77.43275	0.6
79.05526	1.0
81.07069	2.1
84.08154	1.4
85.02916	3.1
86.09715	1.3
91.05493	0.8
93.07056	2.3
93.58820	0.7
95.08610	2.0
97.02918	1.0
98.09686	2.2
99.04485	0.8
99.10034	0.8
103.03964	0.8
105.07088	0.8
107.04971	4.5
107.08607	0.9
107.21490	0.6
108.05325	0.8
109.10155	1.3
119.08593	0.7
120.08109	0.8
121.10172	1.0
127.03926	1.9
128.10683	0.7
129.10251	0.7
133.06549	1.0
145.04871	0.8
145.10155	1.0
147.08034	1.2
149.05980	2.3
198.38712	0.8
206.60535	0.7
219.13873	2.6
237.14824	1.3
345.29910	1.3
362.30695	1.6
363.24982	1.9
363.30640	3.6
380.31476	2.3
381.18655	1.1
381.31927	2.4
399.19937	2.5
441.20300	1.1
481.24109	10.6
483.22137	3.6
525.22913	0.7
542.36615	6.0
543.24072	100.0
543.31415	31.2
543.37463	7.0
544.24579	4.9
544.31622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3147
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
69.78755	0.6
69.79121	0.7
81.07015	0.8
85.02898	0.4
86.09718	0.4
91.05486	0.4
93.07015	0.4
97.06492	0.4
99.04422	0.4
105.07026	0.5
109.06525	0.5
112.92824	0.3
119.08573	0.4
122.08500	0.4
179.44673	0.3
185.04121	0.4
333.23898	0.8
363.24875	1.9
381.26120	83.0
382.26401	2.5
458.96732	0.4
543.31427	100.0
544.31653	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	544.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01881	0.7
55.05508	1.2
56.05036	1.1
57.03439	5.2
58.06589	0.7
61.02925	2.0
65.03943	0.4
67.05505	4.1
69.03429	6.8
69.07074	2.4
70.06591	2.5
70.08990	0.4
70.09309	0.6
71.01341	0.4
71.05001	3.1
71.99665	0.3
72.04508	0.9
72.08158	7.8
73.02910	1.4
79.05501	4.7
81.03426	2.6
81.07059	4.8
83.04992	1.0
84.08144	1.3
85.02905	9.3
85.06528	0.6
85.08928	0.7
86.09699	2.4
87.04475	1.9
91.03947	0.5
91.05484	4.8
93.07057	3.5
95.04972	1.6
95.08630	3.2
97.02895	3.6
97.06537	2.9
98.09695	17.0
98.23367	0.4
99.04477	1.1
99.08086	2.2
101.02363	0.7
102.09183	0.7
103.44112	0.3
105.04506	0.3
105.07030	2.8
107.08597	2.6
109.02876	1.8
109.06521	1.4
109.10146	0.9
110.07162	2.6
110.09689	0.5
111.08080	0.6
113.09628	0.5
115.05477	0.4
117.07019	1.9
119.08593	2.8
119.94314	0.3
121.10165	1.2
121.70119	0.3
123.08073	2.0
124.11240	1.2
127.03900	2.0
128.10768	0.5
129.07010	0.7
131.08591	1.7
133.10156	1.5
135.08110	0.8
135.11795	0.6
135.50417	0.4
137.09628	0.8
142.12276	9.3
143.08575	1.1
145.10112	1.6
147.11737	1.5
149.99295	0.4
156.07666	2.1
156.13824	0.6
157.10139	0.5
159.09251	0.4
159.11708	1.0
161.13196	0.5
163.11168	0.8
171.11685	0.5
186.14897	0.4
189.12778	0.6
213.16464	0.3
266.21469	0.4
269.75388	0.3
276.20569	0.4
324.36823	0.4
338.20651	0.8
346.27512	1.2
348.25412	0.6
349.25513	0.6
350.26068	1.5
364.28458	7.0
380.28186	0.4
382.23639	2.1
382.29504	24.4
383.29898	0.4
508.33054	0.5
512.31458	1.7
526.33545	3.3
544.34802	100.0
545.35101	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	544.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19914	0.2
53.03939	0.3
55.01878	0.6
55.05515	1.4
56.05033	1.1
56.87832	0.3
57.03437	3.5
58.06599	0.6
59.04996	0.3
65.03958	0.3
67.05503	3.6
69.03423	0.2
69.07065	2.5
69.63064	0.5
70.06596	1.1
71.05010	0.4
72.04523	1.3
72.08156	6.8
79.05492	3.3
81.07053	4.6
83.04981	0.4
83.08629	0.7
84.08149	0.7
85.02909	0.3
85.06522	0.3
85.08940	0.5
86.09724	0.8
91.05482	1.6
93.07044	2.8
95.04976	0.5
95.08605	4.6
97.06533	2.0
97.10184	0.4
98.09695	17.3
99.08099	2.0
102.09198	0.9
105.06998	1.3
107.08598	1.7
109.06527	0.4
109.10172	1.0
110.09721	0.4
111.08134	0.4
113.09656	0.5
115.07527	0.2
117.05769	0.5
117.07076	0.5
118.06534	2.3
118.07211	0.2
119.08607	1.1
121.10135	1.2
124.11256	0.9
125.09631	0.4
130.06516	3.6
131.08568	0.7
132.08087	4.9
133.10179	0.6
135.11746	0.6
142.06544	0.8
142.12265	8.2
144.08076	4.5
145.10136	0.7
146.06003	14.3
147.06343	0.3
147.11690	0.8
149.13292	0.3
157.10248	0.3
158.15443	0.6
159.09180	19.1
160.07588	0.8
164.74071	0.3
170.05998	2.2
187.14819	0.4
188.07066	32.0
189.07370	0.5
205.09717	4.6
215.08603	0.4
228.81741	0.3
233.11211	0.3
277.21582	0.4
297.03833	0.2
321.29260	0.5
322.27377	1.5
339.30005	0.9
340.28421	4.6
341.22299	0.5
356.40518	0.3
357.31161	0.3
358.29584	3.3
381.26382	0.6
382.26474	1.8
480.35294	0.5
508.35651	0.5
526.36530	3.7
544.37567	100.0
545.31641	1.0
545.37769	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	545.1996
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
58.65179	1.1
66.74603	1.3
70.06557	1.2
71.45850	1.5
84.62117	1.3
86.09703	3.1
95.47410	1.2
147.08870	1.3
350.18491	1.3
471.96661	1.3
545.19830	100.0
546.20398	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95555	1.1
70.87670	0.3
75.11655	0.5
86.09698	0.5
137.24054	0.4
142.36711	0.4
159.04190	1.0
175.63385	0.4
185.04204	0.6
187.05917	0.4
216.49707	0.4
309.09491	0.7
382.13962	0.5
545.19910	100.0
546.20337	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86591	1.8
53.03955	8.4
55.01886	3.4
55.05507	4.3
56.05026	3.5
57.03442	10.1
58.06606	2.6
59.13123	1.9
61.02932	3.2
63.98627	2.0
67.05527	6.0
69.03429	47.5
69.07088	5.6
69.49059	7.3
69.49429	3.8
70.06593	22.8
71.05006	8.6
72.04518	2.7
72.08160	15.1
73.02930	6.5
79.05497	12.3
80.05840	2.8
81.03417	26.1
81.07053	10.0
83.04990	5.0
84.04526	3.9
84.08160	8.4
85.02904	70.4
85.06561	2.8
86.09713	19.0
87.04502	2.5
91.05483	15.3
93.07072	7.3
95.05006	5.0
95.08627	4.8
97.02898	41.2
97.06554	6.7
98.09686	28.0
98.10220	2.3
99.04459	47.3
99.05064	3.3
99.08150	5.1
99.10048	3.9
103.03941	59.5
103.04601	3.4
105.03397	2.3
105.07033	13.9
107.08618	6.0
109.02882	27.3
109.06540	5.1
110.09746	2.8
112.82496	2.1
116.70650	2.1
117.07040	3.9
119.04951	3.2
119.08599	14.2
120.08143	9.0
121.10159	2.6
123.08112	2.4
124.11200	2.5
127.03921	100.0
128.10735	2.5
129.07016	5.1
129.10272	7.4
131.08620	7.1
133.06523	3.7
133.10130	31.4
135.08093	17.2
137.09673	3.1
142.07774	11.6
142.12279	15.4
143.08578	3.3
143.11768	2.3
143.12727	2.5
145.04953	49.2
145.06503	5.4
145.10118	4.4
146.07298	3.3
147.11671	13.8
149.09619	3.6
151.07587	4.8
152.08401	5.7
153.09177	5.9
157.10126	16.3
159.08060	5.7
160.08815	15.4
161.09622	52.1
163.06001	10.3
165.09100	16.8
173.09680	8.6
175.11177	48.2
175.12572	2.4
177.09123	3.2
179.10747	3.7
185.09698	8.7
187.06096	6.8
188.08388	3.6
191.10780	8.0
193.12355	5.9
203.10677	59.4
205.07048	3.1
221.11725	72.1
222.12094	2.7
228.13834	2.3
239.12868	4.9
271.08072	5.7
274.11642	2.2
364.28574	6.3
365.28925	7.6
382.29752	6.5
383.29752	11.0
527.34998	12.2
544.34814	19.2
545.22247	6.6
545.35272	73.8
546.36499	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	545.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74044	0.7
60.05632	2.4
70.06591	6.6
70.68867	0.6
112.08661	0.9
116.07079	1.8
130.09727	0.7
136.06169	0.8
137.06854	0.7
155.06725	2.2
158.09273	1.5
169.09325	1.1
171.10876	5.2
172.09230	1.3
173.07727	3.9
175.11900	9.1
177.63031	0.7
179.09059	2.3
187.10437	0.8
189.11908	3.9
197.08600	1.4
197.10220	7.3
215.09906	6.0
216.08279	0.8
222.10918	1.9
224.12416	3.1
233.10834	1.4
234.10898	1.6
239.13472	1.2
240.11952	6.2
251.13509	11.3
252.11974	2.4
267.13016	1.8
269.14581	59.8
270.12979	3.0
276.13235	1.2
293.15659	2.9
294.14166	4.0
310.78580	0.6
311.16769	26.2
336.16232	2.0
353.19031	6.6
371.19989	100.0
372.20181	3.1
388.05054	0.7
389.04822	0.8
545.15527	1.8
550.49738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98090	4.8
60.29903	5.7
61.83025	5.1
68.89700	5.8
69.12440	18.4
69.12849	17.7
71.21023	5.9
80.34672	5.5
93.07064	8.2
95.08578	7.1
96.04121	6.5
125.19058	5.6
226.38274	6.4
233.66498	6.0
370.44000	6.2
527.37848	9.1
545.32043	100.0
545.38635	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	545.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07032	0.7
67.40009	0.3
69.03384	0.5
69.07021	0.4
69.59586	1.3
70.06545	1.5
71.06173	0.3
79.73664	0.3
80.53512	0.3
81.03365	0.6
81.07020	0.7
84.08085	0.6
85.02875	0.7
91.05460	0.4
95.08568	0.4
97.02893	0.4
99.04440	0.3
103.03897	0.5
109.80286	0.3
127.03924	0.6
129.10257	0.3
131.08487	0.3
145.04930	0.4
147.11566	0.4
149.02336	10.2
185.04156	1.2
223.09608	1.8
335.25562	0.6
365.26660	1.9
383.27676	61.9
384.28094	1.2
483.32813	0.5
545.33020	100.0
546.33417	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09082	0.2
67.05477	0.2
69.03435	0.3
70.06587	0.7
70.63522	0.2
72.08153	0.4
73.53517	0.2
79.05527	0.3
81.03434	0.2
81.07088	0.4
84.08153	0.4
85.02921	0.4
86.09703	0.5
91.05482	0.3
97.02905	0.5
98.33002	0.2
105.07009	0.3
107.08595	0.3
109.02882	0.3
120.08104	0.4
126.44993	0.2
127.03952	0.3
165.15222	0.2
207.06514	0.3
383.27866	0.8
453.85510	0.3
502.92825	0.3
545.25867	5.4
545.32965	100.0
546.25446	0.4
546.33118	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	545.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11999	0.2
67.05491	0.4
69.03429	0.3
70.06595	0.8
71.04985	0.5
72.08175	0.5
79.05486	0.2
81.07067	0.5
84.08150	0.3
85.02913	0.6
86.09702	0.7
91.05473	0.3
93.07056	0.3
95.04982	0.3
95.08627	0.4
97.02920	0.4
97.06583	0.2
98.09688	0.2
103.03949	0.3
105.07026	0.4
106.60451	0.2
107.04977	0.2
109.06569	0.2
111.08082	0.3
121.10153	0.2
127.03938	0.5
135.11656	0.2
142.12311	0.2
148.75351	0.2
159.08073	0.2
185.04478	0.2
221.19225	0.3
287.10028	0.2
365.27014	0.3
383.27811	0.7
392.47748	0.2
425.29248	0.3
527.32159	0.3
545.32990	100.0
546.33337	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	545.3451
Annotation	Lys Arg Leu Glu
Peak:m/z	Relative Intensity
55.05509	1.5
57.03430	0.8
64.14144	0.3
67.05496	4.2
69.07068	1.0
69.99935	0.7
74.58168	0.4
79.05497	2.6
80.02378	0.4
81.07061	2.5
83.08588	0.6
85.06555	0.3
87.26800	0.4
91.05470	2.0
93.07047	3.1
95.04985	0.5
95.08617	1.7
105.07030	1.3
107.08614	1.3
109.10166	3.8
112.13256	0.4
117.07046	0.8
119.08585	1.6
121.10172	1.1
131.08580	0.9
133.10150	1.2
135.11693	0.6
145.10152	0.7
147.11710	0.9
157.10165	0.5
159.11748	0.6
173.11748	0.6
195.09900	2.3
229.14355	1.0
251.12465	2.2
299.19910	0.5
317.20926	2.0
333.24274	0.6
339.76044	0.4
373.23456	4.0
435.32935	0.5
527.37384	1.5
545.34491	100.0
546.34802	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	546.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.5
56.05042	2.7
57.05828	1.3
61.06555	0.6
68.04975	0.8
69.07060	7.5
69.21560	3.8
70.06600	6.8
72.08154	100.0
81.07069	0.9
82.06602	1.0
83.05004	0.8
84.04100	0.5
84.04503	43.5
84.08147	5.7
85.02901	3.3
86.09704	69.2
87.10036	0.9
89.82518	0.7
96.08143	0.7
97.02901	2.0
97.06593	0.7
99.04459	1.7
102.05544	22.6
103.03931	2.0
106.64400	0.7
110.07146	1.5
110.09737	0.8
112.11226	1.7
114.09231	1.6
116.07117	0.8
120.08175	1.1
127.03914	1.9
128.10733	3.3
129.06602	18.5
129.10240	58.0
130.04996	10.4
130.06531	1.2
130.10544	1.1
141.06587	1.4
143.11760	0.7
144.08105	1.1
145.05020	1.3
148.06044	39.9
152.10678	1.2
157.09724	11.3
170.11755	7.6
171.11313	1.7
172.07466	0.8
175.10837	2.7
181.09753	1.6
190.08691	1.2
197.12857	37.7
199.10779	0.9
215.13911	36.4
216.14474	0.8
225.12337	20.7
225.14461	1.3
241.14539	0.8
243.13367	9.8
247.12863	7.5
252.17195	0.8
254.14972	2.8
259.09616	5.4
270.18225	0.8
282.14505	8.0
283.54037	0.8
286.14020	1.3
300.15558	15.7
304.15002	10.5
335.20984	0.8
339.41202	0.8
353.21826	35.3
354.22195	1.2
370.25320	0.7
371.22925	12.9
372.19006	1.5
372.23444	0.8
375.12119	0.9
381.21344	16.2
399.22421	11.2
417.23499	1.1
427.10687	0.8
496.24496	2.2
510.25494	1.3
514.25629	3.6
546.27020	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	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05506	9.4
57.03437	4.1
57.07074	3.4
62.06092	18.9
62.33724	1.5
67.05494	13.4
68.54744	1.3
69.07063	12.3
69.76228	5.1
71.05000	1.7
71.08636	8.8
78.66807	1.5
79.05499	5.6
81.07049	16.7
83.04974	3.2
83.08624	6.5
84.69727	1.5
91.05487	7.9
93.07042	11.7
95.04968	2.2
95.08594	11.3
97.06528	4.1
98.98460	40.2
99.08086	3.3
105.07020	12.2
107.08577	15.0
109.06512	12.2
109.10170	5.6
111.08120	2.1
117.07011	1.6
119.08584	22.3
121.10126	9.9
123.08047	24.1
123.11732	2.6
125.09678	1.8
131.08583	5.9
132.10194	2.0
133.10143	14.9
135.08054	13.1
135.11691	3.4
137.09650	2.9
143.08530	1.8
145.10110	6.2
145.12421	1.5
147.11656	8.1
149.09621	3.6
155.01044	2.9
157.10071	2.0
159.11691	4.1
161.09598	3.5
165.12766	1.9
173.02118	4.4
175.11130	1.9
175.14810	13.8
177.12761	6.4
179.14297	36.9
179.28015	1.4
205.15865	8.2
216.06366	4.7
241.38573	1.5
247.20506	2.7
259.45438	1.4
263.19943	3.7
275.20071	4.7
289.21628	3.7
293.21176	3.5
303.26810	4.7
319.22638	5.0
331.26279	47.6
349.27475	3.3
357.47208	1.5
369.27939	2.1
374.30478	6.9
387.28900	6.3
405.30005	100.0
419.27399	1.8
423.30841	2.8
485.26620	65.0
486.26611	2.8
503.27667	99.2
504.27917	2.8
528.30756	23.3
533.55908	1.7
546.31848	36.0
547.31659	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
55.05509	4.1
57.03430	2.7
57.07069	1.8
62.06090	1.2
67.05504	6.2
69.03436	0.8
69.07069	5.6
70.71188	1.5
71.04996	1.3
71.08633	4.2
77.40804	0.6
79.05501	4.0
81.07059	10.1
82.94199	0.6
83.04988	1.1
83.08625	3.0
85.06516	1.1
91.05490	3.6
93.07043	6.5
95.04988	0.9
95.08602	8.0
97.06536	2.8
97.10177	1.2
98.98479	3.7
99.08101	2.9
105.07030	5.5
107.08588	7.0
109.06540	6.3
109.10136	3.6
111.08105	0.7
117.06995	1.0
119.08585	8.2
121.06485	0.9
121.10132	3.7
123.08058	12.8
123.11745	1.3
125.09646	0.9
131.08594	2.4
133.10138	6.0
135.08058	7.9
135.11725	2.4
137.09595	1.4
143.08560	0.8
145.10075	3.3
147.11710	4.5
149.09637	2.5
149.13304	2.4
157.10126	1.0
159.11690	2.7
161.09630	1.2
161.13255	1.0
163.11148	0.7
165.12683	0.9
167.14314	1.6
171.11688	1.0
173.13281	0.9
175.14830	6.6
177.12798	2.7
177.16466	0.8
179.14313	18.7
191.14384	1.6
193.15854	1.5
205.15874	2.5
216.06367	1.5
219.88390	0.8
231.15836	1.0
263.19983	1.1
275.20056	1.2
289.21640	5.3
289.24594	0.8
293.21310	1.5
303.26801	1.3
319.22772	0.9
331.26312	11.8
332.26605	0.7
337.23608	1.3
347.25998	1.1
349.23676	1.0
349.27399	6.1
361.27209	0.7
369.27893	1.1
374.30371	1.3
375.28979	1.3
387.28958	4.8
405.29996	100.0
406.30466	3.1
485.26599	1.2
503.27640	5.3
546.31873	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	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01873	6.0
55.05510	17.4
57.03421	9.1
63.10450	3.0
65.03917	4.9
67.05501	33.4
68.36001	2.9
69.03420	13.2
69.07072	17.9
79.05479	25.2
81.03420	29.0
81.07059	70.3
83.04970	10.1
83.08628	16.1
85.02910	4.6
91.05466	30.8
93.07055	25.5
95.04964	14.5
95.08595	20.2
97.02878	10.2
97.06516	9.3
99.04462	6.0
99.08064	3.4
103.03879	4.0
105.07038	24.6
107.04939	9.8
107.08588	17.9
109.02876	6.4
109.06521	27.1
109.10148	6.5
117.07048	6.1
119.08582	24.6
121.06528	4.5
121.10166	15.4
123.08044	10.6
123.11648	3.2
127.03899	6.9
129.06950	3.5
131.08574	17.0
133.10146	18.4
135.08000	6.4
135.11674	7.5
143.08582	4.0
145.06519	3.9
145.10106	16.6
147.08086	4.2
147.11623	15.7
149.09613	8.6
149.13237	4.7
155.94029	3.3
157.10115	5.6
159.11711	10.5
161.13310	5.5
163.11269	5.2
165.12816	4.8
169.10089	3.5
171.11642	6.6
173.09641	4.4
173.13184	4.5
179.14278	6.0
183.11696	4.7
201.96291	3.1
245.84064	3.5
247.20638	4.6
257.19113	5.0
273.91028	3.0
275.20053	53.1
293.20804	3.5
299.20157	4.6
349.23727	100.0
349.27792	6.7
367.24731	19.1
377.23328	4.1
383.22540	3.8
391.24591	5.7
405.30029	24.5
419.24182	8.5
457.25580	4.8
475.26883	16.1
493.27625	18.9
511.29108	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
56.05035	0.7
58.06608	1.7
60.08165	18.4
67.05495	3.7
69.07077	1.5
71.07375	6.6
79.05500	2.7
81.07049	3.8
82.71515	0.6
83.08620	0.7
86.09705	50.0
87.10025	0.6
91.05478	1.9
93.07050	2.8
95.05000	0.7
95.08622	2.3
98.98479	3.8
104.10743	100.0
105.07024	0.8
107.08624	1.2
109.10177	1.4
117.07087	0.6
119.08588	1.2
121.10133	1.3
125.00004	30.7
125.09674	0.7
133.10173	1.0
154.94174	0.9
156.97466	0.6
172.95236	1.4
181.02586	0.9
184.07341	92.9
185.07709	0.8
213.00121	1.0
258.11176	0.9
308.28101	0.5
405.29996	0.9
473.19650	1.2
505.23920	0.6
528.34302	8.6
546.35425	32.0
547.23083	1.7
547.35663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90523	0.3
55.05518	1.5
56.05036	1.3
57.03432	0.5
58.06587	1.9
59.07367	0.4
60.08163	18.4
61.29254	0.2
67.05503	3.1
69.07066	0.9
69.85184	0.9
70.06612	0.4
71.07369	7.1
79.05493	2.1
81.07063	2.3
83.08601	0.5
86.09705	55.4
87.10046	0.4
91.05479	1.2
93.07043	2.0
95.04995	0.4
95.08601	1.9
98.98461	4.8
104.10741	99.0
105.07035	0.8
105.11067	0.9
107.08569	0.9
109.10168	0.9
119.08550	0.3
121.10139	0.9
125.00005	31.4
133.10132	0.4
135.11646	0.5
143.00990	0.4
145.10223	0.3
147.11661	0.5
154.94162	0.3
161.05621	0.3
163.01553	0.5
172.95262	0.3
184.07338	100.0
185.07703	1.0
213.00145	0.4
216.74503	0.3
258.11041	1.2
363.28830	0.6
528.34485	8.5
546.35510	36.1
547.36115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35998	3.2
55.05515	8.2
57.07091	3.7
61.02928	5.2
66.05032	3.8
67.05508	43.0
69.07066	10.0
69.15399	4.1
69.26961	13.4
69.27365	7.7
79.05482	27.4
81.07050	52.8
83.08621	7.3
85.02891	7.7
86.09700	6.2
90.15793	3.6
91.03950	5.9
91.05490	11.1
93.07040	31.1
95.08595	38.1
97.02880	5.0
97.10151	4.4
98.22729	6.9
98.71139	3.5
105.07065	11.9
107.08580	18.8
109.10129	20.0
117.06982	5.4
119.08618	9.1
121.10113	25.8
123.11708	17.0
131.08574	12.1
133.10176	7.1
135.11703	24.6
137.13292	9.0
145.10129	12.7
145.74602	3.4
147.11693	10.7
149.13266	22.0
149.14268	3.9
159.11647	8.6
161.13237	6.7
163.14838	10.8
173.13271	15.8
177.12767	4.0
184.07388	10.0
187.14853	8.2
193.85732	3.4
205.15794	4.8
233.22559	5.9
243.21129	29.4
246.65326	3.9
254.98395	3.8
255.97301	3.9
261.22141	100.0
279.23111	6.3
317.24359	3.7
335.25781	35.9
353.26862	36.3
450.86438	3.7
563.77405	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	546.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77359	3.8
60.08182	19.4
67.05511	10.1
70.57436	5.5
70.57788	6.7
71.07372	5.9
79.03580	3.9
79.05501	6.7
81.07058	15.2
86.09694	48.8
93.07059	13.6
95.08610	12.8
95.27744	3.6
104.10742	100.0
106.13645	3.8
107.08572	6.9
109.10165	9.7
113.91335	4.7
119.08595	5.2
121.10169	9.1
123.11671	7.5
124.99997	22.8
131.08566	5.4
135.11691	6.4
135.41072	4.4
145.10124	5.4
161.94128	4.2
167.28476	3.7
173.13248	8.0
184.07343	93.9
243.21149	10.9
261.22141	44.0
312.92053	4.3
335.25827	8.8
353.26788	16.6
381.47992	4.8
487.75262	3.8
528.33771	9.2
546.28406	4.6
546.35590	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	546.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13400	0.3
53.03959	0.6
55.01875	1.4
55.05507	1.7
56.05035	0.9
57.03434	5.5
57.65508	0.3
58.06590	0.9
61.02929	2.0
67.05503	5.4
67.37245	0.3
69.03429	6.4
69.07074	3.1
70.06598	2.1
70.72451	0.6
71.04991	4.3
72.04523	1.0
72.08152	7.0
72.52708	0.4
73.02911	1.2
75.40030	0.3
79.05494	6.5
81.03417	2.3
81.07061	6.4
83.04983	0.8
83.08627	0.9
84.08159	1.2
85.02905	9.7
85.06548	1.2
85.08926	0.8
86.09698	1.8
87.04492	1.4
91.05487	5.4
93.07045	4.9
95.04987	1.9
95.08600	4.3
97.02896	4.2
97.06533	5.0
98.09691	16.4
99.04475	1.0
99.08080	3.4
102.09200	0.7
103.03944	0.9
105.07036	4.1
107.08578	2.5
109.02899	1.6
109.06532	0.6
109.10179	1.3
110.09686	0.4
111.08121	0.5
111.39555	0.3
113.09687	1.0
113.30167	0.4
113.73636	0.4
115.07578	0.6
117.07037	1.5
119.08604	3.4
120.08118	0.6
121.02877	0.7
121.10193	1.5
123.08072	1.1
124.11312	0.5
127.03899	2.7
128.10788	0.5
129.07034	0.4
131.08566	2.3
133.10133	1.9
135.11703	0.8
142.12270	8.8
143.08607	0.9
145.04991	0.9
145.10156	1.5
147.11740	1.2
151.11195	0.4
156.13788	0.5
157.10129	0.8
159.11732	0.9
163.03883	0.5
163.06036	0.4
171.11617	0.5
173.13243	0.9
175.14780	0.5
186.14946	0.8
199.14806	0.5
256.19266	0.6
295.05862	0.9
307.06061	1.0
321.07782	1.0
325.07193	1.2
348.28961	2.4
349.07150	0.7
361.06982	0.6
366.26874	0.4
366.30075	9.5
379.08151	0.8
384.31094	22.0
385.31567	0.5
391.08200	0.8
421.09064	0.6
426.32156	0.4
439.10446	0.5
481.11472	0.8
511.12509	1.3
528.35327	6.0
529.13361	1.2
546.36371	100.0
547.36652	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	546.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51036	0.3
53.03955	1.5
54.21645	0.3
55.01875	1.0
55.05511	1.8
55.68650	0.4
56.05034	1.0
57.03183	0.4
57.03444	4.9
58.06609	0.6
59.66906	0.4
61.02924	1.6
67.05506	4.4
69.03429	7.3
69.07064	3.1
69.15526	1.7
69.15937	0.9
69.97555	0.3
70.06613	1.9
71.04989	3.8
71.22596	0.3
72.04523	0.8
72.07780	0.6
72.08160	6.2
73.02927	1.3
79.05499	5.5
81.03424	2.6
81.07063	5.8
83.04994	0.9
83.08614	0.6
84.08153	0.8
85.02907	10.1
85.06544	0.8
85.08947	0.6
86.09710	1.3
87.04468	1.8
91.05479	5.4
93.07042	4.4
95.04983	1.0
95.08606	3.9
97.02894	3.8
97.06532	4.0
98.09695	15.5
98.22701	0.8
99.04483	1.0
99.08098	2.9
101.02406	0.4
102.09193	0.5
103.03957	0.4
105.07039	3.8
107.08619	2.4
109.02908	1.4
109.06549	0.5
109.10185	0.9
111.08041	0.4
111.63596	0.4
113.09665	0.8
115.07529	0.4
117.07045	1.7
119.08578	2.5
121.10163	1.5
123.08075	1.1
124.11250	0.7
125.09631	0.5
127.03893	2.2
128.10744	0.5
129.07083	0.8
131.08556	2.5
133.10143	1.6
135.11731	0.5
137.09637	0.4
142.12263	7.8
143.08583	1.1
145.04968	0.9
145.10136	1.5
147.11726	1.1
149.09764	0.5
149.13283	0.3
156.13872	0.4
157.10130	0.7
159.11754	0.8
169.10057	0.5
173.13318	0.5
186.14941	0.4
187.14882	0.4
205.12190	0.4
221.43062	0.4
263.78003	0.3
269.77942	0.4
273.04163	0.5
278.05402	0.5
295.06067	0.9
298.30551	0.4
307.06012	0.4
321.07666	0.5
325.07254	0.5
348.29034	1.9
359.52631	0.4
366.30017	6.4
367.30652	0.5
382.29239	0.4
384.31064	25.3
385.31491	0.7
481.11499	0.6
493.11197	0.6
511.12729	0.8
528.35266	2.4
546.36346	100.0
547.36530	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	547.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29681	0.9
52.04955	0.9
55.01876	5.7
57.03439	3.7
61.02940	1.1
65.03947	1.8
67.05512	2.9
68.99786	1.0
69.03436	4.0
69.07098	1.3
69.53547	2.7
69.53944	1.7
70.06596	2.1
71.05005	2.5
71.08580	1.2
72.08145	4.5
73.02920	1.8
79.05491	1.8
81.03408	5.5
81.07058	3.4
84.08150	1.5
85.02909	5.5
86.09708	3.9
87.04465	1.8
91.05476	17.1
93.03449	1.7
93.07043	2.3
95.04960	1.2
95.08627	2.1
97.02898	2.9
97.06537	1.3
97.23855	1.0
98.09681	6.5
99.04464	1.9
99.16786	0.9
103.03949	1.4
103.05455	1.3
105.03432	1.0
105.07018	1.8
107.04967	2.3
107.08609	1.3
109.02895	1.8
109.10182	1.3
111.04440	1.1
119.04939	32.6
119.08600	1.8
121.02865	36.1
121.03787	1.3
123.04411	2.2
127.03913	2.7
129.03328	1.1
131.08562	1.6
133.02866	3.0
135.04459	1.2
140.41740	1.0
142.12288	2.8
145.02853	5.9
145.04869	1.5
147.04398	21.1
157.03993	2.6
159.04448	1.1
160.84294	1.1
161.02396	1.8
163.03874	1.2
165.01862	1.3
171.04411	1.7
175.03912	41.7
177.01842	4.2
179.03377	11.1
179.07018	2.3
187.03929	3.8
189.01825	9.8
189.05492	1.2
189.12720	1.6
191.03421	6.5
195.02881	5.9
197.06099	1.3
199.03889	2.3
201.05554	1.3
203.03372	13.0
203.05089	1.6
205.04953	2.9
207.02962	7.5
207.06516	84.3
208.06934	1.2
209.04361	2.1
215.03387	11.5
217.01300	1.4
217.04959	6.1
219.02888	3.7
221.04404	3.9
224.96373	1.1
227.03435	1.9
229.04916	2.0
231.02872	2.2
233.04460	3.5
241.05060	2.9
243.02800	6.0
245.04417	2.0
247.02328	1.1
255.02869	1.1
255.06488	1.8
257.04318	1.4
261.04013	1.9
263.06976	1.0
267.02740	1.0
267.06558	3.4
268.07291	4.5
277.08530	1.4
278.89856	1.2
279.06494	4.0
279.09393	1.1
280.07184	1.1
281.08054	2.5
283.05966	22.2
284.06738	2.8
291.06293	1.3
292.07303	2.0
293.08072	3.6
294.05234	11.0
294.08456	2.0
295.05991	72.4
296.06610	7.4
297.07507	14.9
298.08258	1.8
305.08075	3.4
306.05212	1.3
306.08688	2.2
307.05966	58.2
308.06732	13.9
309.04269	1.4
309.07538	28.2
310.08109	1.1
310.82556	1.0
311.05536	2.3
312.06122	4.6
313.07071	2.4
317.08063	4.7
319.06030	9.1
319.09415	1.8
320.06659	7.5
321.07535	44.7
322.04852	1.9
322.08310	7.4
323.05447	4.9
323.09146	6.9
324.06384	3.0
325.07043	57.7
326.07742	3.7
329.07980	4.1
332.06979	1.3
333.07541	33.1
334.08206	5.2
335.05466	5.8
335.09171	14.6
335.58749	1.0
336.06296	5.8
337.07025	36.6
339.08786	3.4
344.06848	1.8
345.07571	9.8
346.08069	1.7
347.05359	3.2
347.09253	5.2
349.07068	37.9
349.10446	1.9
350.07730	5.9
351.08350	15.4
353.06561	8.8
355.08426	1.3
357.07559	1.5
359.09253	1.5
360.06241	1.7
361.07059	39.2
362.07611	3.4
363.08569	20.0
365.06488	5.1
365.10480	2.1
366.30017	3.0
367.08130	5.7
367.30157	1.4
369.11844	3.9
373.06958	13.1
373.11017	2.0
374.07175	1.5
375.04688	1.1
375.08698	7.2
377.06418	7.4
377.10428	1.0
378.07394	4.3
379.08096	37.0
380.08719	1.2
381.09985	1.2
384.30966	4.5
385.31577	3.1
387.08728	2.2
389.06140	2.2
389.10446	2.2
390.07245	2.4
391.08063	60.4
393.09601	6.1
395.07584	2.7
397.09302	1.5
401.10126	3.4
403.08139	7.2
405.09979	2.2
407.07440	9.6
407.12039	1.1
408.08307	3.1
409.09131	49.7
410.09589	1.6
415.08969	1.7
417.09656	2.8
419.07224	1.9
421.09222	10.6
425.08820	1.7
426.09384	1.3
427.10217	26.9
429.09598	3.5
431.07553	3.2
433.09152	3.9
435.11331	1.2
439.10300	12.9
445.09412	2.6
447.10715	6.0
449.08539	2.3
451.10052	1.1
457.11304	15.8
463.10291	10.4
465.12125	2.5
469.11154	1.2
475.10257	20.6
481.11298	58.0
482.11365	2.5
493.11279	65.0
494.11368	1.7
511.12335	100.0
512.12329	3.5
528.35016	1.9
529.13348	25.0
529.35339	1.6
546.36383	22.4
547.14319	3.5
547.35577	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.145
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
53.03938	1.0
55.01883	5.0
55.05507	1.7
57.03431	1.8
59.04993	2.2
61.02903	0.8
65.03946	1.8
65.67295	0.8
67.05499	2.7
69.03412	3.9
69.07069	1.4
70.06584	3.7
71.04971	1.4
72.08150	3.0
79.05500	3.0
81.03404	2.5
81.07049	2.9
83.01336	0.9
83.04977	1.4
84.08124	1.6
85.02888	7.3
86.09705	2.0
87.04464	2.0
88.71186	0.7
91.05479	3.8
91.61533	0.7
93.03398	1.9
93.07036	2.6
95.04975	1.5
95.08601	2.2
97.02876	2.9
97.06531	1.8
98.09694	5.7
98.23469	1.4
99.04463	2.9
99.08109	1.8
103.03947	3.5
103.05460	1.0
105.07040	2.6
107.04958	3.5
107.08601	1.1
109.02888	2.7
109.06506	1.7
109.10164	1.3
119.04929	11.1
119.08534	1.1
121.02862	36.4
121.06543	1.3
121.10145	2.9
123.08083	1.2
124.82750	0.8
127.03902	6.6
129.10197	0.9
131.04961	1.1
135.04419	1.1
135.11684	1.0
142.12288	3.3
145.02858	3.7
145.04976	3.4
145.10130	1.4
147.04401	3.5
147.11685	2.6
151.03943	1.1
159.04346	1.8
161.02374	1.5
163.03888	2.4
163.05975	2.5
165.01874	2.2
167.10626	0.9
173.02429	1.0
175.03903	6.4
176.01093	1.0
177.01830	4.1
177.05423	0.9
179.03386	4.1
186.14929	1.0
187.03912	2.7
189.01837	8.8
189.05391	2.2
191.03368	5.8
193.04837	0.9
195.02890	6.1
199.03972	2.4
201.01831	1.1
201.05511	1.2
203.03372	18.2
203.05255	1.5
205.05002	3.5
205.12141	1.0
205.15930	1.5
207.02888	8.3
207.06494	5.9
209.04443	1.7
213.05359	1.4
215.03419	13.6
217.04869	5.3
219.02963	4.0
221.04501	4.9
223.16953	1.8
227.03481	3.3
229.04962	3.1
231.02847	3.8
233.04434	5.6
241.04965	2.0
241.18030	3.8
243.02835	6.7
243.06609	1.2
245.04468	2.6
255.02902	2.0
255.06488	1.9
257.04453	2.3
261.03885	1.4
263.07083	1.3
266.05740	1.5
267.06607	2.7
268.07144	4.7
269.04333	1.0
271.05957	1.1
273.04007	2.2
279.06555	3.5
280.07245	2.5
281.08124	2.4
283.05972	18.6
284.06732	2.4
291.06537	1.7
292.07364	3.6
293.08075	5.9
294.05304	10.0
294.08539	1.6
295.05991	74.3
296.06689	6.9
297.07510	15.5
297.10611	1.3
298.08267	1.2
304.07230	1.4
305.08139	3.2
306.08792	2.0
307.06006	57.5
307.09473	2.9
308.06723	17.3
308.10040	1.6
309.07538	28.4
310.04639	1.2
310.08173	2.0
311.05521	1.3
312.06195	5.8
313.07169	2.2
317.07999	6.5
319.05963	8.9
320.06790	8.9
321.07547	60.4
322.04614	1.7
322.08069	9.5
323.05423	4.7
323.09183	8.9
324.06259	2.8
325.07031	58.1
326.07730	3.7
328.18762	1.1
329.07993	3.2
331.05991	1.6
333.07532	42.2
334.08206	8.1
335.05472	6.7
335.09177	18.0
336.06149	5.5
337.07028	32.3
338.07480	2.1
339.08575	2.3
344.06894	1.3
345.07523	13.0
346.08020	1.1
347.05396	2.2
347.09195	5.0
348.06039	1.7
348.28500	1.0
349.07040	48.3
349.10269	2.1
350.07739	6.9
351.08585	19.8
353.06424	6.9
355.07910	1.2
357.07425	1.5
359.09207	1.9
360.06192	2.0
361.07028	40.0
361.10587	1.4
362.07657	2.8
363.08612	20.3
364.08878	1.0
365.06262	4.2
366.29700	1.1
367.08148	5.5
367.28217	1.9
373.06998	13.8
373.11121	1.4
375.08600	9.5
377.06274	8.5
377.10251	1.8
378.07309	3.6
379.08078	35.9
379.12933	1.8
380.08505	1.8
381.09653	1.8
384.30933	4.3
385.06854	1.9
385.31427	1.4
387.08624	2.2
389.06146	1.3
389.10406	2.2
390.07281	1.7
391.08078	69.1
392.08554	3.1
393.09665	5.4
395.07526	2.2
397.08939	1.7
401.05899	1.3
401.10376	3.3
403.08060	7.8
405.09735	3.4
407.07330	10.0
408.08371	3.7
409.09164	43.3
413.06494	1.2
415.09363	2.0
417.09879	3.1
419.07449	2.6
419.11972	1.9
421.09290	9.4
425.08676	1.9
426.09491	2.6
427.10223	19.8
429.09589	4.1
431.07324	1.6
433.09399	3.2
435.10681	3.7
439.10144	10.1
445.09354	3.2
447.10663	5.6
449.08606	1.5
451.10196	1.8
457.11340	15.6
458.11612	1.1
463.10153	14.8
465.11896	1.7
467.95792	0.9
475.10187	16.2
481.11270	88.4
482.11664	3.2
493.11282	58.7
494.11490	1.4
511.12341	100.0
512.12634	2.9
528.35315	1.7
529.13422	30.2
546.36505	13.6
547.15125	8.7
547.34570	80.7
548.37994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
57.03437	1.3
61.02927	3.4
65.03944	1.2
68.99799	1.0
69.03452	1.0
70.06620	0.9
70.17894	1.1
70.18223	0.6
73.02929	1.5
81.03420	1.4
82.67311	0.6
84.23534	0.5
85.02900	4.0
85.32552	0.5
86.72357	0.5
91.05507	2.0
93.03397	1.4
95.04985	0.6
97.02908	1.5
103.03969	1.4
103.05467	0.9
105.07005	0.7
107.04939	3.7
109.02905	2.0
111.00809	0.7
111.04475	0.8
119.04929	9.5
119.05692	0.6
121.02860	42.9
121.06536	1.4
127.03900	0.7
131.04953	0.9
133.02859	0.7
133.06560	0.7
135.04439	1.8
139.03934	0.9
141.01894	0.7
145.02847	5.6
145.06483	0.5
147.04448	2.4
149.06000	0.9
151.03954	0.7
155.04942	0.9
157.36156	0.6
159.04448	1.6
161.02304	1.2
161.05978	1.0
163.03905	2.2
165.01823	0.9
171.04424	1.9
173.02370	0.9
173.06020	1.2
175.03908	2.4
177.01845	3.1
177.05516	0.9
179.03403	1.4
181.04974	0.6
183.02878	0.6
185.05969	1.5
187.03876	3.8
189.01814	7.3
189.05493	1.5
190.02510	0.7
191.03351	3.2
193.05118	0.7
195.02878	6.5
197.06059	1.0
199.03886	3.1
201.01833	1.4
201.05478	2.1
202.02628	0.7
203.03383	21.2
203.08553	0.5
205.04979	3.3
207.02841	5.9
209.04416	1.2
211.03952	0.9
212.04730	0.6
213.01770	1.0
213.05312	1.2
215.03369	8.3
215.06821	0.8
217.04939	7.1
218.37300	0.6
219.02943	2.6
219.06540	1.3
221.04445	5.9
225.05621	1.2
227.03304	3.1
229.04944	2.9
231.02895	3.5
233.04370	4.7
239.03423	1.0
241.04886	3.0
243.02928	5.1
243.06668	1.3
245.04453	2.5
245.36850	0.6
251.07037	1.1
253.04906	1.0
254.05772	1.0
255.02882	2.4
255.06644	1.1
257.04401	1.2
259.05908	0.6
261.03931	2.0
263.06992	0.7
265.04941	0.9
265.08511	0.8
266.05591	1.1
267.06528	2.3
268.07330	2.2
269.04532	1.9
271.06067	1.9
273.03952	3.2
277.08585	1.1
279.06500	4.7
280.07278	1.5
281.04666	1.1
281.08115	3.2
282.05322	1.2
283.05933	7.2
284.06842	0.7
285.03860	1.0
289.05099	0.6
289.08450	1.0
291.06699	1.3
292.07214	2.5
293.04681	0.9
293.07977	6.4
294.05200	7.6
294.08429	1.1
295.05997	81.5
296.06534	6.3
297.04218	1.1
297.07401	4.8
303.06476	0.8
304.07367	0.7
305.08017	3.7
306.08948	2.1
307.06003	42.4
307.09366	1.7
308.06766	16.4
309.03894	1.6
309.07513	17.5
310.07910	0.6
313.07147	2.0
317.08133	4.9
318.08902	1.3
319.06021	4.5
319.09714	1.3
320.06754	8.6
321.07538	59.1
322.04614	1.4
322.08249	10.4
323.05411	3.3
323.09137	7.0
325.07050	42.9
326.07306	1.4
329.08112	4.1
331.06180	2.6
331.09473	0.7
332.06589	0.7
333.07535	29.0
334.08206	5.3
335.05545	2.0
335.09082	27.7
336.06232	4.2
336.09433	1.0
337.07031	30.8
338.07489	1.6
339.04953	1.1
339.08499	3.5
343.09625	1.9
345.07526	16.6
346.08273	2.2
347.05304	1.0
347.09079	9.8
348.06024	1.0
348.09900	0.7
349.07031	61.1
349.10339	2.5
350.07654	3.3
351.08600	23.8
353.06726	0.6
355.08197	0.8
357.07489	1.7
357.11444	0.7
358.08569	1.1
359.09088	6.2
361.07001	32.7
361.10684	2.3
362.07642	3.1
363.08603	24.8
363.13232	1.0
364.09061	1.0
365.10196	2.3
367.08066	8.4
371.09012	2.1
373.06958	14.3
374.07730	1.7
375.08591	18.4
376.08939	0.9
377.06161	1.2
377.10263	2.6
379.08075	66.4
380.08499	2.6
381.09735	0.9
383.08566	0.7
385.08469	0.9
386.07507	0.9
387.08615	13.7
389.06198	1.3
389.10583	3.4
391.08066	47.0
392.08591	2.3
393.09665	2.7
397.09219	6.4
399.08655	2.3
401.06238	0.6
401.10330	6.4
403.08099	17.9
404.08765	0.9
405.09689	5.5
407.07379	0.7
409.09146	65.5
410.09348	2.1
415.07938	13.4
416.08188	1.1
417.09674	4.5
419.11395	1.4
421.09265	5.8
427.10248	94.6
428.10550	3.6
429.09485	3.7
433.09201	24.9
434.09445	1.3
435.10687	1.0
439.10208	4.3
445.09140	10.4
447.10599	1.0
451.10184	10.4
457.09857	6.7
458.10123	0.8
463.10165	12.6
469.11307	11.8
470.10876	0.7
475.10242	9.9
481.11276	47.6
482.11523	1.7
493.11282	22.5
499.12317	31.5
500.12460	2.4
511.12329	100.0
512.12793	4.2
529.13391	52.8
530.13776	2.5
547.14203	23.9
548.14667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01877	4.0
55.05495	0.5
57.03443	3.0
61.02929	3.2
63.14815	0.4
65.03918	1.8
67.05472	1.2
68.99764	1.0
69.03426	3.4
69.49188	1.8
70.06596	2.5
71.04977	0.7
72.08133	1.2
73.02885	1.5
79.01818	0.4
79.05475	1.0
80.54956	0.4
81.03425	3.7
81.07014	1.2
82.23498	0.4
83.01330	0.6
84.04532	0.5
84.08112	1.4
85.02905	13.8
86.09677	1.0
91.03922	0.7
91.05473	3.2
93.03422	1.0
93.07042	2.4
95.04955	2.0
95.08585	0.5
97.02348	0.5
97.02899	5.5
99.03860	0.6
99.04453	5.5
100.53489	0.4
103.03940	8.4
103.05465	1.0
105.07033	2.3
107.04972	4.3
107.08546	1.4
109.02250	0.5
109.02881	4.9
109.06491	1.6
109.10116	1.7
110.09636	0.8
111.04393	1.0
115.05402	0.6
117.03391	0.8
117.06959	1.1
119.04932	9.8
119.08537	1.3
120.08093	0.7
121.02866	49.2
121.03757	1.7
121.06487	3.7
121.10160	1.1
122.03140	0.6
123.04422	0.7
123.08033	0.7
123.43467	0.4
127.03033	0.6
127.03919	10.7
128.10680	2.0
129.07002	1.1
129.10201	0.5
131.04872	1.1
131.08557	0.8
131.20766	0.4
133.06441	1.1
133.10106	1.2
135.04387	1.6
135.08058	1.0
135.11668	0.7
137.05939	0.5
137.08589	0.5
137.09612	9.4
139.03920	0.5
143.04826	1.0
145.02850	4.5
145.04951	5.5
145.06471	0.9
145.10031	0.9
147.04391	2.3
147.08015	0.5
149.05989	4.8
149.09592	1.3
149.13278	0.5
155.04811	0.8
157.06422	0.8
157.09984	0.5
159.04428	2.2
159.11667	1.8
161.02327	1.3
161.05956	1.7
161.09584	0.7
162.03093	0.5
163.03883	2.9
163.05978	3.3
163.11102	0.5
165.01823	0.6
169.06450	0.7
171.04411	1.4
173.02264	0.7
173.06018	2.0
174.03094	0.4
175.03954	2.7
175.11151	1.3
177.01836	5.1
177.05408	1.2
177.12672	2.0
179.03430	2.1
183.02892	0.6
183.04390	0.8
185.05936	1.7
187.03880	4.0
187.11118	1.2
189.01823	7.9
189.05418	1.3
190.02597	1.2
191.03381	4.1
193.04956	0.7
193.12241	0.7
195.02896	7.9
195.04491	0.8
195.13815	0.8
197.06010	1.2
199.03903	2.2
201.01848	1.2
201.05469	4.4
202.02603	0.6
203.03381	28.9
204.03999	1.0
205.04967	4.1
205.06877	0.7
205.12234	4.5
207.02882	7.9
207.06276	0.6
208.03548	0.5
209.04408	0.7
210.18774	0.4
211.03864	1.3
213.01854	0.6
213.05457	2.3
215.03389	8.1
215.06923	0.5
217.04947	8.1
219.02911	2.9
219.06493	1.3
221.04431	6.7
223.03894	0.5
223.05801	0.7
223.13281	8.1
225.03580	0.5
225.05472	1.6
227.03387	3.1
227.06882	0.9
228.04050	0.7
229.04958	6.5
231.02873	2.9
231.06572	1.1
233.04414	5.8
235.05945	1.4
237.05447	0.9
239.03348	1.7
239.07016	0.5
240.04228	0.6
241.04953	3.8
241.14372	1.6
243.02893	3.1
243.06523	1.4
245.04340	2.2
247.02225	0.7
247.05919	0.8
251.07037	1.2
252.07742	0.5
253.04987	1.2
254.05794	0.6
255.02843	3.5
255.06512	1.5
256.03397	0.6
257.04495	2.7
259.05936	0.9
261.03799	2.0
263.07086	0.6
265.04950	1.2
265.08524	0.6
266.05692	0.7
267.03329	0.8
267.06531	2.5
268.07251	3.6
269.04422	4.1
269.07126	0.6
270.05231	0.5
271.05945	1.2
273.04010	2.4
277.08521	1.4
279.06549	6.9
280.07339	2.4
281.04507	1.3
281.08078	3.9
282.05148	1.2
283.05994	8.2
284.06653	1.3
285.03940	2.2
289.08725	1.2
291.06741	2.2
292.07333	2.8
292.10269	0.7
293.04837	0.6
293.08063	7.9
294.05200	7.7
294.08823	2.5
295.06003	96.7
296.06674	8.4
297.03986	1.5
297.07565	7.1
301.08575	0.6
303.06451	0.5
304.07227	1.4
305.08032	4.2
306.08817	1.7
307.06009	55.4
308.06754	28.0
308.10364	0.6
309.04056	1.9
309.07523	21.2
310.08182	0.6
311.05417	0.7
313.06976	3.5
317.08054	5.7
318.08801	2.0
319.06009	4.1
319.09622	1.8
320.06763	6.2
321.07556	75.4
322.08289	21.5
323.05453	2.6
323.09018	10.7
324.06149	0.6
325.07050	76.8
326.07452	1.8
329.08160	3.6
331.06015	1.4
331.09698	1.7
332.06845	1.0
333.07553	33.9
334.08212	3.8
335.05457	3.6
335.09082	26.2
336.06201	4.8
336.09729	0.9
337.07043	35.3
337.10312	1.3
338.07513	1.3
339.04926	0.9
339.08679	2.8
341.08289	0.6
343.09488	1.5
344.06964	0.7
345.07571	9.0
345.11682	0.7
346.08286	4.2
347.05521	1.1
347.09137	19.7
348.06226	1.1
349.07047	69.3
349.10519	3.3
350.07675	5.0
351.08597	45.9
352.08820	0.9
353.06448	0.8
355.08334	1.4
357.07401	2.6
358.08127	0.6
359.04965	0.8
359.09137	7.3
360.06155	1.2
361.07013	34.1
361.10739	2.4
362.07629	1.8
363.08612	19.3
364.09097	0.6
365.06039	0.8
365.10229	10.2
367.08060	8.9
367.12296	0.7
371.09106	1.4
373.06973	10.6
373.10803	1.0
374.07770	2.2
375.08646	23.3
376.09204	0.8
377.06256	1.8
377.10236	7.1
379.08096	100.0
380.08609	3.5
381.09735	3.2
383.09021	0.9
385.07294	3.4
387.08615	16.2
387.13583	0.9
389.06253	1.1
389.10486	5.0
391.08051	30.7
392.08655	1.4
393.09576	2.4
397.09183	40.6
398.09424	1.2
399.08630	1.7
401.10309	4.4
403.08102	30.1
404.08466	1.6
405.09692	18.3
405.14175	0.4
406.09848	0.7
407.07587	0.7
409.09158	39.6
410.09595	1.7
415.09329	17.2
416.08752	0.6
417.09625	3.1
419.11472	4.4
420.11435	0.5
421.09171	13.7
423.10855	0.9
427.10318	27.6
428.10733	1.0
429.09592	3.2
431.07809	0.8
433.09186	35.2
434.09366	1.3
437.12204	0.6
439.10272	12.0
445.09113	11.9
446.10126	0.5
447.10956	1.7
451.10239	49.2
452.10577	1.8
457.11298	37.2
463.10239	7.1
465.11624	0.9
469.11301	77.1
470.11713	2.6
475.10159	8.2
481.11313	41.0
482.11383	1.3
493.03912	0.7
493.11249	20.3
499.12347	34.3
500.12634	1.2
511.12332	45.5
512.12744	2.2
529.13409	38.5
530.13800	1.3
547.14410	42.4
548.14825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93256	0.2
69.41886	1.1
70.06596	0.4
72.61518	0.2
80.38021	0.2
85.02921	0.4
95.01093	0.3
110.07262	0.3
127.03897	0.3
156.75775	0.2
170.03406	0.6
173.05791	0.3
185.04198	3.9
187.03648	18.4
188.04424	4.1
189.05237	0.4
201.05267	0.4
225.45230	0.2
227.46123	0.3
228.98747	0.3
286.76004	0.2
321.51508	0.2
350.09711	5.0
351.10248	0.4
355.38657	0.2
363.10886	0.3
363.16843	0.2
381.68375	0.3
385.12540	7.0
385.17203	0.4
426.01346	0.3
471.21118	0.3
499.16003	0.5
547.17828	100.0
548.18311	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	547.179
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36985	0.3
70.37329	0.3
71.18458	0.2
73.52916	0.2
85.02918	0.2
120.71502	0.3
121.02843	0.6
125.02119	0.3
149.45686	0.3
169.04808	0.3
170.03383	0.5
173.05635	0.3
185.04243	4.0
187.03670	18.0
188.04411	3.7
203.03473	0.3
241.16232	0.2
295.05948	1.3
307.05975	0.7
309.07397	0.3
321.07632	0.7
325.07086	0.8
330.07745	0.3
335.09384	0.4
349.07208	0.7
350.09720	4.6
351.10254	0.8
361.07416	0.3
379.08182	1.0
385.12589	6.4
387.08670	0.3
391.08179	0.6
409.09131	0.9
427.10236	1.1
481.11420	0.8
511.12418	1.8
529.13550	0.5
547.17859	100.0
548.18250	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	547.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01874	8.5
57.03443	2.4
59.05008	1.0
61.02933	3.9
64.41441	0.7
65.03960	1.7
67.05512	0.9
68.99806	1.2
69.03426	4.6
69.83450	1.4
69.83813	1.5
70.06599	2.2
73.02934	2.7
77.03907	0.8
79.05534	1.1
81.03409	5.2
81.07062	0.9
83.04984	1.6
85.02098	0.7
85.02910	15.6
86.09712	0.8
87.04527	0.8
89.08050	0.7
91.05467	3.8
93.03445	1.2
93.07047	8.8
95.04997	2.3
95.08617	0.7
97.02895	7.4
99.04453	6.7
103.03944	14.0
103.05492	1.5
105.07061	3.0
107.04951	4.9
107.08633	1.8
108.02025	0.7
109.02885	5.2
109.06526	1.7
111.04455	1.6
113.06030	0.9
117.07058	0.9
119.04934	11.7
119.08620	2.0
121.02867	49.5
121.06500	16.1
121.10184	1.9
122.03215	0.9
127.03918	16.5
127.07587	1.1
128.10684	0.8
129.07039	1.1
131.04965	1.0
131.08591	1.0
133.06500	1.2
135.04457	1.9
135.08095	1.1
135.11755	0.9
137.09663	2.4
139.07596	0.9
145.02873	6.0
145.04942	8.9
145.06180	0.8
145.06412	0.7
145.10165	1.6
147.04442	2.4
149.05984	1.9
149.09630	11.2
151.03911	1.0
155.04834	1.2
157.10204	1.5
159.04460	2.7
159.11731	2.8
161.02356	0.9
161.06068	1.2
163.03954	2.5
163.06009	4.8
163.11211	1.6
165.01909	1.2
171.04454	1.5
172.08893	1.7
173.06042	1.7
175.03857	3.7
175.11182	6.5
177.01778	3.4
177.05469	1.6
177.09019	0.7
177.12778	2.4
177.47707	0.7
179.03444	2.0
183.04367	0.9
185.06050	0.9
187.03981	4.1
187.06116	0.9
187.11137	4.5
189.01848	8.0
189.05504	2.0
190.02638	2.4
191.03378	3.9
193.12215	1.8
195.02896	6.1
197.06110	1.3
199.03946	3.6
201.05472	3.6
203.03395	30.3
204.03970	1.5
205.05049	3.7
205.12242	10.5
207.02872	7.0
211.03960	1.2
213.01797	1.3
213.05504	1.6
215.03387	11.3
217.04932	8.1
219.02902	2.3
219.06534	1.7
221.04419	7.8
223.03853	0.7
223.13292	32.3
224.13631	0.7
225.05670	1.5
227.03378	4.2
229.04974	5.0
231.02972	3.3
233.04443	5.9
239.07011	0.9
241.05046	3.2
241.14395	1.1
243.02901	4.9
243.06552	2.0
245.04424	3.4
251.07289	1.1
252.07913	0.9
253.04990	1.0
255.03011	2.6
255.06702	0.8
257.04550	1.7
261.03918	1.5
267.06589	1.9
268.07361	2.4
269.04538	2.3
271.06000	1.7
273.04022	2.9
273.19208	0.9
277.08801	1.0
279.06488	6.2
280.07367	1.6
281.04587	2.1
281.08261	3.4
283.05994	8.8
285.03903	1.0
289.08585	0.9
291.06610	1.7
292.07352	2.9
293.08121	7.2
294.05289	4.7
294.08823	2.4
295.06018	84.8
296.06601	8.5
297.04419	1.3
297.07523	5.6
304.07291	0.8
305.08124	4.5
306.08847	2.2
307.06024	45.5
307.09521	2.4
308.06735	21.4
309.03986	2.7
309.07507	22.2
310.08221	1.2
313.07236	2.9
317.08105	6.4
318.08813	1.2
319.06091	4.5
319.09506	1.3
320.06766	9.5
321.07565	72.8
322.04623	1.6
322.08252	14.5
323.05515	2.4
323.09232	9.1
325.07062	49.1
326.07581	2.9
329.08060	5.6
330.08820	0.9
331.05975	3.1
333.07565	33.5
334.08270	6.3
335.05542	1.9
335.09109	31.0
336.06308	5.5
336.09839	1.7
337.07043	28.7
338.07288	1.6
339.05048	1.2
339.08566	3.4
343.10019	1.3
345.07550	18.4
346.08237	3.7
347.05115	0.9
347.09167	15.7
348.06039	1.5
348.09860	1.0
349.07050	74.8
350.07574	5.7
351.08615	34.1
352.09064	2.0
355.08585	1.0
357.07730	1.1
358.08347	1.4
359.09213	6.3
361.06982	34.6
361.10846	5.1
362.07684	2.8
363.08618	28.6
363.13251	1.0
364.09293	1.0
365.06131	1.1
365.10306	2.5
367.08087	8.5
371.09027	2.2
373.06973	16.6
373.10873	1.8
374.07877	2.0
375.04858	1.1
375.08658	22.7
376.08994	1.6
377.06470	1.8
377.10403	3.2
379.08093	71.7
380.08524	4.8
381.09665	2.1
385.08459	1.6
387.08652	13.1
388.08749	0.9
389.10455	7.0
391.08102	56.3
392.08545	3.3
393.09869	2.9
397.09299	8.4
399.08710	3.9
401.10367	5.7
403.08112	23.1
404.08667	1.8
405.09616	8.6
409.09177	71.8
410.09268	3.4
411.08627	0.9
415.07999	18.1
416.08276	1.5
417.09628	6.9
419.11215	2.2
421.09235	8.0
423.11096	0.9
427.10275	99.1
428.10693	5.4
429.09814	3.2
433.09174	26.9
434.09827	1.3
435.10971	2.6
439.10477	4.3
445.09109	12.5
447.10754	1.5
451.10214	10.2
457.10440	8.9
463.10275	17.5
464.10608	1.3
469.11346	14.8
470.11697	0.8
475.10339	9.2
481.11316	69.2
482.11523	4.5
493.11343	20.4
494.11835	1.1
499.12363	56.5
500.12570	2.8
511.12357	100.0
512.12482	5.8
529.13434	53.8
530.13824	3.7
547.14459	33.3
548.14764	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45604	1.3
53.03949	5.8
55.01880	7.5
55.05513	3.3
57.03418	6.1
59.93328	1.4
61.02929	5.9
61.21159	1.2
65.03942	1.6
67.05505	5.2
68.99789	1.7
69.03428	19.3
69.07074	2.9
69.13992	8.3
70.06586	6.0
71.04990	4.0
72.08149	2.1
73.02916	3.2
79.05492	5.0
79.75143	1.2
81.03413	16.4
81.07066	3.5
81.42749	1.3
83.04992	5.4
83.58099	1.4
84.08132	2.0
85.02906	75.6
86.09716	4.5
91.05482	11.4
93.03432	2.1
93.07038	11.1
95.04970	7.1
95.08589	3.2
97.02896	32.1
97.06557	2.1
99.04456	36.3
103.03944	82.2
103.05442	2.9
105.04484	1.2
105.07040	12.6
107.04980	5.5
107.08594	12.3
109.02885	22.0
109.06527	10.4
109.10181	8.8
111.04459	1.5
111.08136	2.8
111.28442	1.5
115.03941	1.6
117.07052	5.2
119.04928	7.8
119.08591	9.6
121.02876	27.7
121.06505	15.9
121.10146	7.8
123.08098	4.9
127.03916	100.0
127.08646	1.3
128.10724	3.4
129.07167	1.4
131.04959	1.7
131.08574	3.9
133.06538	1.5
133.10149	9.7
135.04485	1.6
135.08081	7.3
135.11684	3.7
137.06017	1.7
137.09618	77.7
141.07013	1.3
144.09319	2.8
145.04962	67.0
145.10147	6.8
147.04501	2.0
147.08110	3.9
147.11671	1.8
149.05986	36.4
149.09633	4.7
149.13266	2.0
151.07579	3.5
157.10095	2.3
159.04460	1.4
159.11713	16.6
161.09639	10.9
163.06023	37.4
163.07269	1.7
163.11200	3.6
167.06999	1.7
172.08830	2.7
175.03954	3.0
175.11153	9.0
177.01823	2.7
177.12772	12.8
179.03476	1.7
179.10658	1.8
187.04008	2.2
187.06067	5.6
187.11177	10.9
189.01828	4.8
189.05458	1.8
191.03322	2.1
193.12291	5.4
195.02872	3.0
195.13802	4.6
199.03915	1.7
201.05473	1.6
203.03398	17.8
205.05080	2.8
205.07141	4.8
205.12238	53.7
207.02972	4.3
215.03389	3.8
217.04994	4.4
219.03052	1.9
219.06467	1.6
221.04506	4.7
223.13297	59.2
224.13730	1.9
229.04961	3.9
231.02777	1.2
233.04515	3.4
241.05075	1.8
241.14316	19.8
243.02956	3.2
251.69066	1.5
255.02791	2.7
257.04504	2.9
261.03796	1.9
262.79645	1.5
267.06577	3.1
268.07202	2.7
271.08023	8.6
279.06516	5.0
280.07355	1.6
281.08188	2.8
283.06055	5.5
285.04041	2.6
289.09070	5.6
292.07004	1.8
293.08121	5.9
294.05466	6.0
294.08417	1.3
295.06030	65.3
296.06674	7.7
297.07590	3.9
304.07458	1.4
305.08133	1.6
307.06052	40.2
307.10104	10.0
308.06778	15.8
309.04211	1.9
309.07532	16.2
313.07230	2.0
314.38025	1.4
317.08160	3.5
319.05984	2.4
320.06720	4.1
321.07574	49.0
321.11362	2.6
322.08237	11.9
323.05667	2.7
323.08939	6.2
325.07074	52.9
333.07559	18.6
334.08124	3.4
335.09091	15.3
336.06232	5.3
337.07071	24.7
337.10703	1.6
338.07568	1.8
345.07529	5.9
346.08200	1.9
347.09106	13.0
349.07068	50.0
349.10504	2.5
350.07596	4.2
351.08609	28.9
352.08871	2.3
355.08865	1.4
357.07584	2.1
359.09213	5.1
361.07068	23.4
361.11163	1.2
363.08710	13.8
365.10306	7.2
367.08209	5.9
373.07050	7.4
375.04330	2.1
375.08643	16.9
377.10214	3.2
379.08096	80.4
380.08551	4.9
383.09464	1.5
385.07077	2.3
387.08716	9.8
389.10284	3.7
391.08084	24.3
393.09717	2.3
397.09174	38.3
398.09561	2.2
401.10144	2.7
403.08093	25.0
405.09674	13.0
409.09158	33.2
415.03546	1.7
415.09650	12.7
417.09750	2.9
419.11179	4.5
421.09088	9.0
427.10352	25.7
428.10870	1.7
429.09708	3.6
433.09192	29.6
439.10172	10.6
445.08966	9.2
451.10205	46.8
457.11374	29.9
458.11697	2.1
463.10223	6.5
469.11298	75.0
470.11505	2.7
475.10068	6.7
481.11249	36.0
482.11725	2.2
493.11292	19.0
499.12363	34.2
500.12585	1.9
511.12399	44.3
512.12659	3.9
529.13434	39.5
530.13843	2.8
547.14343	40.8
547.32050	2.2
548.14606	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	547.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	12.3
57.03438	3.1
57.07064	2.3
60.64124	2.2
61.38329	2.2
62.51439	1.9
66.57669	1.9
67.05503	8.7
69.07066	6.0
69.19392	3.2
69.19800	8.6
79.05504	2.2
81.07047	9.4
91.27203	2.3
93.07036	2.8
95.08611	7.6
97.12955	2.2
136.93121	23.8
154.94165	66.7
170.45815	2.2
172.95245	73.0
177.95781	3.5
190.96286	23.2
195.96919	7.4
204.25024	2.0
210.97752	100.0
213.97906	3.7
228.97830	36.5
233.18713	2.0
246.98891	13.1
319.19440	29.4
337.20523	33.9
337.27182	11.5
341.14078	2.4
360.22064	6.5
393.23035	3.3
404.96603	2.4
417.17081	3.5
455.18686	12.4
465.20502	2.3
473.12924	4.4
473.19769	69.0
474.20367	2.6
491.14209	2.3
491.20697	12.9
496.21298	8.1
547.23755	83.3
547.32367	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	548.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01883	3.0
55.05521	4.0
57.03440	4.7
58.06603	2.5
59.05035	1.4
61.02938	1.9
63.58881	1.5
67.05513	5.2
69.03433	17.4
69.07074	4.7
69.09635	11.1
70.06597	17.8
71.05009	4.5
72.08163	5.8
73.02922	1.8
77.26050	1.4
79.05473	9.9
81.03421	8.1
81.07050	9.7
82.06581	5.8
83.05006	2.2
83.08615	2.0
84.08141	3.9
85.02907	100.0
86.09705	12.9
88.07674	1.6
91.05493	19.6
93.07051	19.6
95.04978	7.7
95.07380	3.0
95.08613	11.8
97.02893	17.6
97.06534	7.3
98.09701	5.4
99.04459	27.6
99.08144	2.3
103.03362	1.1
103.03951	66.7
105.07035	10.8
107.08599	96.6
108.08140	5.3
109.02869	10.7
109.06543	4.9
110.09682	42.6
110.10428	2.1
111.08115	2.4
112.08752	3.4
112.40244	1.5
117.07039	2.2
119.06078	2.4
119.08575	8.0
120.08100	3.0
120.16235	1.5
120.22471	1.6
121.02888	1.7
121.06505	3.5
121.10159	11.2
123.11747	8.2
125.05984	2.0
127.03924	70.1
127.04874	3.6
128.10707	8.4
129.06996	2.2
131.08569	56.7
133.10184	4.6
135.08066	1.6
137.09641	6.4
142.12344	2.1
144.10233	7.1
145.04967	48.2
145.10168	4.9
147.11674	15.1
149.09628	20.7
161.13300	3.1
163.06018	58.0
165.12773	4.6
170.11761	68.8
171.11700	4.5
175.14932	2.9
179.04878	1.9
187.06036	1.9
189.12740	37.1
199.18027	1.7
199.51529	1.9
205.07088	3.8
205.12230	2.4
207.13808	86.3
209.11757	3.3
223.13280	2.2
225.15094	2.4
225.17174	4.3
232.67146	1.6
271.08148	8.6
289.09290	11.9
295.06085	3.0
296.06476	3.3
307.06644	3.4
307.10156	21.4
310.08026	2.5
321.07379	3.3
322.08029	2.3
326.07516	2.8
326.27148	2.2
350.07306	2.6
351.18097	3.9
368.27753	2.3
368.31802	2.5
379.08228	2.2
380.08374	3.0
386.28699	2.4
386.32767	4.2
387.12399	2.0
392.08548	3.0
410.09442	2.3
428.10434	2.2
440.10767	2.3
470.11618	2.0
495.13162	2.0
512.12598	6.4
513.23615	3.8
530.14209	2.7
530.33881	2.2
547.36755	2.4
548.15326	2.7
548.35010	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01898	1.3
53.03942	2.2
55.01880	2.5
55.05515	14.0
57.03440	20.8
57.07081	2.6
61.02923	4.3
65.03945	1.6
67.05508	40.7
69.03437	4.5
69.07072	15.1
71.04990	3.7
71.46841	1.7
79.05496	42.0
81.03412	4.2
81.07060	42.4
82.40657	1.9
83.05000	2.3
83.08611	8.5
83.87617	1.6
85.02898	6.3
85.06544	4.6
88.47452	1.4
91.03952	2.8
91.05483	30.5
93.07046	52.6
95.04974	6.1
95.08607	42.6
97.02895	3.6
97.06542	4.4
97.10176	3.3
99.08118	3.6
105.07025	32.6
107.04961	1.5
107.08582	33.2
109.06541	4.3
109.10159	14.3
111.08086	3.5
111.16093	1.5
115.05436	1.5
117.07015	11.7
119.08579	26.8
120.86507	1.7
121.10148	29.9
123.08080	3.2
123.11707	4.6
125.09573	2.2
127.03932	2.0
129.07013	4.6
131.07050	2.8
131.08562	18.3
133.10117	26.5
135.11699	26.4
142.07797	1.6
143.08571	6.5
145.10126	16.1
147.11681	22.5
149.13257	12.1
151.11172	2.4
157.10118	4.6
159.11710	16.6
161.13271	11.9
163.11172	2.1
163.14870	2.1
165.12666	1.5
169.15874	1.5
171.11731	8.3
173.13284	7.1
175.14859	7.1
175.16245	1.5
177.12805	5.3
181.12239	1.7
185.13338	7.7
187.14871	9.7
199.14848	4.7
201.16388	4.0
205.15912	5.3
213.16373	2.2
219.17418	3.5
221.19102	2.0
229.14458	2.6
241.19531	15.5
259.20566	37.7
269.17514	5.5
275.20328	1.7
277.21625	29.4
293.21255	1.6
333.24130	7.7
339.93130	1.6
351.25302	100.0
352.25693	3.2
367.32373	1.7
369.26169	1.7
495.29413	1.9
513.30499	3.6
572.09546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95959	3.0
55.05510	11.1
56.64008	3.0
57.03442	5.1
57.30917	3.1
59.60502	2.8
61.02922	5.2
67.05502	27.0
69.07067	10.2
79.05484	40.0
81.07055	28.8
83.08631	3.5
85.02930	6.2
91.05469	36.6
93.07038	53.4
93.07579	3.1
95.04987	9.0
95.08594	20.8
99.08060	4.3
105.07034	46.2
107.08598	26.3
109.10184	8.7
117.07049	10.2
119.08591	32.6
121.10110	21.3
129.07019	8.9
131.08553	15.7
133.10132	32.4
135.11674	19.8
143.08531	6.4
145.10132	11.6
147.11696	28.0
149.13272	12.6
157.10115	6.1
159.11700	13.7
161.13277	18.6
163.14809	4.7
171.11742	10.2
173.13290	7.6
175.14844	10.1
176.63304	3.3
185.13239	8.1
199.14827	5.7
213.16231	3.2
231.21056	3.2
241.19557	21.9
259.20593	66.3
277.21616	4.0
301.21802	4.1
351.25256	100.0
479.35535	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	548.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
55.05515	16.1
57.03440	16.3
61.02918	5.2
65.03942	2.7
67.05509	39.3
69.03413	1.9
69.07070	14.0
69.92296	4.7
71.04990	3.8
73.02919	2.2
79.05494	37.2
81.03407	2.7
81.07061	42.7
83.04972	2.4
83.08627	11.3
84.91179	1.5
85.02891	5.9
85.06548	3.4
87.53663	1.6
91.03951	3.1
91.05488	34.2
93.07048	52.1
95.04971	5.2
95.08608	34.6
97.02889	4.8
97.06568	8.3
97.10162	4.9
98.22725	2.1
99.08087	3.7
105.04508	1.6
105.07035	32.6
107.08595	30.9
109.06522	5.6
109.10164	16.8
111.08088	2.7
117.06978	9.9
119.08586	27.9
121.10153	28.9
123.08047	3.6
123.11754	2.3
125.09628	3.6
129.07042	5.3
131.07054	2.0
131.08571	17.4
133.10138	27.6
135.11707	23.9
137.09679	3.2
143.08559	5.3
145.10130	17.1
147.11705	24.9
149.13260	16.5
151.11177	3.7
157.10155	4.6
159.11707	15.6
159.12961	2.4
160.12012	1.9
161.13274	13.8
163.11150	2.9
163.14821	3.4
171.11664	7.0
173.11732	2.8
173.13280	6.1
175.14812	7.7
175.16223	1.7
177.12747	4.1
179.14322	1.7
184.07443	1.9
185.13223	9.4
187.14818	10.1
199.14865	3.0
201.16364	4.8
203.17810	1.8
205.15996	3.1
219.17317	2.2
221.18887	2.8
224.75824	1.6
226.56027	2.0
229.14368	7.3
231.20929	2.9
241.19568	15.7
259.20602	42.0
269.17447	4.2
277.21671	31.7
320.80408	1.6
329.23755	1.6
333.24390	3.1
351.25320	100.0
352.25732	2.6
369.26373	6.5
477.28821	2.0
513.30249	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02033	1.3
53.03944	2.8
55.01871	7.2
55.05511	15.7
57.03442	4.1
60.44460	1.1
61.02912	4.2
67.05160	2.0
67.05508	34.6
69.03432	1.3
69.07069	20.4
69.98670	2.8
71.04983	2.1
71.16445	1.2
79.05497	28.2
81.03407	1.9
81.07059	39.8
83.04971	4.8
83.08624	13.1
85.02913	5.8
85.06558	2.8
86.35050	1.3
91.05479	29.1
93.07044	34.3
95.04977	5.6
95.08614	25.4
97.02908	3.9
97.06524	15.1
97.10178	3.4
98.23424	1.9
99.08080	3.0
105.07026	23.9
107.08591	22.4
107.91824	1.2
109.06522	3.2
109.10162	14.2
111.08083	4.5
115.02512	1.1
117.07012	6.2
119.08587	26.4
121.06554	1.3
121.10149	19.6
123.08066	2.4
123.11710	3.6
125.09633	2.7
128.06300	1.2
129.07004	5.0
131.08597	10.5
133.10124	19.6
135.11700	16.6
137.09587	2.9
139.11176	1.3
143.08539	3.8
145.10146	9.2
147.08200	1.3
147.11687	22.8
149.09610	2.1
149.13269	8.8
151.11182	3.0
157.10126	3.0
159.11682	10.6
161.13252	13.1
163.11267	2.9
163.14795	3.5
165.12787	4.0
171.11673	7.1
173.11821	1.7
173.13286	4.9
175.14857	6.4
177.12613	1.4
179.14317	5.0
185.13240	3.6
189.12737	3.3
199.14818	3.3
203.14276	1.7
207.13831	1.9
213.16501	1.3
217.19398	1.5
219.17018	1.4
229.14334	14.1
231.21210	3.5
241.19547	10.9
249.22182	2.7
255.19662	1.6
259.20581	32.3
269.17581	3.0
277.21628	38.8
278.22150	1.3
281.17242	1.5
333.24219	2.4
351.25296	100.0
352.25555	3.4
369.26288	10.5
541.98828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73120	0.2
55.05502	1.0
56.05034	1.6
57.07070	0.4
58.06580	1.5
59.07400	0.3
60.08165	18.3
61.81449	0.2
67.05507	2.8
69.07063	1.2
69.32984	1.3
70.06596	0.3
71.07372	7.4
79.05511	0.6
81.07053	2.6
83.08629	0.6
84.28009	0.2
86.09707	52.5
87.10021	0.4
91.05508	0.5
93.07041	0.6
95.08621	2.3
97.66692	0.2
98.98469	4.6
104.10744	100.0
105.11054	0.3
107.08584	0.3
109.10150	0.4
112.17406	0.2
112.50088	0.2
121.10165	0.4
125.00005	30.9
141.72995	0.2
143.01144	0.3
145.02855	0.4
146.03264	0.3
163.01567	0.7
172.03836	0.2
177.05461	0.8
178.05832	0.3
181.02699	0.3
184.07341	95.4
185.07674	0.5
200.06927	0.2
258.11075	1.2
365.30536	0.8
414.09619	0.3
471.28574	0.3
530.36041	8.7
531.36176	0.5
542.18280	0.3
548.37109	37.2
549.37463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90804	0.2
55.92369	0.2
56.05025	0.5
58.06611	0.7
60.07876	0.3
60.08166	6.2
67.05492	0.8
69.77547	0.4
69.77869	0.3
71.07375	3.1
81.07046	0.4
86.09708	27.8
86.69249	0.2
87.10031	0.2
88.75408	0.2
89.43568	0.2
93.07099	0.2
95.08598	0.4
98.98463	3.5
104.10736	2.5
109.99114	0.2
115.40169	0.2
125.00005	19.1
133.16600	0.2
143.01006	0.3
154.94164	0.4
156.66954	0.3
172.95132	0.4
184.07344	100.0
185.07695	0.6
211.29581	0.2
238.40208	0.2
474.20154	0.4
530.35669	0.9
548.37195	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	548.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
56.61937	1.2
57.03433	3.7
57.07070	6.7
61.02914	7.9
67.05499	37.7
69.03444	2.0
69.07054	11.2
71.08630	2.8
79.05486	11.6
81.07055	50.4
83.04969	2.2
83.08620	10.0
85.02905	9.1
85.10163	2.7
91.03972	4.2
91.05479	6.8
93.07056	14.2
95.08600	45.5
97.02888	4.5
97.06536	3.1
97.10161	8.0
105.07012	6.6
107.08575	10.2
109.10143	23.8
111.08131	3.0
111.11734	3.1
113.09646	2.5
119.08591	6.0
121.10143	13.2
121.58028	1.4
123.11700	13.3
133.10118	10.5
135.11711	6.9
136.93117	2.8
137.13266	4.5
141.12750	2.3
145.04947	2.2
146.94659	1.3
147.11681	6.4
149.13275	7.6
151.14833	5.2
153.12811	1.3
154.94205	4.8
155.14221	1.9
161.13252	8.6
163.14772	10.1
165.12758	1.8
165.16351	9.4
172.95242	6.5
175.14809	9.4
179.14435	1.4
179.17928	7.0
189.16377	4.4
190.96233	1.5
210.97694	8.1
214.72327	1.4
228.97754	2.8
245.22630	64.9
246.23193	1.7
263.23694	100.0
264.24091	2.0
265.25507	2.3
266.13461	1.5
281.24643	3.2
320.19968	1.6
337.27332	41.3
355.28351	10.2
474.20026	5.7
492.20935	1.8
524.17896	1.5
548.24396	7.2
548.37720	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	548.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.6
57.03439	3.4
57.07068	6.4
61.02932	7.7
65.03928	1.9
67.05506	41.4
69.07069	14.4
71.08639	3.9
73.02919	1.8
79.05487	12.1
79.21395	1.3
81.07056	55.3
83.08624	13.8
85.02888	7.6
85.06585	1.7
85.10163	1.8
91.03963	6.7
91.05478	9.1
93.07045	15.1
95.08606	45.2
97.02916	3.0
97.06539	3.2
97.10190	8.6
99.08125	3.2
103.03980	1.8
105.07053	3.6
107.08586	10.8
109.10157	28.2
111.11745	2.7
119.08596	8.3
121.10151	16.5
123.08048	2.1
123.11719	13.9
127.03867	2.2
133.10144	8.9
135.11687	10.6
137.13245	5.8
139.36771	1.6
141.12752	3.4
147.11693	7.4
149.13264	8.6
151.14810	7.3
154.94141	1.6
155.14311	3.5
161.13263	10.6
163.14793	9.4
165.16418	11.4
172.95189	2.9
175.14801	9.0
179.17970	5.5
189.16414	3.2
203.17885	2.4
210.97688	1.8
217.19559	1.6
228.98038	1.5
245.22655	69.4
249.37434	1.4
263.23712	100.0
264.24179	2.0
281.24585	1.6
337.27362	62.7
338.27771	2.2
355.28470	10.4
474.20129	2.7
548.23657	3.7
548.38190	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	548.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01881	1.0
55.05511	2.4
56.05059	0.7
57.03439	5.4
57.07081	0.9
58.06598	0.9
58.59056	0.4
61.02924	2.1
67.05502	4.0
69.03429	8.1
69.07063	3.2
69.16637	2.6
70.06586	2.9
71.04967	2.1
71.08643	1.1
72.04520	0.6
72.08153	6.4
72.08518	0.6
73.02917	2.0
79.05488	4.9
81.03407	2.7
81.07057	6.6
83.05001	1.5
83.08616	1.4
84.08146	1.0
85.02903	17.4
85.06527	0.6
85.08952	0.4
85.10204	1.5
86.09731	2.0
87.04493	1.2
87.32986	0.4
91.03993	0.7
91.05481	4.4
92.71767	0.4
93.07047	4.4
93.84890	0.4
95.04987	1.7
95.08602	6.5
95.09148	0.6
97.02898	6.6
97.03484	0.6
97.06532	3.4
98.09692	15.4
98.10301	0.8
99.04458	4.8
99.08095	3.7
101.02425	0.5
102.09206	0.7
103.03938	8.6
105.07025	6.4
107.05003	0.7
107.08579	2.5
109.02869	3.2
109.06545	0.7
109.10141	2.1
111.08073	0.5
113.09653	2.6
117.07030	1.3
119.08575	5.3
120.08129	1.2
121.02879	1.0
121.10130	2.0
123.08080	2.0
123.11749	0.7
124.11323	1.0
125.05999	0.7
125.09662	0.5
127.03909	10.2
131.08521	2.3
131.39023	0.4
133.10115	2.8
135.11754	1.4
142.12265	6.6
143.08595	0.8
145.04936	6.2
145.10184	1.6
147.11745	1.5
149.09616	1.0
149.13272	0.4
151.07576	1.0
157.10170	0.5
159.11748	1.1
161.09694	0.4
161.13298	1.5
163.06023	5.8
171.11668	0.8
173.13237	0.6
175.03943	0.5
175.14838	1.2
186.14967	0.9
189.12778	4.7
193.15997	0.5
203.03409	0.5
205.07166	0.5
207.13751	4.2
225.14815	2.4
238.21671	0.4
258.05249	0.5
271.05957	1.0
286.04782	1.7
289.09225	0.8
295.05920	0.9
296.06512	1.6
301.07022	4.6
301.09814	0.5
307.06674	0.6
307.10391	1.7
308.06589	1.5
309.07584	0.8
310.07892	0.7
321.07571	0.6
322.08066	1.2
323.08972	0.6
325.07077	0.6
326.07236	0.9
334.07947	0.9
338.07617	0.8
350.07480	0.8
350.30508	3.2
362.07614	0.9
364.09027	0.6
368.31604	11.3
368.35931	0.7
380.08578	1.4
386.32620	25.1
391.08026	0.7
392.08640	1.7
410.09705	1.3
428.10895	0.5
445.20541	1.2
482.11819	2.3
494.11734	1.7
494.38956	0.4
512.12561	2.3
530.13757	0.8
530.36749	2.3
548.38037	100.0
549.25262	3.1
549.38434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05511	11.6
57.07079	9.1
60.08144	4.1
67.05506	9.7
69.07070	13.3
71.04998	3.7
71.07394	2.4
71.08648	8.6
79.05503	8.0
79.07096	1.6
81.07055	44.2
83.08625	12.2
86.09735	8.0
87.10007	2.2
89.06083	1.6
91.05479	8.9
93.07049	11.3
95.08608	14.7
97.10162	9.5
98.22704	5.3
102.23973	1.6
104.10748	52.3
105.07035	15.7
105.11076	15.4
106.11155	2.2
107.08597	12.8
109.06513	5.7
109.10153	6.2
111.08076	32.3
111.11697	2.4
115.05483	3.9
117.07016	12.1
119.08574	12.3
121.10148	7.5
123.10876	3.1
123.11707	36.6
128.06229	6.7
129.07001	28.5
131.08566	24.5
133.10123	11.1
135.11678	5.0
137.13261	3.3
141.12743	4.8
142.07788	9.3
143.08577	28.2
145.10132	15.8
146.50323	1.5
146.98218	4.5
147.11636	8.2
149.13268	2.2
155.08595	2.1
157.10130	100.0
158.10439	2.1
159.11691	57.7
160.12186	1.8
161.09735	1.7
161.13287	8.0
163.14755	3.0
169.10078	2.7
171.11726	20.4
173.13290	7.8
175.11177	2.2
183.11674	3.6
184.07401	2.8
185.13249	24.8
185.14780	3.0
187.14856	7.1
189.16455	1.8
196.08812	1.7
197.13318	2.0
199.14835	17.6
201.16428	12.2
201.39040	1.6
209.13170	2.2
211.14790	3.1
213.16382	36.8
215.18028	4.7
223.14697	1.6
225.16446	1.8
227.17967	10.4
229.30769	2.2
235.01721	1.8
249.16626	2.1
251.17912	3.2
269.19009	7.3
277.19528	2.3
283.24203	49.8
291.20865	1.8
293.22702	2.0
301.25381	2.3
305.22552	2.6
323.23538	3.8
375.30466	11.3
393.31528	32.3
411.32614	28.7
451.36371	1.8
484.96710	1.8
488.28256	5.1
489.28571	25.5
548.23395	4.3
548.35925	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	549.1244
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03865	0.5
53.04085	0.2
53.67108	0.2
55.01805	0.3
55.05449	0.3
56.04957	0.3
57.03333	1.1
57.06022	0.2
57.07002	0.3
61.02841	0.4
67.05396	1.1
69.03319	2.0
69.03719	0.4
69.06957	0.8
69.07319	0.5
69.20762	0.2
70.06484	0.9
70.55777	0.4
71.04906	0.6
71.05247	0.2
72.08040	1.5
73.02834	0.5
79.05387	0.9
81.03295	1.0
81.06937	1.6
81.07443	0.4
83.04890	0.4
83.08457	0.2
84.08049	0.5
85.02783	6.0
85.03338	0.6
86.03158	0.4
86.09594	0.8
87.04388	0.4
91.05356	1.0
91.79949	0.2
93.06918	1.2
94.63617	0.2
95.04880	0.5
95.08492	1.4
97.02763	2.2
97.06413	0.9
98.03143	0.2
98.09571	3.6
98.10255	0.3
99.04331	2.3
99.07969	0.8
99.09962	0.2
99.63586	0.2
100.04713	0.3
103.03816	4.4
103.04534	0.3
104.04156	0.8
105.06898	0.9
106.07275	0.2
107.08494	0.8
108.08807	0.3
109.02763	1.1
109.06419	0.4
109.10049	0.5
113.09525	0.4
114.74849	0.2
117.88594	0.2
119.08559	1.2
120.07978	0.6
120.08803	0.4
121.10012	0.6
123.07945	0.8
124.11153	0.3
125.05909	0.4
127.03914	5.9
128.04129	1.0
128.77888	0.2
131.08427	0.4
133.09993	1.0
134.10437	0.3
135.07954	0.3
135.11606	0.3
137.05899	0.4
142.12314	1.9
143.12564	0.3
145.04955	2.8
145.10020	0.4
146.05196	0.5
147.04344	0.5
147.11601	0.6
149.09509	0.4
149.13208	0.3
151.07410	0.4
153.01738	0.5
161.13116	0.3
163.03851	0.3
163.06033	2.6
163.11119	0.5
163.88020	0.2
164.06255	0.4
171.11502	0.3
175.03838	0.2
175.14696	0.3
179.10352	0.2
182.15331	0.2
189.12653	0.7
190.09360	0.3
190.13109	0.2
207.10080	0.6
207.13782	1.6
208.10471	0.3
208.14047	0.6
225.11134	0.8
225.14743	0.4
226.11450	0.8
229.04875	0.3
258.05234	12.4
259.05350	0.3
267.54697	0.3
286.04715	31.7
287.05106	0.7
289.95255	0.2
297.07047	0.3
301.07068	100.0
302.07391	2.4
307.10257	0.6
308.10492	0.5
350.30554	0.8
368.31519	1.7
369.31998	0.4
386.32596	4.1
387.32950	1.3
405.75552	0.2
445.20776	0.5
459.75803	0.2
463.12320	2.2
478.25537	0.3
483.12244	0.9
495.12350	0.5
513.13281	0.4
530.37256	0.8
531.11969	0.2
531.37512	0.4
548.38086	16.4
549.12555	4.4
549.26074	1.4
549.38574	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	549.1607
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
51.34020	1.8
51.58207	1.5
51.71722	1.6
55.05516	1.5
57.03434	1.9
61.02929	4.6
65.03957	2.8
67.05506	3.5
69.03433	31.1
70.06598	10.9
71.44518	2.1
72.08164	5.0
79.05499	4.0
80.05799	1.7
81.07054	4.1
83.04993	1.8
84.08152	3.4
85.02910	9.1
86.09712	6.3
87.04482	2.1
91.05486	4.0
93.07056	2.9
95.08656	3.2
97.02901	3.5
98.09704	2.9
99.04456	2.3
103.03957	5.9
105.07028	3.2
107.04941	2.3
107.08640	1.9
109.02905	3.4
109.10167	3.2
110.09716	2.3
111.04521	1.6
115.05513	1.8
119.04945	7.8
120.08148	2.2
121.02873	37.4
127.03965	4.4
128.10716	3.5
130.21124	1.7
131.08578	2.0
135.04454	1.8
136.07594	1.8
137.09630	3.1
142.12329	2.9
143.08553	1.7
145.02878	4.7
145.04942	1.7
145.10133	1.9
147.04463	2.8
147.11705	2.5
149.09601	2.6
161.06038	2.8
163.06052	2.6
170.11752	4.4
173.05859	2.0
173.13213	2.6
175.03923	2.8
177.01826	2.0
179.03375	2.8
187.04041	2.8
189.01855	6.9
189.05592	2.4
189.12794	2.1
191.03471	5.6
193.04964	1.9
195.02927	3.9
201.05525	2.3
203.03407	14.1
207.02963	6.2
207.13776	3.1
213.05513	3.7
215.03429	6.4
217.04976	3.3
219.02870	5.1
221.04492	2.9
227.03508	2.4
229.05017	2.9
231.02896	2.6
233.04518	4.5
241.04961	2.9
243.03027	1.8
245.04573	2.4
255.02956	1.9
257.04483	3.4
265.95035	1.6
267.06604	2.4
268.07346	3.0
269.04352	2.1
273.03937	1.9
279.06543	5.1
281.07990	4.7
283.06110	5.2
291.06454	3.0
292.07245	4.1
293.08109	3.3
294.05270	15.8
295.06027	52.1
296.06662	5.8
297.07581	6.7
305.08084	3.7
307.06052	45.3
307.09424	2.9
308.06787	19.1
309.07468	16.6
313.07114	5.2
317.08115	3.2
319.06076	6.1
320.06818	10.0
321.07578	48.2
322.08249	4.4
323.05621	3.4
323.09152	7.6
324.38474	2.0
325.07092	49.1
329.08069	3.6
331.09708	4.1
333.07559	22.6
334.08340	6.3
334.69757	2.1
335.05698	2.8
335.09186	18.7
336.06158	4.1
337.07050	44.0
339.08606	4.2
343.09634	3.1
345.07510	11.8
347.05484	2.4
347.09146	12.2
348.06378	2.5
349.07056	47.3
349.11008	3.1
350.07800	2.7
351.08655	25.0
355.08163	4.7
359.09225	7.6
361.07080	23.6
363.08633	28.7
367.08133	13.1
373.06860	12.9
375.08591	26.5
376.09341	2.3
377.10126	6.2
379.08099	48.4
385.10550	2.4
386.32440	2.6
387.08493	15.8
389.10306	4.1
391.08096	46.8
393.09738	19.2
397.09604	2.4
401.10196	2.9
403.07913	10.4
405.09677	21.5
409.09192	47.1
411.10703	23.8
413.10263	6.1
415.08334	8.2
417.09784	6.1
419.11234	5.5
421.09067	3.3
423.10684	8.8
427.10229	34.9
429.10718	7.4
431.11215	3.1
433.09100	15.9
441.11868	9.9
445.11276	5.5
447.10822	13.2
451.10056	11.2
459.11172	20.7
465.11792	26.0
469.11423	15.3
477.11859	28.4
483.06088	2.9
483.12903	42.8
489.15640	1.8
495.12885	100.0
496.13074	4.5
513.13947	83.9
514.14246	2.9
531.14996	30.2
548.38135	14.8
549.15845	13.1
549.37439	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	549.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
53.91503	2.1
55.05507	4.4
57.03430	5.5
61.02918	3.6
62.60174	2.1
64.28257	2.0
67.05508	5.4
68.99800	2.1
69.03425	32.8
69.07053	2.7
70.06592	14.6
71.46024	1.7
72.08150	6.1
79.05481	5.0
81.03432	2.6
81.07034	6.6
84.08163	5.1
85.02904	13.1
86.09698	6.9
87.04514	2.7
91.05477	6.8
93.03440	1.9
93.07047	4.3
95.04957	4.0
95.08580	3.0
95.35044	2.0
97.02895	6.7
97.06539	2.7
98.09673	7.0
99.04436	4.2
100.05392	2.1
101.99397	2.0
103.03937	6.4
105.07018	4.2
107.04954	2.7
107.08585	3.4
109.02866	2.8
109.10183	2.6
110.09664	3.8
117.07002	2.2
119.04934	13.2
119.08578	5.6
120.08091	4.4
121.02857	54.1
121.06546	2.1
121.10109	2.4
124.28722	2.4
126.10088	2.2
127.03925	8.5
127.59198	2.4
128.10713	3.8
128.17934	1.9
133.06482	2.6
135.04402	3.3
141.23567	2.3
142.12273	3.8
144.10217	3.2
145.02840	7.8
145.04967	7.4
145.10117	3.3
147.04393	3.2
149.09590	2.7
159.04469	2.7
163.03893	5.4
163.06004	4.6
165.01790	2.3
170.11752	4.9
177.01843	4.0
187.03914	2.8
189.01830	10.8
189.12749	7.6
191.03363	5.3
195.02834	6.9
203.03333	19.6
205.04904	3.8
207.02902	6.0
207.13802	3.7
213.05495	2.6
215.03372	9.6
215.06920	2.4
217.04770	5.3
219.02946	8.2
221.04424	6.7
227.03453	4.5
229.04959	5.3
231.02927	2.9
242.79323	2.2
243.02887	3.1
245.04491	4.5
255.02832	4.7
257.04514	3.7
267.06482	5.1
268.07346	4.3
269.04773	2.5
273.03732	3.0
277.08682	2.7
279.06519	5.5
281.08325	3.7
281.51834	2.2
283.05914	8.0
284.06830	4.0
285.07645	2.3
291.06757	2.3
292.07166	5.4
293.07999	6.2
294.05200	17.1
295.05994	65.2
296.06650	6.7
297.07562	9.1
305.08112	6.0
307.06024	44.7
307.09344	4.0
308.06613	18.4
309.07501	24.3
317.08105	5.3
319.06009	5.3
320.06766	9.3
321.07562	64.7
322.08148	11.3
323.05618	3.9
323.09088	9.8
325.07040	71.7
329.07907	4.6
331.09778	4.2
333.07590	29.5
334.08255	6.0
335.05505	5.6
335.09119	25.6
336.06137	7.6
337.07080	51.5
337.10568	2.2
339.08472	6.8
345.07544	19.1
347.09125	13.6
349.07025	57.6
349.11038	4.8
350.07791	4.5
351.08640	31.2
355.08163	5.3
359.09232	4.7
361.06940	25.0
361.10760	2.6
363.08569	36.1
365.10315	3.1
367.08109	16.4
371.09430	2.7
373.06918	19.0
375.08624	29.6
377.10220	4.3
379.08096	48.0
387.08591	6.2
389.10345	3.1
391.03253	4.1
391.08069	64.4
393.09567	24.5
401.10260	3.2
403.07986	14.9
405.09824	16.9
409.09164	55.4
411.10721	38.8
413.10175	7.7
415.08148	11.3
417.09842	6.3
419.11343	6.0
421.09009	5.8
423.10306	5.3
427.10242	36.3
429.11407	8.7
431.11453	5.1
433.09219	15.6
441.11047	8.6
447.10651	16.8
459.10974	21.4
465.11850	34.1
477.11777	26.4
483.12894	51.8
495.12820	100.0
496.13159	2.9
513.13916	82.9
514.14233	3.2
531.14954	30.9
548.37573	18.6
549.15900	15.4
549.37170	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.03127	1.3
55.05502	3.9
57.03424	5.2
59.04996	4.7
60.23828	1.3
61.02925	3.3
67.05502	7.0
67.76469	1.3
69.03426	18.0
69.07067	9.3
69.98812	3.5
69.99123	1.7
70.06580	7.0
71.04987	15.2
72.08153	3.4
72.19041	1.2
73.02932	3.1
74.74082	1.2
75.81106	1.2
79.05487	5.2
81.03423	17.6
81.07047	9.3
83.04976	5.5
83.08631	1.5
84.08156	1.5
85.02905	72.3
85.06540	1.6
85.09766	1.6
86.09705	3.6
87.04477	2.2
91.05468	7.5
93.07043	13.3
95.04960	4.6
95.08611	13.1
97.02892	29.3
97.06512	5.2
99.04452	45.1
101.06030	2.5
103.03944	84.4
105.07018	17.5
107.08595	17.5
109.02874	19.1
109.06517	6.2
109.10152	9.5
110.07130	1.8
115.03934	2.3
115.07568	6.6
117.06982	2.5
119.06126	1.3
119.08575	13.5
120.08086	2.1
121.06523	2.5
121.10136	6.1
123.08052	7.0
123.11703	2.7
125.06036	1.5
127.03915	100.0
128.04262	2.7
129.06990	2.0
131.08540	2.6
133.06488	3.7
133.10132	6.6
135.08089	4.0
135.11649	2.7
137.09605	16.2
139.11195	2.3
141.09073	2.5
143.08572	3.4
145.04961	71.2
145.10133	2.6
147.08046	5.0
147.11667	13.2
149.09612	13.5
151.07581	3.8
151.11171	23.2
155.10641	3.9
156.09358	1.9
159.11725	1.9
161.09642	2.3
161.13264	10.7
163.06020	47.0
163.11194	4.0
165.12723	2.3
169.04826	1.5
171.11659	4.0
174.10429	4.6
177.12735	2.8
187.06003	5.7
189.12743	17.2
205.07065	5.0
207.13806	37.5
225.14856	90.3
226.15179	2.2
243.15865	3.5
271.08151	9.3
289.09140	5.0
307.10358	8.9
338.19498	3.4
489.15018	1.7
517.27112	3.5
549.17041	2.9
549.33923	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.7
57.03426	1.6
59.05003	12.6
61.02933	2.1
65.07661	1.3
67.05508	3.9
69.03427	9.0
69.07066	4.3
69.79097	2.7
69.79490	3.6
70.06596	4.7
72.08154	2.2
79.05494	7.0
81.03443	2.9
81.07069	10.2
81.47133	1.6
83.04979	6.4
83.08638	2.1
84.08154	1.9
85.02901	16.6
86.09710	2.7
87.04481	6.0
87.56844	1.5
91.05491	7.6
93.07039	23.4
95.04975	4.2
95.08602	10.7
97.02898	5.5
97.06550	2.8
99.04458	2.6
101.06019	6.9
103.03971	4.4
105.04523	1.8
105.07027	20.3
107.08592	37.9
109.02897	1.6
109.06516	5.6
109.10164	4.9
111.08100	3.0
117.06999	1.4
119.04898	2.3
119.08576	10.8
120.08087	4.8
121.06528	1.9
121.10160	5.7
123.08067	6.3
127.03897	8.5
131.08562	2.4
133.03944	1.5
133.06506	2.6
133.10156	4.7
137.06047	2.2
137.09628	1.5
139.11223	4.6
141.09148	2.2
143.08630	1.7
145.04942	7.6
145.10080	2.3
147.08055	3.4
147.11674	13.1
149.09634	4.5
151.07602	2.8
151.11188	66.7
156.09315	2.9
158.22614	1.4
159.11693	2.6
161.09647	2.2
161.13237	10.9
163.06038	4.3
165.12756	2.4
171.11671	5.1
174.10376	1.9
177.12788	5.0
181.39281	1.4
189.12715	13.9
207.13800	85.1
208.14214	3.2
225.14856	100.0
226.15349	2.0
279.06555	4.5
305.08148	2.7
307.09753	1.7
309.07431	2.0
317.08392	1.6
363.08325	2.1
370.31955	1.7
375.08417	2.7
411.10666	3.1
465.11646	1.9
482.12311	1.6
495.13052	3.3
513.14026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01873	0.7
55.05509	0.6
57.03437	2.0
59.81253	0.6
59.81772	0.5
61.02928	2.4
61.06241	0.5
67.05491	0.7
67.28114	0.5
69.03435	11.3
69.07076	0.8
70.06580	4.0
70.48856	0.7
70.49172	0.7
71.05000	3.8
72.08154	1.0
73.02921	1.9
79.05506	0.8
81.03421	12.2
81.07059	1.5
83.04988	1.3
83.08584	0.6
84.08155	0.7
85.02905	70.1
86.03281	0.6
86.09699	1.6
87.04474	1.3
91.03992	0.8
93.07037	1.4
95.04956	0.8
95.08590	0.7
97.02892	20.9
97.06537	6.6
99.04458	40.0
103.03943	100.0
103.81917	0.6
105.07039	1.2
107.08598	2.2
109.02883	15.0
109.06518	1.8
109.10149	1.9
115.03938	0.9
119.08555	1.2
120.08082	1.2
121.10154	1.3
123.08096	0.9
127.03915	97.9
128.04274	0.9
131.08574	0.9
133.10117	2.1
135.08034	1.2
136.07542	0.9
139.79776	0.5
139.80879	0.5
145.04962	62.9
147.11748	1.1
148.44769	0.5
149.09610	1.9
149.13246	1.9
151.11177	1.9
163.06017	67.2
163.14789	0.5
169.05011	1.0
169.12265	1.2
173.13268	2.0
174.63814	0.6
187.06023	5.5
191.14284	3.8
199.05904	0.7
205.07104	4.6
209.13647	0.6
209.15320	3.9
227.16388	5.6
253.07004	1.1
271.08093	8.7
289.09189	9.1
295.05804	0.7
307.10229	20.8
413.21744	1.0
497.23837	2.6
515.24921	0.6
550.29950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05041	1.2
58.06589	1.1
59.04992	0.9
60.07874	0.9
60.08165	17.1
62.66757	0.5
63.66578	0.5
67.05492	1.5
69.07061	1.6
69.54774	1.6
69.55146	0.9
71.07383	6.6
73.78869	0.5
79.05532	0.8
81.07037	1.6
83.08621	1.5
86.09705	51.5
93.07005	0.7
95.08599	1.6
96.36546	0.5
97.10170	0.8
98.98453	4.7
103.16176	0.5
104.10742	96.5
105.07021	0.6
109.10159	0.9
121.10122	0.7
125.00003	27.4
127.48263	0.7
184.07341	100.0
185.07594	1.0
258.11102	0.6
278.00024	0.5
284.19025	0.6
359.01324	0.7
367.32153	1.0
463.01599	0.6
528.29175	0.6
532.37726	8.5
550.38660	35.1
551.38928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	28.0
57.07064	12.9
60.04155	2.4
60.08166	17.6
66.96064	2.9
67.05504	21.4
69.07072	36.4
71.07369	5.2
71.08617	8.1
75.01173	2.9
77.21351	2.6
79.05505	17.1
81.06567	4.8
81.07053	74.4
83.08624	20.1
85.10174	4.0
86.09710	51.7
91.05483	15.7
93.07035	26.3
95.08597	39.6
97.10178	21.9
98.23449	6.8
98.98477	3.5
101.77549	2.7
104.10746	81.8
105.07029	31.5
107.08595	31.4
109.06518	6.0
109.09489	4.3
109.10166	28.0
111.08092	6.8
111.11705	6.1
113.03806	3.0
117.07008	10.1
119.08578	34.4
121.10151	27.2
123.11697	23.6
125.00003	24.6
129.07014	3.5
131.08557	26.4
133.10123	29.9
135.11682	14.8
137.09607	4.9
140.13708	2.9
141.12856	2.9
142.15668	2.8
143.08571	8.7
145.10115	34.4
147.11664	23.2
149.13271	7.0
151.13669	3.4
151.14780	3.6
155.08614	3.4
157.10138	12.1
159.11705	34.4
161.13293	31.8
163.14851	6.2
169.10181	3.6
171.11606	3.3
173.13197	16.3
175.11115	3.3
175.14799	8.2
183.11644	4.8
184.07343	100.0
185.13280	5.4
187.14836	20.5
189.16420	9.4
195.11786	3.8
199.14856	7.2
201.16359	37.2
203.17987	3.4
205.19644	4.3
211.14796	6.8
213.16331	5.2
215.12555	3.1
215.18039	18.2
217.19711	3.4
229.19479	8.6
237.16301	3.8
239.18155	3.9
251.17938	3.8
253.19528	6.5
269.76688	3.2
271.20639	4.0
285.25763	68.5
293.22717	5.6
302.57715	3.2
307.24265	6.8
311.23761	11.1
377.32056	54.8
395.33102	82.6
396.32962	4.1
413.34113	54.6
437.34229	3.9
440.27792	3.1
526.13184	3.0
532.36987	3.7
550.38434	35.3
551.39581	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	551.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84135	1.1
59.51259	1.1
67.05495	1.4
70.06593	3.5
70.40774	1.0
70.41124	1.6
81.07080	1.8
85.02913	2.0
86.09714	3.2
95.08634	2.3
99.04453	1.3
102.73583	1.1
107.08604	1.7
128.10730	1.4
128.19490	1.2
140.24695	1.2
168.28247	1.2
171.00511	2.5
184.07401	2.4
185.04257	3.9
223.61615	1.2
227.05040	1.3
232.83473	1.2
244.35368	1.1
245.07852	30.9
267.08350	1.8
311.07324	1.3
329.08417	100.0
330.08762	2.7
507.33200	3.1
550.37891	2.9
551.17371	88.7
551.25006	5.5
551.36462	9.9
552.17383	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	551.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
70.06601	2.8
72.08170	1.7
73.13196	1.3
79.05513	1.5
81.07061	2.4
83.08591	1.7
86.09733	2.1
93.07047	2.1
95.08651	2.0
98.09694	1.7
119.04903	1.8
141.25310	1.5
148.46432	1.5
158.64732	1.3
158.66110	1.5
166.19455	1.5
171.00514	2.9
184.07408	2.8
185.04282	5.8
245.07863	31.8
267.08539	4.0
311.07224	1.8
329.08444	100.0
330.08884	2.4
507.33017	3.6
550.37653	3.9
551.17365	95.0
551.24780	6.2
551.35980	7.5
552.17346	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	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
57.07081	0.5
73.52254	0.4
78.79582	0.5
86.54623	0.5
88.60644	0.4
105.67396	0.4
176.68468	0.4
184.07343	1.3
203.05385	0.8
259.07892	1.2
331.09799	0.5
389.23087	2.5
446.45532	0.5
546.90631	0.5
551.28259	100.0
552.28418	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	552.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08140	1.4
85.02897	7.8
94.04189	1.7
97.02863	3.0
101.83520	1.4
115.05412	1.6
122.03654	3.9
123.16776	1.7
137.05986	100.0
145.04907	1.8
151.04019	2.0
159.04391	2.1
160.05273	1.7
161.05966	3.4
173.06015	2.1
175.07523	2.8
177.06949	2.2
180.08896	1.4
187.03992	1.6
201.05444	6.9
203.07092	2.9
205.06499	5.8
207.06470	9.2
219.06474	5.2
231.06387	2.0
233.05904	3.9
234.06918	2.1
237.09073	5.1
250.06238	4.4
251.06786	1.9
251.10921	1.4
253.22348	1.7
264.07678	1.8
265.08545	12.5
277.08521	1.6
278.05817	2.2
279.10138	1.9
283.09689	2.7
292.07361	4.1
293.08032	10.7
294.08466	1.8
295.06021	1.8
297.11298	3.1
305.08005	2.3
307.09622	13.2
309.11252	2.9
325.10742	28.1
337.10822	7.7
343.11786	34.8
355.11810	17.0
398.00708	1.6
491.29257	3.5
492.29346	5.1
552.30835	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	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.91460	1.1
57.03447	11.2
59.04992	3.7
60.04527	1.6
61.12211	1.2
67.05496	2.6
69.03426	45.6
69.03803	2.3
71.46196	1.5
75.04487	2.3
79.05495	1.6
81.03412	2.5
81.07054	2.3
83.04981	7.9
85.02901	31.6
87.04462	31.1
89.96011	1.0
91.05464	5.8
93.03371	1.3
93.07050	16.7
93.44151	1.2
95.04980	3.7
95.08605	2.8
97.02892	55.5
105.07034	9.0
107.04951	2.9
107.08590	7.8
109.06542	3.5
109.10172	1.8
115.03931	59.2
117.07006	4.4
119.08588	6.9
121.06513	19.9
121.10138	15.4
123.08110	2.1
127.03917	3.4
127.07553	2.0
131.08568	5.0
133.04964	35.6
133.10156	10.0
135.08054	4.8
135.11681	4.2
137.09633	5.5
139.07547	3.0
145.04945	3.0
145.10054	6.3
147.08044	3.4
147.11707	3.8
149.05971	12.5
149.09630	4.1
149.13271	4.1
150.07584	8.5
151.11240	2.0
151.50078	1.2
157.10147	5.4
159.11697	23.4
161.09642	4.0
161.13318	3.1
163.07584	2.0
163.11118	6.9
169.10132	1.9
172.08878	1.8
175.11154	10.4
177.09175	3.3
177.12743	45.3
187.11154	18.0
193.12253	14.7
205.12239	53.8
206.12662	1.5
211.13338	4.3
223.13284	71.8
224.13560	1.4
241.14323	100.0
259.08279	1.3
259.15393	45.2
298.92993	1.5
319.15497	4.8
337.16467	15.4
368.99796	1.3
373.18524	4.0
403.19647	14.2
552.25861	7.0
560.60596	1.2
574.12402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04951	0.2
53.03913	0.5
53.87857	0.2
55.01854	0.4
55.05514	1.9
56.05003	0.5
57.03446	1.4
58.06580	0.6
61.02932	2.2
65.03928	0.3
67.05511	1.9
68.04993	0.9
69.03433	6.3
69.07076	4.2
70.06587	2.0
70.59853	0.5
71.01330	0.3
71.04949	0.8
72.08139	0.5
73.02924	2.3
73.48348	0.3
79.05495	1.5
80.04981	0.7
81.03430	1.7
81.05751	0.4
81.07057	1.8
82.06582	2.1
83.01347	0.4
84.08133	1.1
85.02907	7.9
87.04477	1.9
91.03923	0.6
91.05476	1.1
93.05766	0.3
93.07054	1.5
94.06557	3.1
94.23920	0.2
95.04924	0.9
95.07320	0.4
95.08564	1.0
96.08133	8.3
97.02897	3.1
97.06502	0.2
97.08867	0.6
98.09644	1.0
99.04469	1.1
101.02325	0.8
103.03911	0.5
105.03352	0.7
105.07029	0.5
107.04917	0.8
107.07310	0.7
107.08553	0.9
108.08123	5.2
109.02885	1.0
109.08897	2.8
109.10109	0.3
110.09674	2.3
111.04395	0.4
119.08556	0.3
120.08106	1.0
121.02835	0.3
121.06477	0.4
121.10127	0.3
121.29874	0.2
122.09672	6.0
123.04430	12.5
123.10423	1.2
124.11185	0.8
127.03927	1.8
135.08038	0.3
136.11221	1.6
137.05995	0.5
138.12755	0.9
140.10741	0.3
142.12135	0.3
145.04904	0.5
145.44438	0.2
149.05925	0.8
150.12752	1.1
152.14301	0.9
163.07492	0.6
164.14317	0.7
175.07373	0.2
175.52667	0.2
178.15858	0.6
182.11722	0.5
187.11105	0.3
192.17403	0.4
193.15805	0.2
193.21587	0.2
204.17451	0.3
206.19040	5.5
208.20534	0.3
220.20570	0.3
235.43196	0.2
266.21213	0.5
267.19217	0.2
302.21152	0.9
312.23224	0.3
314.21143	6.4
328.18832	0.5
328.22723	7.7
329.23355	0.3
330.24271	69.0
331.24670	2.1
348.25336	2.8
354.24231	0.3
372.25189	1.5
390.26398	31.5
391.26715	0.8
466.90115	0.2
492.29486	1.6
552.31696	100.0
553.23724	0.3
553.31995	4.2
571.12372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.2
53.03905	0.7
55.01842	0.5
55.05512	1.9
56.04993	0.3
57.03436	1.5
58.06568	0.4
59.04974	0.2
59.55822	0.2
61.02926	2.2
65.03888	0.2
67.05503	2.3
68.05026	1.3
69.03429	6.2
69.07063	3.8
69.16174	0.3
69.16572	1.2
70.06583	1.9
71.01315	0.4
71.04968	0.8
72.08107	0.5
73.02911	1.7
79.05491	1.6
80.04956	0.6
81.03417	1.7
81.05767	0.3
81.07058	1.5
82.06577	1.7
83.01286	0.3
84.08135	0.9
85.02897	7.7
86.09692	0.3
87.04456	1.9
91.03907	0.5
91.05476	1.0
93.05756	0.3
93.07027	1.4
94.06561	3.3
95.04922	0.7
95.07294	0.4
95.08586	1.2
96.08124	8.2
97.02889	3.1
97.06469	0.2
97.08868	0.6
98.09678	0.9
99.04446	1.1
101.02338	0.4
103.03879	0.5
105.03339	0.6
105.06963	0.7
106.06531	0.3
107.04873	0.6
107.05523	0.2
107.07269	0.6
107.08579	1.0
108.08111	4.7
109.02877	1.1
109.06487	0.3
109.08891	2.5
109.10062	0.4
110.09683	2.6
110.41350	0.2
111.04368	0.4
115.03870	0.4
119.08515	0.2
120.08103	0.8
120.88554	0.2
121.02888	0.4
121.06491	0.2
121.10093	0.2
122.09660	6.0
123.04423	10.5
123.10452	1.0
124.11182	0.7
127.03905	1.6
132.92903	0.2
133.06419	0.2
133.10034	0.2
134.09612	0.3
135.08026	0.2
135.11659	0.4
136.11186	1.6
137.05957	0.3
138.12679	0.5
138.15395	0.2
145.04886	0.6
147.04329	0.3
149.05965	0.6
150.12714	1.2
152.14339	0.9
161.05916	0.3
163.05968	0.2
163.07500	0.7
164.14281	0.7
170.09982	0.2
175.07573	0.2
175.14807	0.3
177.09067	0.2
178.15877	0.3
182.11674	0.5
186.94778	0.2
187.11147	0.3
192.17421	0.7
204.17397	0.6
206.19023	4.2
218.19113	0.3
220.20517	0.4
266.21219	0.5
302.21097	0.6
312.23175	0.3
314.21133	6.8
315.21399	0.2
328.22687	7.8
329.23077	0.4
330.24240	67.4
331.24576	2.4
348.25266	2.2
354.24283	0.4
372.25378	1.8
389.25293	0.2
390.26358	31.0
391.26651	1.4
432.27377	0.3
492.29660	1.1
552.31647	100.0
553.32007	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	553.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58886	0.6
70.10442	1.9
72.88646	0.6
75.52755	0.6
79.25020	0.7
149.58855	0.7
150.91927	0.8
161.24077	0.7
174.79332	0.7
209.95697	1.9
210.94057	100.0
228.94151	0.6
250.04480	0.6
270.95294	0.9
381.07898	11.9
514.81750	0.7
552.96106	0.9
553.04218	0.8
553.18329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.226
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
50.73335	0.4
67.05502	0.7
69.03415	0.5
69.15588	2.8
70.06590	2.4
81.07056	1.0
85.02915	0.7
86.09727	0.9
91.05490	0.5
92.77032	0.4
93.07015	0.9
95.08601	0.8
103.03971	0.5
105.07034	0.7
106.05998	0.4
107.08578	0.5
109.10195	0.8
120.08185	0.6
121.10144	0.5
123.00580	0.7
131.08505	0.5
132.02336	0.4
147.04402	0.8
148.04753	0.5
201.12604	0.8
201.29767	0.4
247.13100	3.6
250.03282	0.5
329.08521	1.7
337.35043	0.5
391.17148	0.6
407.16568	0.8
409.18323	6.3
429.09930	0.6
451.19370	1.6
491.22546	17.2
492.22836	0.5
493.20502	7.4
494.20953	0.7
535.21350	1.7
553.22498	100.0
554.22833	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	553.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98232	0.8
66.16995	0.5
67.50934	0.5
69.94882	1.8
78.32611	0.5
124.93769	14.7
142.94753	2.8
198.97433	100.0
199.97803	0.6
216.98508	7.4
240.00047	0.8
391.34619	0.6
461.14270	1.0
461.20413	12.0
479.21341	0.9
517.16846	1.8
553.25092	76.4
554.25488	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.1
68.82003	0.6
69.12807	1.4
69.13202	4.3
95.73670	0.6
98.97590	1.8
112.99155	0.8
132.57736	0.7
143.48233	0.6
162.73175	0.8
250.42934	0.8
293.05582	1.4
317.17996	3.2
335.18710	1.0
400.70181	0.9
463.42746	0.8
553.27716	100.0
554.27997	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2772
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
51.77951	1.0
70.10953	0.9
71.73607	0.9
87.30729	1.0
98.97612	1.6
109.96479	0.9
243.44833	1.1
317.18042	1.6
335.66431	1.0
426.44705	1.0
532.47400	1.0
553.27747	100.0
554.28052	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	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30705	0.2
62.87505	0.2
69.85958	0.7
70.79633	0.2
79.94060	0.2
83.01096	0.3
84.01884	0.9
95.01099	0.5
96.01853	0.5
100.63500	0.2
127.77763	0.2
134.94055	0.2
148.25394	0.2
156.04002	0.4
157.04718	0.4
184.03493	0.4
185.04251	1.3
201.03665	1.4
203.05234	1.8
233.76624	0.2
259.07864	1.9
281.59979	0.2
331.09982	2.7
345.11557	0.5
359.13123	0.4
373.14740	0.5
387.16559	0.3
391.24472	0.6
401.17838	0.7
415.19427	0.9
441.20615	0.4
455.22531	0.7
483.21945	1.9
535.28699	0.6
553.29816	100.0
554.30121	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	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
62.48628	0.5
64.61253	0.6
69.52016	1.9
101.99197	0.5
123.79253	0.5
128.60703	0.5
167.51216	0.5
185.04207	2.9
201.03772	1.4
259.07880	0.7
275.07367	1.5
301.09070	0.8
331.09921	4.1
345.11642	0.8
359.39655	0.6
373.14694	0.7
391.24521	1.1
398.67996	0.5
415.19388	1.1
483.22058	1.4
521.93304	0.5
535.29120	0.6
553.29810	100.0
554.30206	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	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20139	0.3
63.44302	0.3
69.76531	0.8
72.40359	0.3
100.06524	0.3
169.62917	0.3
203.05342	1.1
219.54607	0.3
228.00941	0.3
233.39597	0.3
256.41797	0.3
259.07962	1.0
391.24585	0.8
553.29803	100.0
554.30243	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	553.2989
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.80880	0.2
64.78577	0.2
69.18582	1.1
73.38568	0.2
89.17957	0.2
177.94716	0.2
185.04224	0.5
203.05270	0.6
204.99727	0.2
259.07932	0.6
264.18649	0.2
300.63876	0.2
333.94522	0.2
339.16434	0.2
391.24686	1.4
400.08502	0.2
403.23264	0.2
432.75610	0.2
553.29822	100.0
554.30206	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	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69701	0.7
71.05743	0.2
102.44307	0.2
109.05299	0.2
185.04214	0.4
259.07831	0.4
331.10086	0.4
391.24435	1.6
455.22528	0.3
471.21884	0.2
553.29816	100.0
554.30109	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	554.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46786	1.1
53.03941	1.4
55.01879	4.8
55.05515	1.8
56.05035	2.1
57.03417	2.7
58.06593	1.6
61.02925	3.2
61.51320	1.0
67.05511	3.7
69.03433	11.1
69.07072	2.5
69.56546	4.0
70.06594	22.7
71.04990	2.1
71.06948	1.3
72.08156	15.3
73.02910	2.9
79.05485	3.0
81.03416	5.1
81.07045	4.8
83.04967	1.9
84.03555	0.9
84.04497	3.6
84.08154	6.8
85.02905	34.7
86.09698	9.2
87.04462	1.7
87.10046	1.1
91.05482	4.3
93.07027	2.3
95.04970	1.9
95.08614	4.5
96.08141	2.0
97.02895	8.4
97.06530	1.2
97.07094	1.1
97.65607	0.9
98.06078	1.6
98.09682	2.2
99.00809	1.5
99.04455	1.7
99.08101	1.7
102.05543	1.2
102.09177	3.3
103.03956	1.7
104.07865	1.0
105.07053	3.6
107.04964	2.6
107.08553	2.4
109.02881	3.6
109.06490	1.0
109.10183	4.0
110.07156	3.6
110.09685	1.1
112.07601	1.6
113.02364	53.2
116.07099	1.2
117.07083	1.5
119.04963	1.8
119.08601	1.1
120.08125	3.8
120.55328	1.1
121.10146	5.1
123.04433	12.0
125.09671	1.8
127.03933	6.1
128.10719	2.8
129.06999	1.5
129.10255	3.0
130.06537	2.5
131.03391	1.8
132.08049	1.3
133.06476	1.4
135.04427	3.7
136.07600	4.5
137.02303	2.7
137.05977	1.3
145.04985	5.3
145.06493	2.6
147.04399	5.2
149.05943	1.5
153.07011	1.4
153.48256	1.0
154.12228	1.5
159.09213	2.4
161.05983	3.3
163.03899	5.1
167.07025	13.3
173.06006	4.7
175.07578	1.2
177.06972	2.5
177.16394	8.7
180.08682	4.6
181.06490	3.0
185.06018	2.1
187.03891	1.7
193.08575	1.4
195.08038	2.1
195.17415	1.1
199.07549	1.8
203.08539	1.3
205.06485	14.3
213.18532	2.6
223.07559	18.1
227.07025	1.8
229.15558	1.7
233.06015	16.7
233.08116	2.5
234.06696	1.7
235.07545	1.6
245.08124	4.2
251.07045	45.9
255.06538	1.5
261.05515	8.0
262.06332	1.4
269.08099	39.1
277.08554	1.6
279.06516	77.8
280.06934	2.3
289.04907	3.2
297.07574	86.0
301.75055	1.2
307.05997	25.3
307.09473	1.2
308.06412	1.9
311.22073	1.2
312.99481	1.0
325.07053	72.8
326.07217	2.4
327.12277	9.4
339.12332	3.8
347.09244	1.6
356.27963	1.2
357.09686	100.0
358.10062	2.0
374.23315	1.4
374.28568	2.2
375.10635	3.0
392.24228	3.3
392.29358	1.5
441.04834	1.3
446.13528	1.1
469.91620	1.1
500.32175	1.6
512.84076	1.1
518.33295	11.2
535.32916	1.2
536.34613	17.0
541.22156	1.1
553.79694	1.4
554.27112	7.0
554.34570	4.7
555.24091	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	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28862	0.7
55.01888	1.0
69.03429	2.4
70.06596	2.6
71.45284	1.2
78.04715	0.9
79.05495	2.2
80.36476	0.8
82.72658	0.8
84.08167	1.2
85.02909	5.6
91.05482	5.1
95.05001	1.3
97.02895	1.9
103.05489	1.1
105.03426	1.3
105.07053	4.5
107.04942	4.6
110.07297	0.8
115.05461	1.2
117.07033	3.0
119.04942	5.2
121.06530	1.3
123.04447	3.8
124.05222	1.7
127.03938	1.2
128.10706	1.4
129.07043	2.2
131.04941	3.0
132.05737	1.3
133.06502	3.0
136.05180	1.0
137.06007	1.9
145.06447	7.4
147.04399	16.1
149.06036	1.1
151.07443	1.1
152.04756	1.1
153.05460	1.8
155.07109	0.9
160.05307	1.0
161.05975	14.7
163.07632	1.0
167.07036	100.0
168.07434	1.4
173.05965	14.6
175.07468	1.3
177.05530	1.3
178.07832	1.4
179.07060	5.6
179.08513	1.4
180.07704	1.0
182.09274	0.9
185.06004	5.7
191.07037	7.7
191.08470	1.0
192.07851	1.6
193.08693	6.0
202.07796	1.2
203.07074	3.9
209.08023	1.7
218.07269	1.7
219.08055	2.1
221.09671	1.1
233.09505	1.7
235.36435	0.9
247.07616	1.8
249.09178	3.4
261.09036	1.2
267.10205	3.4
275.07043	2.9
277.08664	2.5
279.10153	1.9
281.11728	1.1
293.08157	1.0
295.09528	4.4
307.09711	3.8
309.11099	1.9
312.09808	4.0
313.10385	0.9
325.10672	1.3
327.12250	24.5
330.10995	1.6
339.12292	9.6
345.13208	8.8
346.19830	1.3
357.13251	9.1
374.23083	1.3
392.24243	3.0
411.78970	0.9
536.28455	1.4
554.29559	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	554.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
57.03428	2.2
58.06588	3.1
61.02922	3.2
67.05492	5.5
67.21432	1.1
69.03426	5.3
69.33681	6.7
70.06593	15.3
73.02934	1.4
79.05480	1.9
81.03419	1.4
81.07052	3.7
82.06578	2.9
84.08149	2.6
85.02895	7.1
86.47925	1.2
91.03950	1.3
95.08611	3.6
96.08138	8.3
97.02905	4.6
97.08922	4.5
98.09693	2.7
109.10181	2.3
110.09679	9.1
111.10477	1.6
120.67274	1.1
123.04434	26.4
124.11229	1.5
152.14348	1.7
157.03407	1.2
185.61218	1.1
206.59241	1.2
208.20628	14.3
216.96616	1.3
250.18036	1.7
277.03082	1.2
322.02939	1.3
332.25830	100.0
333.26349	3.5
374.27158	2.2
392.27969	16.1
494.31158	22.1
554.33234	97.6
555.33649	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	0.7
55.05508	1.5
56.05036	1.5
56.08350	0.3
57.03443	2.1
58.06591	0.4
61.02931	1.1
67.05511	2.5
69.03432	5.7
69.07076	1.5
69.39162	1.8
70.06607	0.3
71.04988	0.6
72.04523	0.5
72.08158	7.2
73.02931	1.2
79.05508	2.5
81.03406	3.5
81.07056	2.1
81.08942	0.3
83.08617	1.4
84.08158	0.4
84.37713	0.3
85.02907	6.5
85.08950	0.4
86.09727	0.8
87.04475	0.9
91.05470	0.8
93.07030	0.5
95.04973	1.4
95.08603	1.4
97.02899	3.0
97.06529	3.1
97.10177	0.5
98.09694	17.5
99.04452	1.1
99.08099	2.2
105.07040	0.6
107.04965	2.9
107.08623	0.7
109.02894	2.2
111.04488	0.4
115.48627	0.3
121.06487	1.8
123.04430	40.3
124.11245	1.2
125.09627	1.2
127.03937	1.4
129.29318	0.4
131.04958	0.4
133.06494	0.7
135.04419	5.2
135.05331	0.4
137.05988	1.4
139.03900	0.6
142.12274	15.8
145.05029	0.4
145.06494	0.6
147.04381	2.6
147.11902	0.4
149.05974	12.1
157.06616	0.5
161.05966	3.2
163.07542	4.6
175.07541	2.8
189.09161	0.7
192.07854	0.5
193.08667	0.4
207.06493	0.4
217.12210	3.8
235.13370	1.4
268.23105	0.4
366.65973	0.3
374.26953	1.5
392.27930	19.2
434.29269	0.4
462.91132	0.4
529.14087	0.4
554.33234	100.0
555.33777	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	554.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01871	0.7
55.05510	2.3
56.05029	0.9
57.03436	1.0
58.06592	1.8
61.02924	1.0
67.05508	3.0
67.17564	0.4
69.03427	3.6
69.07066	1.5
70.06591	7.5
71.04985	1.4
71.45586	0.5
72.08154	12.4
73.02924	0.7
79.05490	1.9
81.03417	1.9
81.07061	3.3
83.08612	0.8
84.04505	0.8
84.08141	7.1
85.02901	6.1
85.08916	1.2
86.09703	3.0
87.04446	0.6
88.25037	0.4
91.05495	1.0
93.07051	1.9
95.04973	1.0
95.08604	2.9
97.02896	3.1
97.06519	1.3
98.09702	4.3
99.04467	1.0
99.08112	0.5
100.98472	0.4
102.09179	2.3
103.03934	0.6
105.07034	1.1
107.04971	1.4
107.08605	2.3
109.02878	1.1
109.06506	0.5
109.08895	0.5
109.10121	0.5
110.07104	0.5
110.09711	0.6
112.07621	0.5
117.07047	0.6
119.08600	0.5
120.08107	0.9
121.06506	0.9
121.10149	2.1
122.09708	0.5
123.04430	24.4
124.11240	3.1
125.09617	1.0
127.03915	1.2
128.10741	0.7
129.10210	0.6
133.06487	0.5
133.10109	0.5
135.04431	2.2
135.08073	0.7
135.29857	0.4
136.07610	1.3
137.05954	1.3
140.14375	1.3
140.23491	0.4
141.10266	0.4
142.12280	4.3
145.05003	0.5
147.04457	1.6
147.05887	0.9
147.08078	0.6
149.05975	5.6
158.15404	2.2
161.06013	1.8
163.03886	2.5
163.06184	0.5
163.07597	1.1
175.07617	0.7
177.16377	6.6
195.06526	1.0
195.17355	0.5
212.16397	2.1
217.12300	0.9
229.15558	0.6
230.20692	0.4
250.21805	0.9
251.14996	0.5
268.22797	3.4
279.06549	0.6
295.12689	0.6
311.94095	0.5
326.20813	0.8
374.26898	2.4
391.27335	0.8
392.28036	5.1
492.23032	1.1
518.33179	1.8
536.34161	2.5
554.23578	9.0
554.33258	100.0
555.25366	0.9
555.33588	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49329	2.4
70.49655	1.4
101.72604	1.4
102.85426	1.1
109.57688	1.4
162.11066	1.3
187.52760	1.3
195.06526	2.6
196.04829	17.1
211.95622	1.6
212.85291	14.4
212.93889	6.3
213.07481	100.0
231.07672	3.7
381.07840	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	555.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62915	1.2
69.60214	5.4
110.45094	1.3
170.06001	4.1
171.04454	4.6
175.11838	1.7
187.08644	2.2
188.06972	2.2
189.05486	3.8
190.39864	1.6
195.06476	3.3
196.04837	20.1
207.06531	2.3
212.85352	6.3
212.86989	1.5
212.93907	2.2
213.07527	100.0
214.04956	3.9
231.07674	35.2
232.06012	2.8
249.08740	8.9
253.05556	2.2
261.03021	2.3
273.08755	16.6
279.03751	1.7
285.08551	2.1
291.09711	2.4
303.09763	4.1
324.68466	1.4
333.10831	4.7
375.11856	6.0
381.07797	10.4
409.15610	3.2
555.18195	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	555.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31640	0.4
53.43427	0.4
53.62556	0.4
55.05497	0.7
67.05499	1.0
69.03439	0.9
69.07052	1.0
69.50352	0.4
69.50672	2.0
70.06234	0.5
70.06589	5.8
71.05018	0.4
72.08155	2.2
79.05480	0.9
81.03432	0.6
81.07055	1.5
84.04511	0.4
84.08125	1.1
85.02927	2.1
85.06540	0.9
86.09707	2.5
91.05488	1.4
93.07050	1.9
95.04984	0.5
95.08600	1.6
97.02870	0.6
97.06545	0.6
98.09699	1.6
98.22720	0.8
103.03934	0.8
103.05450	0.7
104.10744	1.0
105.07030	0.9
107.04964	1.6
107.08593	1.5
109.02893	0.6
109.10133	1.1
119.08559	0.6
120.08112	1.0
121.10149	1.2
123.04435	1.1
127.03912	1.1
131.04942	0.9
133.10124	0.8
135.11726	1.2
136.12019	0.6
137.06056	0.7
142.12280	1.3
145.04974	1.0
147.04404	0.5
148.56480	0.4
149.13232	0.5
163.06129	0.5
163.07550	0.8
171.11398	0.7
177.16582	0.5
184.07248	0.8
185.04140	0.6
195.13895	1.1
196.14145	0.7
201.12408	0.9
213.14941	0.4
242.14960	0.8
249.14853	0.6
276.34872	0.5
285.09488	0.5
287.07214	0.5
303.23166	0.6
321.24237	0.9
329.08447	0.8
339.25378	0.9
347.09448	1.4
374.26675	0.6
375.27335	1.6
393.18607	0.7
393.27991	0.6
411.19827	3.3
429.19696	0.6
493.24017	14.0
494.24841	0.9
495.21942	3.1
537.22412	0.9
537.32965	0.6
554.33771	0.7
555.24078	100.0
555.32861	6.3
556.24243	3.3
556.32379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75600	3.0
55.75247	3.3
58.06590	6.3
69.03423	9.0
70.06589	8.2
70.27281	6.5
70.68086	2.9
70.86243	3.1
72.08147	5.1
73.39306	3.1
79.05504	6.6
81.41241	4.3
85.02905	16.2
91.05463	9.9
94.72310	3.4
95.04914	3.7
97.02853	4.2
103.05458	26.8
105.03429	4.3
107.05008	3.4
107.75835	4.3
110.09707	6.0
111.04436	4.6
117.03429	5.0
119.04937	21.6
121.06493	8.3
122.03717	3.8
123.04432	8.7
124.05221	4.2
127.03873	6.0
128.10701	25.2
130.04117	4.6
131.04922	100.0
133.02869	21.1
133.06532	6.8
134.63422	3.5
135.04411	10.1
137.05971	90.3
144.10222	13.3
147.04384	27.1
149.05939	19.5
150.06764	35.5
151.07535	12.2
159.04416	10.6
161.05971	27.2
162.06744	36.0
163.03902	26.0
163.07552	61.8
167.07086	6.3
173.05869	4.0
175.07536	9.8
177.05469	11.8
179.07042	11.5
180.07704	3.7
181.04965	4.2
187.03879	29.6
187.07530	6.9
189.09006	3.5
191.03336	5.4
205.04945	15.6
205.08472	3.6
217.05009	7.8
235.09711	5.3
263.07104	3.9
293.07947	5.4
309.07581	12.5
311.09085	43.2
311.12357	6.2
323.09140	13.2
329.10123	17.8
341.10284	25.7
341.13770	6.6
376.24728	7.1
394.25940	11.2
538.30109	9.4
556.31256	60.2
557.21600	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	3.8
63.16387	1.3
65.03935	1.5
69.03425	2.0
69.50133	4.8
70.06596	1.9
79.05505	6.2
81.07016	1.3
85.02914	5.9
91.05480	34.6
93.07034	2.1
94.04186	1.6
95.04966	3.5
97.02870	1.2
103.05469	43.8
105.03374	7.5
105.07033	21.5
107.04926	3.6
109.06516	6.6
115.05448	4.5
119.04942	49.3
121.06528	1.9
122.03654	4.5
123.08074	3.2
128.10712	2.7
129.06985	1.7
131.04932	100.0
133.02838	6.8
133.06488	21.1
137.05977	74.5
143.06073	2.3
145.04922	1.3
145.06442	1.7
147.04410	18.5
147.08086	2.7
149.05981	5.9
150.06657	1.3
151.07552	22.9
159.08008	1.4
161.05980	80.1
162.06747	6.0
163.07547	63.9
165.05496	5.0
172.05098	1.4
175.07579	17.8
179.07048	26.8
181.34645	1.2
187.07506	14.9
189.09105	2.2
193.08624	5.8
205.08623	13.1
217.08633	4.4
219.08049	2.3
230.11539	1.5
231.08025	2.9
235.09705	3.4
247.07512	3.7
251.10620	4.3
259.07434	2.7
265.08731	1.7
279.10205	5.3
291.10141	5.0
299.34918	1.5
309.11060	6.0
311.12796	18.6
323.13007	6.4
329.13797	5.7
341.13809	8.6
359.14679	2.4
556.30963	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20067	4.9
69.03430	8.1
70.06579	10.8
71.45145	6.0
72.08158	7.6
79.05468	5.3
79.87357	4.4
84.08138	4.6
85.02911	17.1
89.18353	4.1
91.05490	32.8
94.47662	4.9
95.04930	3.9
103.05457	36.0
105.03385	6.8
105.07037	13.4
107.04948	4.6
109.06536	8.5
110.17184	4.2
114.12393	4.3
119.04939	45.6
121.06486	6.7
123.04419	5.2
127.03923	5.7
130.21825	4.3
131.04922	67.3
133.06491	14.7
137.05975	100.0
144.10205	17.3
147.04439	18.4
147.08151	5.0
149.06000	10.9
151.07545	26.0
161.05997	28.1
163.07524	80.3
175.07582	31.8
179.07004	25.7
187.07570	10.4
193.08611	9.1
205.08405	6.1
209.08170	11.1
217.08665	6.8
251.10870	5.4
309.11096	22.8
311.12830	21.2
341.13818	9.4
407.59009	4.6
556.35205	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	556.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94043	0.8
53.03946	3.7
55.05507	4.3
55.28165	0.8
57.03432	3.2
57.07077	3.0
58.13224	0.8
59.05003	21.1
61.02927	2.1
67.05506	2.5
69.03424	12.4
69.07072	10.9
69.16164	5.7
70.06582	3.0
71.04989	5.1
71.08638	1.8
72.08150	3.5
73.02917	3.0
73.06544	3.1
77.06027	1.1
78.47091	0.9
79.05500	1.2
81.03420	13.7
81.07055	3.4
83.08637	1.9
85.02907	66.7
86.09728	1.1
86.91548	0.9
87.04473	5.5
88.08524	0.8
91.05470	2.0
93.07063	1.2
95.04977	1.6
95.08610	1.8
97.02894	30.3
97.06550	1.1
97.10176	4.8
98.09680	2.1
99.04457	38.5
99.08076	1.3
103.03944	84.5
105.05507	10.0
105.07063	1.5
107.04974	1.6
107.08572	1.4
109.02881	15.1
109.10156	7.7
111.11716	12.7
114.66663	0.9
115.03951	1.6
115.11213	2.8
117.03760	0.9
117.05526	1.0
118.67762	0.9
119.08630	1.2
121.10194	1.4
123.04434	1.4
123.11701	1.2
127.03918	100.0
127.11189	19.0
128.04221	1.0
129.12750	24.3
129.13678	1.5
133.06537	1.0
140.03456	1.7
145.04961	68.9
145.12239	2.6
147.08038	1.9
163.06021	67.9
164.06410	1.5
169.04919	1.6
187.05992	5.7
205.07106	3.1
215.16467	5.9
233.17447	7.2
237.14792	1.1
253.07079	1.7
271.08182	11.9
288.21948	0.9
288.97974	1.0
289.09183	10.4
297.17038	1.7
307.10233	21.1
307.13773	1.2
323.26016	1.9
394.29523	1.6
555.91675	1.3
556.25043	2.9
556.35431	10.3
557.25385	3.3
557.33142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.01877	1.6
55.05502	2.3
57.03445	4.6
57.07071	2.2
59.05002	18.8
61.02929	3.3
67.05495	2.4
69.03432	14.6
69.06714	0.7
69.07069	8.5
69.80329	1.6
70.06581	2.5
71.05006	5.2
71.08642	1.5
72.08160	7.0
73.02920	3.0
73.06551	2.8
77.06044	0.9
79.05483	2.3
81.03426	12.9
81.07056	2.5
83.04970	1.5
83.08617	1.0
84.08143	0.7
85.02908	70.2
85.06532	0.8
86.09691	1.6
87.04480	4.3
91.05468	1.0
93.07048	1.6
95.04979	1.4
95.08595	1.6
95.33488	0.7
97.02898	28.1
97.06559	1.0
97.10166	1.8
98.09697	6.0
98.22778	0.8
99.04456	37.7
99.08163	0.9
103.03945	83.0
105.05508	8.0
105.07062	1.0
107.04987	3.3
107.08610	1.3
109.02183	1.0
109.02880	15.5
109.06511	1.1
109.10178	2.4
111.11723	8.6
115.03963	0.9
117.07053	0.8
121.10172	0.8
123.04436	5.7
123.11712	0.9
127.03918	100.0
127.11223	0.8
128.04282	0.9
129.11803	1.1
129.12759	20.6
131.08525	0.7
133.06499	1.3
135.11707	0.9
135.44908	0.7
137.05995	1.4
142.12271	2.0
145.04964	63.7
145.10127	0.6
147.08041	2.3
149.06052	1.3
163.06021	64.1
169.04967	1.2
170.11697	1.1
185.04155	0.8
187.06036	3.8
201.12785	0.9
205.07086	4.5
215.10405	1.0
215.16455	3.2
217.06985	0.8
230.12622	0.8
233.17531	1.1
237.14850	1.0
253.07172	1.5
270.24402	0.8
271.08087	10.1
289.09174	9.4
297.16888	2.0
300.01810	0.7
307.10223	20.1
362.11859	1.3
376.28329	2.5
394.29550	7.2
427.96536	0.9
538.33936	2.2
542.41895	0.7
556.24506	27.4
556.34680	37.3
557.25146	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	556.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
56.05042	0.5
57.03440	1.5
58.06598	2.1
61.02924	1.5
64.45731	0.3
67.05506	1.1
69.03431	4.4
70.06590	5.6
70.35219	0.4
70.35536	0.6
71.01344	0.4
71.04997	0.8
72.08167	0.4
73.02928	1.4
79.05498	2.0
81.03412	1.3
81.07062	1.2
82.06583	0.6
84.08143	3.3
85.02903	5.2
85.08916	0.4
86.09731	0.6
86.51532	0.3
87.04485	1.1
88.07626	3.9
91.05490	1.8
93.07037	1.7
95.04977	0.8
95.08625	0.6
96.08141	1.2
97.02891	1.9
98.09683	1.3
99.04443	0.6
103.05443	1.0
105.07047	1.1
107.04971	0.9
107.08608	1.0
108.08099	0.6
109.02934	0.6
109.06524	0.5
109.10193	0.5
110.09682	6.4
111.10487	1.3
112.11274	1.4
119.04935	0.9
121.06535	0.5
121.10127	0.5
122.09678	0.4
123.04429	5.1
124.11250	3.0
126.12841	0.4
127.03948	0.9
128.10719	5.9
129.07057	0.8
131.04924	3.2
133.06491	0.5
133.10167	0.3
137.05974	5.0
138.12805	1.1
139.13524	0.7
145.05051	0.5
145.06560	0.5
147.04416	1.2
149.05972	3.7
151.07561	0.6
152.14366	1.4
154.12305	1.3
156.13889	0.7
157.06526	0.5
161.05998	2.2
163.07561	3.1
165.09160	0.4
168.13889	1.8
175.07547	1.9
177.09106	0.7
179.07043	0.7
180.13916	0.3
182.15405	2.0
184.13382	0.8
186.14902	3.0
187.07524	2.2
189.09154	1.0
193.08569	0.5
210.14812	0.4
224.16467	1.3
238.18011	0.6
238.58208	0.4
252.19556	2.0
263.10867	0.5
270.20758	0.7
311.12854	0.6
330.20523	0.4
341.13809	0.6
348.21707	5.2
358.23874	1.1
376.24811	15.0
377.25208	0.5
394.25891	20.1
395.26270	0.4
418.25867	0.5
428.75967	0.3
441.24265	0.4
538.30054	6.9
556.31134	100.0
557.31458	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	556.3118
Annotation	Phe Tyr Val Lys
Peak:m/z	Relative Intensity
53.03957	0.4
54.57250	0.4
55.01854	0.5
55.86107	0.4
56.05034	0.7
57.03430	1.7
58.06600	4.7
60.11968	0.3
61.02922	1.5
61.58654	0.4
66.17769	0.4
67.05492	1.3
69.03429	4.1
70.06587	1.7
70.29596	0.8
71.07375	1.0
71.42828	0.3
72.08154	1.3
73.02894	0.9
75.15485	0.4
79.05482	1.4
81.03409	1.1
81.07067	1.4
82.06581	0.4
84.08141	7.1
85.02901	6.1
86.88720	0.5
87.04469	0.9
91.03983	0.4
91.05486	0.9
93.07032	0.7
96.08132	1.7
97.02908	1.8
97.08927	1.3
98.52114	0.4
99.38602	0.5
103.05492	0.8
105.07030	0.9
107.04926	0.8
107.08598	1.1
109.02898	0.6
110.09680	4.5
111.10480	1.5
112.11174	0.5
119.04949	0.8
121.06541	0.7
121.10160	0.5
123.04442	5.1
124.11249	1.3
127.03920	1.3
128.10718	8.4
131.04945	1.8
131.08623	0.6
133.06512	0.7
137.05992	1.8
138.12813	0.7
147.04391	1.1
149.05994	3.4
151.07439	0.4
152.14314	1.2
161.05989	1.7
163.07529	2.7
168.13829	0.7
175.07590	0.7
179.07063	0.7
182.15399	1.8
186.14841	2.2
187.07544	0.7
189.09192	0.5
224.16513	1.6
238.18201	0.6
242.17502	0.7
252.19574	1.1
358.23859	1.6
376.24817	14.9
377.25323	0.5
394.25879	20.3
395.25974	0.4
538.29987	5.2
556.31140	100.0
557.31482	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	556.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24204	0.7
55.05484	0.8
57.03420	1.7
58.06608	3.9
61.02913	0.7
67.05511	1.0
69.03425	2.6
70.06590	2.6
71.07380	1.0
72.08148	2.2
73.02905	1.2
81.07047	1.6
84.08147	5.8
85.02901	3.2
87.04453	1.3
95.08640	0.8
96.08141	3.0
97.02929	1.1
97.08900	1.2
98.09708	2.8
99.04449	0.9
109.10149	0.7
110.09679	7.7
111.10479	3.3
112.11238	1.0
114.09171	1.3
123.04430	1.6
124.11250	1.9
128.10716	19.8
128.91197	0.7
134.70659	0.7
153.05473	9.6
160.11829	0.6
163.07553	1.3
167.07138	0.8
222.22058	3.6
332.25775	0.9
360.25339	4.6
361.26144	1.3
375.27713	1.4
376.24219	0.6
376.28473	12.0
378.26517	1.9
394.29581	13.1
395.75562	0.9
454.15955	0.7
538.33820	8.7
556.34790	100.0
557.34979	4.3
558.78296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51474	0.3
53.03950	0.5
55.01871	0.9
55.05507	0.6
56.05034	0.8
57.03439	5.4
58.06602	0.4
61.02932	2.0
67.05514	2.4
69.03433	6.6
69.07069	1.5
69.14872	0.3
70.06593	0.8
71.01347	0.5
71.04980	0.8
72.04523	0.8
72.08157	9.1
73.02927	1.7
79.05486	1.5
81.03426	2.1
81.07067	2.5
83.01317	0.4
83.04972	0.3
83.08620	0.4
84.08170	0.4
85.02909	10.2
85.08927	0.5
86.09710	0.4
87.04456	1.6
91.03951	0.6
91.05492	0.3
93.07069	0.9
94.85082	0.2
95.04991	0.6
95.08620	1.7
96.11063	0.3
97.02894	3.8
97.06532	1.9
98.09695	16.5
98.22623	0.3
99.04472	1.0
99.08109	1.6
101.02384	0.5
102.09208	0.6
103.03961	0.4
105.07015	0.3
107.04961	0.8
107.08592	0.7
109.02896	1.1
112.11256	0.2
113.09674	0.8
115.03954	0.5
118.97963	0.3
121.06537	0.4
121.10135	0.6
123.04437	13.3
124.04725	0.3
124.11251	0.5
125.09665	0.8
125.72326	0.3
127.03921	2.2
135.04495	0.3
135.08072	0.3
135.11739	0.5
137.06003	0.5
142.12274	7.1
145.04965	0.8
147.04440	0.8
149.05983	3.0
158.15454	0.7
161.06007	0.5
163.07544	4.3
175.07591	0.4
175.35361	0.3
217.12183	0.3
252.23239	0.9
291.99014	0.3
331.22821	0.7
349.59491	0.3
360.60193	0.4
376.28400	6.3
394.24344	0.4
394.29471	8.7
395.29584	0.4
432.55008	0.3
503.83237	0.3
538.33832	3.1
556.34784	100.0
557.35010	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	556.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01866	1.5
55.05516	1.2
56.05030	1.6
57.03437	6.4
58.06595	0.6
59.04992	0.5
59.91299	0.2
61.02668	0.2
61.02930	2.5
64.84179	0.2
65.03947	0.3
67.05499	4.0
69.03430	9.4
69.07063	2.9
70.06585	0.7
71.01343	0.4
71.04993	1.3
71.22736	0.2
72.04511	1.0
72.08156	8.7
73.02920	1.8
79.05489	2.4
81.03419	3.7
81.07056	4.9
83.01308	0.3
83.04990	0.4
83.08611	0.4
84.08147	0.4
85.02902	16.7
85.06512	0.3
85.08921	1.1
86.09721	0.3
87.04470	2.5
91.03955	0.6
91.05485	0.6
93.07051	1.7
95.04974	1.4
95.08610	3.1
96.08125	0.2
97.02258	0.3
97.02891	6.5
97.06526	3.8
98.09691	19.1
99.04436	1.5
99.08095	3.2
101.02402	0.4
102.09180	0.6
103.03931	0.6
105.07035	0.6
107.04951	1.3
107.08623	1.1
109.02880	2.1
109.10149	1.1
111.04474	0.2
111.08064	0.3
112.11254	0.4
113.09641	1.2
115.03933	0.6
115.07578	0.3
121.06511	0.9
121.10136	0.7
123.04428	22.4
123.11672	0.2
124.04778	0.2
124.11221	0.8
125.09648	0.5
127.03921	3.8
133.06505	0.2
133.10107	0.2
135.04417	0.8
135.08075	0.8
135.11702	0.9
137.05962	1.1
140.14287	0.3
142.12267	9.7
145.04964	1.3
145.06503	0.3
147.04390	1.0
147.08049	0.3
147.11751	0.3
149.05971	5.3
149.13284	0.5
151.07529	0.3
158.15414	0.3
159.08076	0.3
161.05991	1.1
163.07542	9.5
173.05975	0.5
175.07533	0.9
177.09116	0.8
187.07591	0.6
189.05476	0.2
189.09140	0.4
196.16953	0.4
209.08064	1.0
217.12321	0.5
235.13171	0.3
237.14903	0.2
252.23199	1.0
260.19705	0.2
270.24179	0.2
331.22751	0.8
346.31812	0.2
358.27594	0.4
368.97891	0.2
376.28415	5.1
394.29520	12.2
395.30011	0.5
475.89081	0.2
520.33649	0.2
538.33771	3.8
556.34760	100.0
557.35120	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	557.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	2.1
69.23537	2.8
69.23947	5.9
70.06591	1.9
82.99893	4.1
101.00887	33.1
101.20039	1.5
109.01408	3.3
109.02873	3.6
113.00845	8.2
115.60768	1.4
117.04009	2.8
118.89170	1.4
119.01925	46.0
127.02402	15.1
129.04001	3.3
131.01909	24.8
135.05070	2.1
136.63776	1.4
137.02968	4.2
139.02417	1.7
141.04002	6.6
143.01898	33.4
143.02969	2.4
145.03459	61.9
147.01363	4.0
147.05057	2.8
149.03021	2.3
153.03951	1.9
155.01880	26.7
157.03514	10.5
159.05032	24.3
161.02960	41.8
162.03098	2.0
163.04512	8.3
167.01917	11.0
169.02382	0.9
169.03465	55.9
171.01413	6.1
171.05035	12.0
173.02962	30.1
179.01918	4.9
181.03468	10.7
183.05112	3.6
185.02957	58.2
187.04523	91.1
189.02460	21.8
189.06067	2.9
195.05098	2.3
197.02960	18.5
199.04533	22.5
201.02553	1.9
203.04039	14.3
207.03505	2.8
209.03032	2.4
211.04475	15.5
211.79526	1.6
212.94052	1.7
213.02446	21.0
213.05974	2.9
214.85014	8.6
215.00519	1.9
215.03993	12.8
221.05093	4.5
223.04547	4.2
225.02394	7.0
227.04036	13.5
229.05534	8.6
231.03510	26.8
233.01480	2.3
239.04024	2.5
243.03540	6.4
245.05067	90.4
253.05606	1.9
255.03290	1.7
257.01419	10.3
257.05057	4.3
263.06088	11.0
267.03452	2.2
271.06653	18.7
273.04578	2.8
275.02487	74.9
275.06046	10.9
276.02750	2.4
287.02481	27.7
287.05408	1.2
288.02359	1.8
289.07883	1.8
293.03540	16.3
293.07166	4.2
297.04550	4.1
299.02640	2.0
305.03561	27.1
305.07175	8.3
315.05527	6.9
317.03491	4.1
333.06619	4.3
335.04657	34.9
335.08325	6.1
341.03513	6.1
347.08264	2.6
359.04584	27.5
365.09290	10.4
377.05661	70.1
395.06708	100.0
396.06946	3.2
473.87482	1.7
539.10883	12.1
556.31329	3.0
557.03754	2.7
557.11975	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	557.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11739	0.3
69.18856	0.4
69.19248	1.6
70.06586	1.4
76.37139	0.3
79.42432	0.3
84.08116	0.2
86.09711	0.4
98.23450	0.6
121.47009	0.2
132.07832	0.3
183.92636	0.3
186.21552	0.3
191.01329	0.3
229.15543	0.4
292.98419	0.3
317.08444	0.5
393.38882	0.3
403.12189	0.8
425.17877	2.5
427.39297	0.3
453.17789	0.3
503.59460	0.3
556.34875	0.3
557.22034	100.0
558.22583	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	557.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92686	1.9
52.08723	1.8
63.79210	2.0
89.06036	14.9
101.79531	1.9
127.13195	1.7
133.08627	9.6
177.11263	5.5
221.14003	2.1
263.81702	2.2
298.99539	1.7
309.38672	2.1
371.22733	4.2
372.23172	2.7
428.48523	2.0
430.69534	2.2
556.52954	3.2
557.30908	100.0
557.53650	2.7
558.31683	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	557.309
Annotation	Dronedarone
Peak:m/z	Relative Intensity
55.91304	1.0
67.05515	1.2
68.52012	1.2
69.22541	6.9
74.18810	1.2
89.05996	1.3
90.25619	1.2
135.44031	1.3
147.29845	1.1
283.26526	1.5
300.29065	1.6
554.03998	1.5
557.30829	100.0
558.31036	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	557.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.9
56.09761	0.4
58.06598	2.8
67.05501	0.8
68.05019	0.5
69.03436	0.6
69.10393	1.3
69.10812	1.0
70.06591	100.0
71.06931	0.5
71.98485	0.3
72.08163	1.8
74.06081	9.2
79.05487	0.4
81.07050	1.0
84.04502	2.2
84.08141	1.7
85.02912	0.9
86.06062	1.8
86.09702	17.6
88.41946	0.3
89.35693	0.4
91.05475	0.7
95.04980	0.6
95.08602	0.8
96.04480	0.5
96.08153	1.0
98.09678	0.6
98.23399	0.9
99.04452	0.3
101.07137	1.7
105.07044	0.5
109.07691	0.4
112.11272	0.6
113.07149	2.4
114.09166	1.8
115.08685	0.7
119.08579	0.4
120.08110	0.7
121.10152	0.4
124.11253	0.4
127.08675	9.8
128.10764	0.6
129.10236	0.7
131.08157	2.4
132.10207	4.8
137.13283	1.1
138.12750	0.6
141.06525	0.8
142.12213	0.6
143.11794	4.7
145.10204	0.4
155.08145	21.8
158.11745	0.4
159.07643	6.1
166.13342	0.4
168.12248	0.3
169.13361	1.7
171.11324	0.9
172.10820	0.9
173.09273	0.9
175.11151	0.5
187.11018	0.5
187.14442	1.7
197.12939	0.7
201.98535	0.4
210.12411	1.6
212.08601	0.4
212.10263	2.0
215.13913	6.9
215.16208	0.7
226.15576	1.0
228.13440	1.5
233.15028	5.9
233.17305	0.6
238.11862	2.8
251.16470	0.5
256.12924	10.5
268.16611	0.9
272.16071	7.3
274.14032	1.4
290.17130	1.1
311.13550	0.6
323.20920	0.4
325.18625	1.0
341.22144	0.5
369.21298	18.6
370.21692	0.6
377.24893	0.5
387.22354	67.5
388.22714	2.2
398.23843	1.2
408.22351	0.8
426.23489	3.6
467.09317	0.8
497.10831	0.4
521.10681	1.2
521.30273	0.4
539.11566	4.9
539.31757	3.2
540.12207	0.5
540.32013	0.6
557.12427	9.8
557.21259	0.5
557.25342	1.2
557.33228	2.1
558.13031	0.8
558.23041	1.4
558.32501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01867	4.8
55.05516	21.9
57.03435	6.4
57.07074	3.9
63.64709	1.5
65.03935	2.4
67.05505	40.6
69.03426	2.6
69.07074	15.9
71.04996	3.2
71.08646	1.4
79.02280	1.4
79.05495	40.7
81.03421	1.9
81.07057	42.2
83.05000	4.2
83.08630	10.3
85.06568	2.7
89.06042	4.4
91.05481	43.1
93.07048	39.8
95.04988	8.2
95.08603	29.2
97.06535	4.1
97.10185	6.0
98.22681	5.3
99.08091	1.7
103.05491	2.9
105.04557	2.9
105.07032	37.0
107.04977	4.9
107.08592	18.9
109.06510	3.6
109.10160	12.9
111.08096	3.1
115.05455	4.0
117.07021	22.7
119.08585	31.5
121.10146	9.6
123.08028	3.9
123.11745	2.9
125.09618	2.9
128.06236	3.8
129.06993	21.1
131.08566	29.5
133.06511	2.8
133.08583	1.5
133.10143	20.7
135.08092	1.9
135.11707	7.0
141.06967	7.1
142.07794	5.4
143.08566	24.7
145.06483	3.1
145.10133	24.9
145.11229	2.5
147.11690	18.9
149.09598	2.7
149.13252	3.8
153.06993	2.1
154.07753	2.8
155.08566	19.2
156.09331	3.7
157.10117	18.4
159.08092	2.4
159.11719	16.4
161.09622	2.1
161.13272	13.3
163.11252	2.7
165.07005	1.6
167.08522	8.5
168.09280	3.1
169.10101	21.6
171.08060	1.7
171.11703	27.3
173.09633	2.7
173.13237	10.9
175.11194	2.0
175.14845	4.6
179.08559	4.0
181.10138	14.2
183.11696	17.2
185.13249	14.0
187.11253	2.8
187.14893	4.8
193.10176	5.2
195.11713	12.2
197.13213	11.1
199.11446	2.0
199.14816	9.7
201.16367	2.2
207.11845	3.2
207.13879	5.3
209.13211	10.1
211.14767	9.8
213.16391	9.8
221.13329	2.0
223.14893	5.7
225.16403	3.6
229.28909	1.7
233.13330	2.3
235.14835	2.3
237.16484	4.2
239.17923	2.8
241.19577	9.9
247.14816	3.7
247.17122	2.7
249.16359	2.2
257.19077	2.9
259.20572	17.7
279.16080	4.7
281.17450	13.7
285.18713	2.0
285.21887	1.5
315.23343	2.4
323.23624	2.7
333.24191	6.2
337.25327	2.3
341.24945	1.7
349.25345	1.8
351.22934	2.2
397.27066	1.8
419.33563	3.3
429.31696	5.0
437.34125	9.5
447.32648	27.0
465.33551	21.8
477.04865	2.1
483.34952	14.4
497.21445	1.8
501.36029	2.7
503.34659	1.9
511.37735	2.0
521.36383	10.9
527.37469	4.3
529.39038	8.3
539.37335	100.0
540.37396	3.7
557.24902	2.8
557.38403	55.5
558.38745	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	558.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
56.05037	2.9
67.05506	3.5
69.07050	2.8
69.54620	6.2
71.07372	12.6
80.27663	1.1
81.07058	3.2
86.09705	77.9
89.88504	1.2
95.08625	3.1
104.10737	4.2
109.10167	1.9
135.98720	1.3
162.95569	66.8
181.93445	1.4
337.27310	2.6
346.84583	1.3
454.04074	1.4
499.22205	100.0
500.22501	4.0
558.29510	54.9
559.30121	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	559.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36167	2.6
56.96564	12.5
69.50451	6.3
70.06597	5.3
84.08130	4.1
84.96042	4.2
86.09727	3.1
98.23485	3.5
98.97575	52.0
103.05457	32.5
110.97575	33.9
112.99136	12.3
116.98640	19.1
128.98613	35.5
130.71289	2.5
131.00186	7.6
131.04933	43.2
134.99643	4.4
136.61041	2.6
144.98151	3.8
146.99652	16.5
149.01241	5.4
149.05984	23.0
155.00157	3.6
158.99680	8.4
170.99641	42.8
173.01271	7.7
177.00702	5.0
187.00769	4.2
189.00708	80.8
199.90311	2.9
205.01712	16.9
207.01741	17.7
212.02219	3.2
218.99724	4.1
223.02776	39.1
231.01749	13.3
237.00781	3.2
241.03859	6.6
249.02829	17.6
257.01181	5.6
259.02725	6.0
265.03766	3.5
267.03790	3.8
277.03912	6.9
291.03854	60.8
309.04907	25.6
319.04718	4.2
330.84705	2.3
332.06583	2.5
337.05948	4.9
351.06085	15.5
379.06985	100.0
397.08102	27.6
411.08130	4.6
439.09357	4.5
445.50516	3.3
483.24216	2.9
505.12799	2.9
559.13013	4.2
559.23401	9.8
559.32312	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	559.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01595	0.7
53.03945	1.0
53.43537	0.6
55.01854	0.8
55.05508	0.9
56.05032	0.8
57.03431	4.8
58.03783	0.9
58.06619	0.8
61.02924	2.0
67.05503	2.6
69.03424	6.7
69.07062	1.2
70.03765	1.4
70.06590	2.3
71.04995	1.0
71.09021	0.8
72.08156	7.6
73.02904	1.2
73.08500	2.1
79.05497	2.1
80.05836	0.7
81.03413	2.1
81.07056	2.0
84.08137	0.9
85.02900	11.4
85.08918	0.7
86.03237	2.9
86.09705	1.4
87.04470	1.4
93.07002	0.8
95.08595	1.4
97.02863	3.7
97.06541	1.5
98.09684	13.5
98.22684	0.8
99.08097	1.7
99.10012	4.9
100.10292	1.0
102.09191	0.8
123.04437	10.0
124.04751	4.1
124.11270	0.8
125.04947	1.1
127.03918	2.3
128.04211	0.9
142.12242	4.5
143.12630	2.5
149.06029	2.4
150.06332	1.0
163.07571	2.3
164.07886	1.4
165.08173	1.0
243.43364	0.8
376.28497	1.0
377.28864	2.2
378.29013	2.2
394.29260	2.1
395.30093	3.6
396.30240	4.0
397.30609	1.4
430.24994	0.7
432.45749	0.8
432.65582	0.8
444.35748	0.8
540.34265	3.3
541.33154	0.9
558.35394	100.0
559.16339	5.1
559.35681	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.4
57.03390	0.4
62.07151	0.4
67.05421	0.6
69.03368	0.9
70.06523	1.3
72.08096	0.8
73.38999	0.4
73.58778	0.4
81.06972	0.9
84.08080	0.6
85.02839	1.6
85.03297	0.4
86.09616	1.4
87.04422	1.1
91.05422	0.4
93.06975	0.8
95.04886	0.5
95.08566	0.8
97.02827	1.0
97.06480	0.4
99.04407	0.7
103.03876	0.9
105.06984	0.6
107.08534	0.6
109.02793	0.5
118.99928	0.4
119.08488	1.2
120.08031	0.4
121.02784	1.7
121.10073	0.6
127.03923	2.1
145.04869	0.8
161.09546	0.5
163.06024	0.6
165.08997	0.5
173.13132	0.5
175.11162	0.6
184.54216	0.5
185.04234	0.4
203.05237	0.5
217.15807	1.0
235.16975	2.4
253.12178	0.7
295.05963	1.7
307.05948	1.4
308.06531	0.5
309.07446	0.5
321.07629	0.6
325.07095	1.2
329.08633	0.7
337.06927	0.6
349.07098	0.8
351.08569	0.7
363.08563	0.7
374.32379	0.5
375.22681	0.4
379.24524	2.3
391.07971	0.7
397.25629	69.3
398.26154	1.4
409.09283	1.0
409.18454	0.6
415.19489	0.7
421.08975	0.8
439.10245	0.7
471.19116	0.4
472.37433	0.5
497.23569	1.4
497.30844	2.0
499.21567	0.6
505.11429	0.6
512.70917	0.5
523.12469	1.0
541.13708	1.4
559.23480	16.7
559.31030	100.0
560.23425	1.0
560.31097	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	559.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98965	0.5
53.86597	0.5
55.05506	1.1
57.03460	0.4
63.49276	0.5
67.05499	1.1
68.58123	0.5
69.03429	1.2
69.37780	0.5
69.70467	2.0
70.06593	2.0
71.05008	0.6
72.08156	1.1
79.05480	0.7
81.07059	1.2
83.05016	0.7
83.08619	0.5
84.08134	1.3
85.02907	2.6
86.09720	1.0
87.04446	1.4
89.92123	0.4
93.07039	0.7
95.08591	0.9
97.02873	0.6
99.04460	1.0
99.69802	0.5
103.03953	1.2
105.07037	1.5
107.08601	1.2
109.02934	0.6
109.10178	0.7
119.08578	1.0
120.08095	0.6
120.34045	0.5
121.02866	2.8
121.06521	0.7
123.08084	0.6
125.46000	0.5
127.03901	1.6
129.10196	0.6
133.10150	0.8
135.11710	0.9
136.97824	0.6
145.04935	0.5
147.07993	0.5
147.11627	0.7
147.81665	0.5
161.09593	0.6
163.06009	0.8
170.49376	0.5
175.11116	0.8
180.35497	0.5
185.04283	0.6
199.14867	0.7
203.05310	0.8
217.15887	1.2
230.60851	0.5
235.16942	4.0
239.82578	0.5
245.04520	0.8
253.12062	0.8
259.37903	0.6
265.45703	0.5
295.06064	1.5
307.05951	1.4
308.06625	0.7
309.07596	0.8
317.24426	0.6
323.09180	0.7
335.26398	0.6
339.18921	0.6
347.09106	0.6
351.08636	0.6
379.24573	2.5
397.25623	72.4
398.25885	2.1
409.09100	0.7
409.18265	1.4
415.19299	1.3
471.18567	1.1
497.23676	3.0
497.30734	2.0
505.10934	0.6
515.31476	0.8
523.12067	1.4
541.13403	0.9
549.44580	0.6
559.23358	28.7
559.30811	100.0
560.23120	1.3
560.31091	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	559.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05029	2.7
59.89408	0.6
60.14875	0.7
62.57498	0.7
69.07072	0.9
70.06234	1.1
70.06592	12.4
70.14470	1.6
71.06937	1.0
72.08163	7.1
82.03197	0.6
84.04512	9.9
84.08145	54.5
85.02886	1.1
86.09709	100.0
88.03970	0.7
96.04499	0.8
101.10793	3.0
102.05553	4.2
110.07164	1.4
112.08719	1.3
113.07143	1.8
115.08631	0.8
115.65161	0.7
127.08715	1.0
129.10249	34.0
130.05028	0.7
130.08652	18.1
136.07585	1.3
141.06602	2.0
141.10233	2.4
147.11295	9.8
149.43254	0.6
152.97188	0.7
157.09711	1.5
157.13371	0.8
163.03989	1.1
169.06186	1.1
169.09763	2.5
186.12407	6.0
187.07243	1.4
187.10771	3.3
199.18074	14.9
201.12340	0.8
204.13445	23.0
215.13974	2.2
227.17548	7.5
243.13521	1.5
296.67010	0.7
315.16644	12.2
333.17679	10.9
356.21909	1.9
413.24152	1.2
446.26151	2.9
481.91620	0.8
486.17535	0.7
559.34637	97.1
560.34924	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01871	4.7
55.05505	16.8
57.03446	8.7
57.07062	2.7
65.03909	2.3
67.05502	37.9
68.08058	1.3
69.03446	1.5
69.07070	14.2
71.04993	4.0
79.05492	45.7
81.03431	2.9
81.07056	38.0
83.04978	5.7
83.08630	9.6
85.06528	2.5
86.14693	1.3
90.56759	1.2
91.05479	41.2
93.07046	57.7
94.06554	1.5
94.07342	1.6
95.04969	11.4
95.08607	43.1
97.02873	3.0
97.06521	5.1
97.10162	2.2
99.04458	2.0
103.05467	1.7
104.10731	3.6
105.04482	1.4
105.07027	39.3
107.04965	8.6
107.08595	43.2
109.06497	3.9
109.10143	10.4
111.04486	2.0
111.08109	1.8
115.05459	1.5
117.07007	17.0
119.08584	34.0
121.06511	6.1
121.10143	22.6
123.11642	2.9
125.05975	2.9
129.06995	4.7
130.07861	2.1
131.08560	14.9
132.29948	1.5
133.10129	28.5
135.08095	2.1
135.11688	48.0
139.07565	2.4
143.08580	8.0
145.10124	40.9
147.08058	1.7
147.11690	29.4
149.09601	2.6
149.13251	7.8
157.10089	6.8
159.11658	11.5
161.13260	21.9
163.11177	53.0
163.14827	4.7
171.11638	8.4
173.13222	8.4
175.14795	15.2
181.12242	6.2
184.07288	2.7
185.13284	6.8
187.14803	2.4
199.14830	4.6
201.16451	1.6
209.11679	1.8
213.16344	1.7
215.17865	2.8
227.12775	100.0
228.13269	1.7
231.21001	3.7
241.19493	34.1
259.20575	71.0
267.16080	2.1
275.20135	4.3
283.15396	48.0
315.23306	8.3
315.26547	1.5
333.24246	65.5
351.43762	1.7
400.41147	1.6
449.30151	2.0
467.31393	1.7
501.19827	1.9
535.93774	1.6
541.35077	22.7
559.30554	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	560.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28330	1.1
54.00396	1.2
54.16934	1.1
55.01879	1.2
55.05513	8.4
56.05038	4.3
57.03455	1.6
58.06589	2.0
66.55604	1.2
67.18378	1.1
69.03428	1.8
69.07056	7.0
69.76312	1.8
69.76633	2.7
70.06590	11.4
72.08160	100.0
74.33923	1.1
77.03808	1.2
79.05490	3.4
81.03416	1.3
81.07064	1.8
83.05004	1.2
84.04507	54.2
84.08139	6.4
85.02911	4.1
86.09710	81.6
87.10064	1.6
93.07051	2.8
96.08171	1.7
97.02911	2.0
97.06575	1.4
98.09698	7.0
99.04475	1.6
102.05547	28.3
107.08559	1.3
110.07156	1.6
112.50085	1.3
116.07092	4.7
118.08689	2.4
120.08150	1.3
123.11717	1.5
126.81521	1.3
129.06606	20.5
129.10251	55.5
129.75275	1.3
130.04987	2.3
130.10590	1.3
131.04951	1.3
132.28708	1.2
141.06674	1.4
141.12749	1.6
142.12283	6.4
143.11830	1.8
144.06577	37.2
145.04976	1.7
152.10690	2.7
157.09723	6.2
162.07626	72.3
170.11798	9.5
171.11339	2.0
175.10825	3.0
185.16516	1.4
197.12869	47.7
201.12332	3.5
213.16158	1.3
215.13924	36.7
219.15791	1.5
225.12360	27.7
225.14471	2.1
229.11757	1.3
243.13376	11.5
252.17352	1.3
254.14999	3.8
261.14529	10.2
282.14438	8.5
286.13943	2.3
300.15561	23.9
318.16644	10.2
353.21866	39.9
371.22900	19.7
380.27805	2.7
381.21365	10.7
394.84409	1.4
398.29019	5.1
399.22363	18.0
457.82803	1.2
510.95862	1.4
542.33209	3.6
560.35065	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	560.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.9
60.08162	17.8
66.92667	1.2
71.07353	7.1
74.35702	1.1
79.05485	2.1
86.09711	52.7
91.05508	2.3
93.07040	2.0
98.98460	3.5
104.10744	100.0
105.06994	1.4
125.00011	26.0
129.96764	1.3
133.10172	1.2
135.08073	1.4
184.07349	95.2
230.75089	1.4
253.42314	1.2
351.92221	1.6
378.21695	1.4
510.99652	1.4
542.32275	7.2
560.33392	38.3
561.33459	1.4
568.61804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99089	6.9
55.05517	16.2
67.05489	40.4
68.05859	7.9
68.80925	7.0
69.07063	14.5
71.15314	7.5
74.91338	8.0
75.88187	6.9
79.05488	27.1
81.07067	46.7
82.07395	8.0
83.04948	7.5
86.09702	28.0
91.05480	20.9
93.07047	30.9
95.08604	21.3
97.06514	8.9
98.23543	10.4
98.87916	8.4
102.07458	7.8
104.10744	100.0
105.07019	26.1
106.07370	9.6
107.08602	22.8
109.10163	21.2
117.07074	7.9
119.08587	16.1
121.10133	16.0
123.11713	10.5
129.07030	9.0
131.08574	8.4
132.21805	7.0
133.10088	12.9
135.11691	12.5
145.10141	12.6
147.11668	16.4
149.13252	8.3
173.13338	6.9
174.60178	8.5
217.75056	9.0
243.21184	16.7
260.08197	11.7
261.22177	51.9
275.20029	9.8
276.20364	7.8
288.41489	8.1
299.07062	11.0
324.19714	8.1
335.25742	8.8
353.26828	18.4
421.92935	9.5
463.05042	8.3
493.36728	7.3
501.22348	19.7
560.28577	22.8
560.36450	21.9
561.34113	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.05507	12.5
57.03434	3.4
57.07070	4.4
61.02915	3.1
65.03940	2.8
67.05505	71.8
68.45914	1.8
69.07070	16.1
71.08673	2.6
71.45533	2.1
73.26583	2.0
76.16098	2.4
79.05498	40.7
81.07059	81.3
81.19393	2.0
83.04974	2.5
83.08608	11.4
85.02897	3.4
85.06539	4.7
91.03925	1.9
91.05475	23.4
93.07050	52.9
94.07399	2.8
95.04954	7.6
95.08608	68.0
97.02896	3.1
97.06505	3.2
97.10159	4.0
99.08067	2.4
105.07024	17.8
106.50252	1.9
107.04961	2.0
107.08590	35.4
109.06534	2.9
109.10155	38.9
111.11745	1.8
117.07027	8.1
118.31759	2.0
119.08583	19.4
121.10139	36.7
123.11696	20.3
131.08569	15.5
131.28674	1.9
133.10141	16.1
135.11687	27.1
137.13239	6.5
145.10088	11.6
147.04645	1.9
147.11674	13.0
149.13260	18.0
159.11707	8.3
161.13229	7.0
163.14801	6.1
165.12724	2.5
173.13281	11.6
175.14801	5.9
177.16411	5.6
179.14301	2.8
187.14783	6.9
189.16365	4.2
191.18077	2.3
195.38150	1.9
201.16440	3.4
218.53847	1.8
219.17545	2.4
241.19418	3.2
247.20493	2.4
257.62546	1.8
259.08862	2.0
259.20532	5.9
261.25732	3.7
267.15985	3.6
271.24185	13.1
275.77521	1.8
277.85590	2.0
285.16934	4.6
289.25262	100.0
290.25494	2.5
291.19589	2.1
291.26855	3.8
307.26489	2.3
312.02963	1.8
333.24237	4.2
363.28940	17.8
381.29959	36.6
525.36572	2.3
543.36340	2.5
560.36047	5.3
560.44916	5.1
561.31854	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1582
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
54.37171	0.7
55.57688	0.8
57.42326	0.7
70.06570	2.1
72.08144	2.0
84.08137	1.0
86.09700	1.2
126.65591	0.8
149.82965	0.8
185.04181	3.0
201.01567	2.1
204.12785	1.0
217.21866	1.0
302.11816	0.8
315.05606	1.0
328.18872	0.9
354.54370	1.0
364.07422	1.2
399.10590	9.1
518.93134	0.9
548.42560	1.0
561.15540	100.0
562.15320	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	561.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57985	3.2
59.46193	3.5
66.21033	3.8
71.46427	3.7
81.67777	3.9
84.04499	4.2
89.35825	4.3
99.07275	3.8
140.19382	3.4
150.49762	3.8
279.40701	3.9
450.68954	4.3
470.17163	4.1
561.17200	100.0
561.24963	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	561.1946
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
58.99537	0.4
60.64548	0.4
65.82439	0.3
70.06576	0.4
70.17308	0.9
98.23353	0.4
147.41530	0.4
158.84651	0.4
175.03633	2.1
185.04259	0.5
202.05991	4.2
219.06352	1.3
351.10565	5.4
365.12103	4.6
379.15967	0.4
399.14185	5.5
457.32709	0.5
518.36438	0.4
561.19421	100.0
562.19934	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	561.1945
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
50.30841	0.6
51.75029	0.6
57.14328	0.7
70.06601	0.9
70.61604	0.9
70.61943	0.8
71.21556	0.8
72.08167	1.4
83.01113	0.8
86.09717	0.8
95.01086	2.2
103.22136	0.7
103.33102	0.9
113.02145	3.2
131.04919	0.9
167.03215	0.7
172.80525	0.7
185.04202	6.1
185.05711	1.2
201.03674	1.3
202.06071	4.5
203.05193	1.3
348.92664	0.9
349.43826	0.9
365.12155	1.5
561.19403	100.0
562.19653	3.0
583.61823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20262	0.6
69.36312	2.7
72.08151	0.7
83.01097	1.0
91.05494	0.6
95.01070	3.0
96.01881	1.5
98.23439	1.4
99.87895	0.5
103.05493	1.5
112.01379	0.7
113.02144	3.0
131.04938	2.9
154.00587	0.6
157.04729	1.0
167.03215	0.6
185.04265	4.6
185.05733	1.3
201.03786	0.9
202.06035	5.0
203.05188	3.3
230.95753	0.6
300.92947	0.7
365.12100	1.3
561.19415	100.0
562.19537	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	561.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07084	0.6
69.20268	0.4
69.20668	1.0
70.06599	0.5
72.08144	0.3
74.55367	0.2
80.53368	0.2
81.03169	0.3
84.08198	0.2
85.02866	0.4
86.09718	0.6
86.60617	0.2
93.07020	0.2
97.02918	0.3
98.22732	0.5
99.04476	0.5
103.03926	0.5
127.03719	1.3
131.74860	0.2
145.10242	0.2
174.84152	0.2
185.04240	0.8
189.48523	0.2
203.05396	0.3
267.08389	0.2
285.09332	1.2
287.07437	0.9
313.16248	1.8
329.08420	1.9
345.07663	0.4
347.09451	3.6
347.13245	0.2
355.17331	0.4
395.20419	7.5
397.18250	2.7
399.27203	0.5
417.20865	0.3
439.19485	0.7
457.20438	18.9
458.20541	0.9
499.25061	0.6
501.22836	0.3
561.25159	100.0
562.25519	4.7
562.33447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89086	0.3
67.05489	0.5
69.03435	0.6
69.07063	0.4
70.06590	1.0
70.77319	0.5
72.08167	0.4
81.03440	0.4
81.07059	0.7
84.08144	0.4
85.02900	0.6
86.09698	0.6
93.07051	0.4
97.02924	0.4
98.09721	0.4
99.04419	0.4
103.03964	0.7
107.08653	0.5
109.02865	0.3
109.10143	0.3
119.08570	0.4
121.10228	0.3
127.03811	1.6
145.04964	0.3
145.10152	0.4
163.05974	0.4
175.08682	0.8
185.04193	0.6
228.60612	0.3
285.09479	1.0
287.07581	0.6
313.16339	1.4
329.08569	1.7
329.15732	0.7
345.07516	0.4
347.09518	3.0
395.20407	4.0
397.18176	1.6
411.19879	2.6
413.17795	1.7
417.20996	1.4
439.19183	0.5
457.20483	10.9
473.19800	1.8
499.25391	2.3
501.23123	1.4
543.23285	0.4
559.54901	0.3
560.37061	0.6
561.25140	100.0
562.25446	3.8
562.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89086	0.3
67.05489	0.5
69.03435	0.6
69.07063	0.4
70.06590	1.0
70.77319	0.5
72.08167	0.4
81.03440	0.4
81.07059	0.7
84.08144	0.4
85.02900	0.6
86.09698	0.6
93.07051	0.4
97.02924	0.4
98.09721	0.4
99.04419	0.4
103.03964	0.7
107.08653	0.5
109.02865	0.3
109.10143	0.3
119.08570	0.4
121.10228	0.3
127.03811	1.6
145.04964	0.3
145.10152	0.4
163.05974	0.4
175.08682	0.8
185.04193	0.6
228.60612	0.3
285.09479	1.0
287.07581	0.6
313.16339	1.4
329.08569	1.7
329.15732	0.7
345.07516	0.4
347.09518	3.0
395.20407	4.0
397.18176	1.6
411.19879	2.6
413.17795	1.7
417.20996	1.4
439.19183	0.5
457.20483	10.9
473.19800	1.8
499.25391	2.3
501.23123	1.4
543.23285	0.4
559.54901	0.3
560.37061	0.6
561.25140	100.0
562.25446	3.8
562.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.4
56.05835	1.9
57.03422	7.9
57.07086	2.7
57.60787	1.8
65.03936	3.2
67.05504	60.4
67.07290	1.8
68.05836	2.7
69.07068	24.3
71.04993	3.4
79.05490	41.5
81.07053	100.0
82.07363	6.0
83.04976	5.8
83.08598	11.5
85.06532	5.1
91.05480	50.4
93.07040	46.3
94.07385	4.5
95.04961	7.0
95.08020	2.8
95.08603	39.4
96.08928	5.0
97.06526	9.3
97.10152	2.5
99.08102	5.2
105.07033	58.0
107.08590	25.5
108.08950	2.5
109.06516	4.5
109.10152	17.7
110.10488	4.2
111.08125	2.2
117.07023	9.6
119.08571	49.8
121.06512	2.3
121.10138	33.6
122.10458	4.8
123.08070	5.1
123.11709	21.9
125.09634	2.1
127.07552	3.1
129.07002	6.2
131.08536	15.0
133.10124	22.6
135.11702	14.7
136.12050	2.5
143.08530	7.1
145.10086	15.1
147.11679	63.9
148.11984	3.5
149.09500	2.2
149.13264	9.4
157.10150	5.0
159.11641	11.6
161.13239	17.7
163.11130	2.2
163.14796	3.9
165.12740	24.9
171.11693	5.7
173.13255	12.4
175.14803	13.1
183.11569	2.3
183.13799	3.8
185.13297	6.4
193.12193	2.5
199.14870	2.6
229.14357	7.0
231.21021	3.9
241.19554	22.4
259.20566	47.1
267.15921	32.6
272.24576	2.3
277.21777	3.4
285.16940	37.6
289.25272	11.3
290.25626	19.4
315.23151	5.3
333.24249	33.8
351.25140	3.8
364.29282	4.8
381.30038	3.9
382.30319	9.6
469.33014	3.5
492.16544	2.0
497.82587	2.0
525.35699	4.8
543.36664	17.9
561.31738	95.2
562.31659	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	562.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05917	17.2
67.05490	16.7
69.54055	54.2
71.07332	16.2
81.07064	33.8
86.09714	73.6
87.23526	15.9
95.08617	29.2
136.17841	16.5
164.95418	37.2
184.07353	42.2
201.18968	15.9
239.15756	14.9
263.23740	44.9
299.06937	24.6
314.56543	16.6
325.32330	16.1
337.27380	25.5
372.68304	14.5
378.50888	14.6
397.10852	16.6
413.99399	18.1
471.88943	14.9
503.23889	100.0
562.30499	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88234	10.9
62.03029	12.1
63.58360	11.2
64.14095	12.1
67.05511	22.2
69.18910	10.7
71.92264	12.7
81.07082	25.7
95.08616	24.5
100.04061	11.2
104.10748	100.0
109.10142	15.6
134.44266	10.9
231.37411	12.2
245.22664	53.1
263.23767	59.1
337.27390	33.1
446.80801	12.7
503.23788	26.8
515.48145	13.3
562.30463	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05506	8.9
57.03444	3.8
61.02918	2.9
65.03920	2.4
67.05505	21.0
68.86550	1.4
69.07069	14.1
69.59048	5.0
71.04987	3.0
79.05495	19.7
81.03400	2.9
81.07059	57.8
83.04973	3.5
83.08619	10.2
85.02909	1.7
85.06564	2.1
91.03901	1.5
91.05480	17.8
93.07040	13.8
95.04989	6.7
95.08615	13.8
97.02882	1.8
97.06538	5.3
98.22562	1.6
105.07031	17.0
107.04925	6.3
107.08593	14.6
109.06516	25.4
109.10150	4.6
111.08066	3.4
113.06066	1.2
117.07027	4.4
119.08562	15.3
121.06499	1.9
121.10147	9.8
122.53680	1.2
123.08076	5.2
123.11709	3.0
125.09594	1.3
131.08563	8.1
133.10097	10.3
135.08081	2.6
135.11646	4.7
136.69395	1.2
137.09642	3.5
141.73589	1.3
145.10135	5.8
145.76297	1.2
147.11681	13.0
149.09607	4.5
149.13266	5.1
151.11133	2.9
157.10089	3.7
159.11713	6.8
161.13264	2.9
163.11205	4.8
163.14861	1.8
165.12746	2.3
171.11856	1.7
173.09627	1.3
173.13272	3.0
175.11157	1.5
177.12808	1.5
193.12256	2.4
197.13074	1.6
197.83652	1.4
222.32523	1.6
229.19580	3.0
239.18103	1.7
247.20552	5.3
257.19104	3.6
275.20062	44.6
293.21072	7.8
294.06613	1.4
349.23730	100.0
350.23993	2.2
367.24789	65.8
379.08160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17828	3.1
55.01867	7.6
55.05510	19.2
57.03437	17.2
58.63864	3.6
61.02908	5.6
67.05501	50.8
67.86532	3.0
69.03423	10.8
69.07056	19.3
70.73859	4.3
71.05007	4.0
79.05491	39.0
81.03407	6.0
81.07059	53.0
83.04980	10.0
83.08595	17.5
85.02904	10.0
85.06538	5.8
91.03949	5.0
91.05478	44.7
93.07040	52.2
95.04967	20.8
95.08607	32.4
97.02918	4.9
97.06541	9.6
97.10173	7.1
99.04425	4.3
105.07036	45.8
107.04985	5.6
107.08580	37.9
109.06570	4.5
109.10168	8.2
111.04471	4.8
111.08112	7.4
117.07040	20.4
119.08582	48.6
121.02815	4.4
121.06492	5.5
121.10145	19.4
123.08077	4.7
123.11714	7.8
125.09660	9.3
129.07019	12.9
131.08569	32.3
133.10104	27.2
135.08044	5.9
135.11688	15.4
137.09573	4.1
143.08559	6.1
145.10129	37.8
147.11655	19.7
149.09613	16.4
149.13237	5.6
157.10141	12.1
159.11670	29.6
161.13312	9.0
163.11168	14.2
169.10201	4.3
171.11736	6.8
173.13293	13.3
175.14827	4.1
177.12756	7.7
183.11703	5.0
185.13197	17.4
187.14743	4.7
197.13184	6.8
201.16351	4.4
203.14377	8.9
217.15889	6.9
219.17467	7.2
223.13280	6.1
227.12848	3.8
229.14401	10.7
229.19542	6.9
239.17865	18.1
245.13783	3.4
255.15927	14.0
257.19006	32.0
269.17456	29.2
275.20047	62.1
283.95761	3.1
293.21094	11.8
295.05972	6.9
309.20511	7.8
325.06934	4.7
349.07083	4.2
349.23700	100.0
367.24823	68.1
379.08325	5.6
511.12042	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66169	2.9
55.01863	5.3
55.05515	25.7
57.03430	11.4
57.36809	2.6
65.28939	3.1
67.05507	37.3
69.03443	7.4
69.07076	23.9
69.71989	9.6
79.05496	35.8
81.03429	8.0
81.07063	35.0
83.04970	6.2
83.08628	15.3
85.02917	9.0
85.06513	5.0
91.03947	4.0
91.05479	33.7
93.07052	41.8
95.04982	23.5
95.08613	21.9
97.02897	7.0
97.06557	14.8
97.10172	13.9
103.03928	3.0
105.07027	26.4
107.04935	8.9
107.08602	38.0
109.06519	7.2
109.10172	15.9
111.04430	3.4
115.05428	4.1
117.07003	9.7
119.08594	25.1
121.02888	3.5
121.06538	5.9
121.10151	13.1
125.09635	15.1
129.06987	5.9
129.84535	2.6
131.08559	17.2
131.24911	3.2
133.10146	25.7
135.11671	12.7
137.09586	3.9
145.10141	22.9
147.11708	8.9
149.09619	15.5
149.13313	5.3
149.64343	2.8
151.11241	3.0
157.10143	5.4
159.11684	17.4
161.13197	6.1
163.11200	11.3
165.22119	2.8
171.10223	5.9
171.11604	3.3
173.11848	4.1
173.13330	8.1
177.12776	4.9
179.14307	4.5
189.11263	10.3
197.13138	3.7
217.15822	3.6
223.13370	11.6
227.12798	11.7
229.14352	13.8
239.17934	8.1
245.13852	3.6
247.20584	4.2
248.77876	3.0
255.15871	8.7
257.19119	15.2
269.17398	20.8
275.20050	46.1
293.21078	12.6
303.37775	3.1
309.20679	3.5
349.23764	100.0
367.24802	38.4
379.08401	4.7
409.09015	4.0
498.62683	3.1
529.13159	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73494	1.6
53.03943	2.7
55.01869	5.2
55.05514	10.2
57.03434	5.3
57.96853	1.5
61.02916	3.0
67.05511	20.6
69.07063	14.0
69.60226	5.6
74.85851	1.5
79.05498	17.3
81.03415	3.4
81.07059	49.9
83.04960	3.3
83.08610	7.9
85.02907	3.3
85.06522	2.2
91.01071	2.2
91.05469	15.1
93.07047	17.0
95.04967	4.7
95.08611	15.6
97.06535	6.0
97.10165	3.0
105.07030	15.3
107.04967	6.0
107.08597	14.8
109.06518	19.8
109.10167	4.9
111.08120	3.3
115.10403	1.8
117.07017	4.6
119.08577	14.2
121.06564	3.5
121.10185	8.7
123.08086	6.1
123.11739	2.2
125.09649	2.0
129.06998	2.3
131.08601	6.9
133.10063	10.4
135.08029	1.8
135.11713	2.8
137.09616	3.5
137.84422	1.7
143.08510	2.1
145.10104	8.2
147.11687	8.9
149.09618	5.6
149.13269	5.1
151.11200	2.6
157.10110	3.0
159.11711	4.5
162.66179	1.7
163.11200	2.9
163.14827	1.8
165.12788	2.2
169.10127	2.3
173.13217	3.2
175.11150	1.6
177.12752	2.4
193.12286	1.8
195.13940	1.8
227.12650	2.0
247.20695	3.1
257.18961	3.3
269.17416	1.8
275.20041	30.8
293.21094	11.9
349.07114	1.9
349.23715	75.2
367.24796	100.0
368.25070	3.3
529.30347	2.8
565.25555	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01879	7.4
55.05513	20.9
56.98964	1.7
57.03437	7.7
58.13248	1.4
61.02908	4.8
65.03921	1.8
67.05505	27.3
69.03407	3.6
69.07068	16.6
69.14374	9.9
70.06598	4.8
71.04995	2.8
79.05498	34.9
81.03386	2.1
81.07050	26.8
83.04958	2.3
83.08624	12.5
85.02905	7.0
85.06537	2.1
91.03959	1.8
91.05482	26.0
93.07043	22.4
95.04980	3.3
95.08600	15.3
97.02900	3.6
97.06538	4.5
97.10183	14.5
99.08105	1.9
103.03884	1.5
105.04533	1.6
105.07030	31.2
107.04962	5.3
107.07925	2.8
107.08598	35.7
109.06514	3.4
109.10156	11.0
111.08075	2.9
117.06996	11.5
119.08570	20.5
119.83251	1.4
121.02847	2.0
121.06499	3.7
121.10172	8.4
123.08044	1.9
123.11705	2.7
125.09627	18.2
127.03918	2.1
129.07031	3.8
131.08559	15.0
133.06537	1.7
133.10136	15.5
135.08080	4.0
135.11684	4.5
137.09607	1.6
143.08557	5.2
145.10127	17.7
147.11696	10.1
149.09607	7.4
149.13330	2.2
151.11224	1.8
155.08521	2.6
157.10155	3.5
159.09198	3.2
159.11681	12.2
161.13222	3.5
163.11182	4.5
169.10114	3.9
171.10242	3.0
171.11703	4.1
173.11859	3.0
173.13303	6.6
177.12700	2.3
183.11610	3.2
185.13260	3.2
189.11238	12.0
195.02948	1.5
203.14284	2.9
219.17410	1.9
227.12772	17.5
229.14328	6.5
229.19484	1.8
234.73018	1.5
239.18021	7.6
245.13799	9.7
257.18988	19.0
269.17578	2.6
275.17090	1.9
275.20071	37.4
286.11844	1.9
293.21152	2.7
294.05515	1.5
295.06039	4.3
307.06058	2.9
321.07727	2.3
325.06961	3.8
331.22702	2.0
333.07410	2.6
333.11166	1.8
335.09128	2.0
337.07077	2.0
349.23740	100.0
350.24075	2.8
361.06955	1.9
361.46750	1.4
367.24939	7.4
377.43686	1.6
379.07907	4.0
380.59250	1.7
389.17987	2.6
391.08118	1.9
409.09076	3.1
427.10150	2.0
499.11993	3.1
511.12222	3.3
564.34753	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	565.155
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01872	6.8
70.18717	3.5
70.19050	6.4
85.02898	3.9
104.36333	2.6
107.05002	3.2
108.69919	3.2
119.04935	7.9
121.02864	40.3
145.02852	5.5
150.87209	3.1
159.04538	3.4
161.05821	3.6
163.03949	3.6
177.01834	6.0
187.03955	4.3
189.01837	10.8
191.03333	4.8
195.02887	4.8
203.03427	16.5
204.29227	3.7
205.65524	2.9
207.02834	5.5
215.03435	6.9
217.05034	7.0
219.02904	4.4
221.04341	4.4
227.03275	4.4
243.02983	5.5
255.02887	4.9
267.06738	2.8
279.06613	5.6
281.08167	3.0
283.06097	9.2
292.07431	4.1
293.08231	3.2
294.05234	15.1
295.06006	100.0
296.06665	11.8
297.07690	6.0
307.06006	54.5
307.09290	6.0
308.06732	18.2
309.07605	21.9
317.08197	3.5
319.06073	4.7
320.06885	5.8
321.07535	54.5
322.08319	8.7
323.05585	3.1
323.09116	6.3
325.07053	55.8
329.08130	7.4
333.07431	30.1
334.08167	5.7
335.09064	31.5
336.06207	6.7
337.07053	43.1
339.08496	3.6
345.07489	20.5
347.09317	7.5
348.06088	4.1
348.85709	3.1
349.07037	78.3
349.11017	5.3
351.08603	26.1
355.08026	4.8
359.09125	6.3
361.06891	35.6
361.10760	3.6
363.08597	37.5
367.08121	7.8
373.06964	19.4
375.08838	16.6
379.08121	63.5
387.08554	9.6
389.10526	4.2
391.08099	64.3
393.09683	4.4
403.08148	22.0
405.09357	5.3
409.09167	68.6
415.07901	14.8
417.09488	9.1
421.09351	8.0
427.10281	93.9
429.09647	5.1
433.09241	14.0
439.10147	3.5
445.09985	6.5
448.72134	3.0
457.10223	10.0
463.10172	11.7
475.12048	13.5
481.11295	42.6
493.11212	12.0
499.12320	41.0
511.05151	5.2
511.12366	86.3
511.19852	4.1
512.12665	3.8
529.13379	73.3
530.13837	3.4
531.91315	3.3
547.14410	27.3
565.15619	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	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.3
69.34063	11.3
85.02913	4.4
119.04955	7.5
121.02878	32.4
145.02904	3.5
177.01868	3.5
179.03374	3.5
185.05948	2.8
187.03917	4.3
189.01804	7.3
191.03400	5.3
195.02908	6.6
201.01985	2.2
201.05553	3.1
203.03366	12.8
205.05006	2.8
207.02872	8.9
213.05453	2.9
215.03406	7.1
217.05000	5.3
219.02826	3.7
221.04401	4.7
229.04955	4.4
229.68550	2.6
231.02951	3.4
233.04408	5.4
243.03070	3.0
255.02917	3.8
267.06464	2.4
268.07178	3.6
279.06445	4.9
280.07236	3.4
281.08160	3.7
283.06097	8.6
285.03809	3.0
291.06396	2.8
293.07932	5.1
294.05280	13.5
295.06036	86.0
296.06595	4.6
297.07523	7.6
307.06000	52.7
308.06796	15.7
309.07468	18.9
313.06873	4.0
317.08041	5.9
319.05923	5.3
320.06842	5.3
321.07562	48.6
322.08331	13.2
323.05679	3.1
323.09131	6.4
325.07065	78.1
333.07562	26.4
334.08298	3.1
335.05566	2.8
335.09143	20.0
336.06158	4.8
337.07047	50.0
337.10596	2.1
339.08661	3.1
339.93661	2.6
345.07553	8.2
347.09079	15.1
349.07077	69.6
351.08649	28.1
355.08047	6.9
357.07547	2.8
359.09241	3.7
361.07077	27.0
361.10922	3.6
363.08658	12.8
365.10175	7.4
367.08038	10.1
373.06918	8.1
375.08627	16.6
377.10175	3.9
379.08118	100.0
380.08884	3.4
385.07217	3.7
387.08597	8.4
389.10162	8.9
391.08124	39.1
393.09299	2.5
397.09137	45.1
401.10110	2.8
403.08200	29.1
405.09607	15.1
409.09189	39.3
415.10220	17.8
417.09546	3.7
419.11124	6.0
421.09094	12.7
427.10294	30.2
429.09515	7.7
433.09247	32.3
439.10306	14.7
445.10956	19.6
451.10254	32.3
457.11313	30.0
469.11340	59.7
475.10379	7.5
481.11298	31.0
493.11267	23.0
494.11676	2.6
499.12350	41.1
511.12439	35.4
529.13458	33.8
547.14496	30.1
565.15082	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.30275	1.5
57.03444	2.5
61.02924	2.3
63.96579	1.9
70.06612	2.8
76.59776	1.7
81.03416	2.4
83.90697	1.7
85.02906	5.3
93.03438	1.7
95.04945	1.8
98.22667	2.7
103.03953	2.7
106.66330	1.7
119.04945	8.0
121.02867	44.9
127.03989	1.9
131.04944	2.6
140.84767	1.7
145.02824	5.5
159.04433	2.5
163.03918	3.2
165.01779	1.7
175.03944	3.1
177.01875	2.3
179.03456	2.7
187.03929	2.0
189.01842	8.0
191.03369	4.6
195.02795	4.0
201.01965	1.9
201.05515	2.5
203.03412	21.2
205.05006	2.7
207.02876	9.7
213.05449	2.3
215.03409	6.9
217.05006	9.9
219.02872	4.9
221.04407	7.4
227.03439	3.7
231.02844	3.6
233.04443	2.4
243.02933	4.3
245.04382	2.5
255.02907	2.0
267.06567	2.2
268.07419	3.0
273.03946	3.9
273.09119	2.0
279.06537	2.4
280.07437	2.4
281.08099	3.9
283.05881	10.1
291.06616	3.7
292.07364	3.3
293.08084	5.4
294.05164	17.1
295.06027	75.5
295.09131	2.6
296.06662	9.2
297.07544	6.7
305.08112	4.6
306.08896	2.8
307.06042	45.7
307.09521	2.5
308.06778	15.6
309.07541	19.5
313.07025	6.5
317.08093	4.9
319.06046	7.2
320.06793	7.5
321.07568	50.8
322.08191	6.4
323.05441	3.4
323.09109	5.5
325.07065	51.3
326.07422	2.6
329.08139	4.2
333.07559	24.9
334.08350	7.1
335.05505	2.4
335.09119	23.3
336.06207	4.5
337.07040	41.6
338.07556	3.5
339.08624	4.6
345.07498	17.6
346.08701	2.3
347.05338	2.0
347.09247	7.5
349.07074	57.7
350.07761	3.1
351.08636	22.5
355.08200	6.2
359.09119	6.2
361.07077	29.2
361.11057	2.5
363.08575	26.1
367.08176	12.6
371.08926	3.3
373.06885	15.3
375.08691	14.6
379.03400	3.8
379.08118	57.9
385.08984	2.4
387.08731	11.0
389.10446	2.9
391.08121	51.3
393.09634	3.3
397.09583	2.5
399.08472	3.3
401.10367	3.1
403.08029	11.6
405.09753	4.3
409.09195	71.0
410.09750	1.9
415.08002	14.3
417.09738	3.2
417.15274	2.1
421.09235	8.1
427.10284	93.9
428.10660	3.2
429.09732	3.1
433.09277	21.1
439.10220	4.7
445.09723	10.1
447.11206	2.7
451.09760	2.2
457.11276	11.9
463.10266	7.9
469.11252	1.9
475.11798	13.4
481.04504	2.3
481.11359	43.1
482.11267	2.1
493.11121	13.7
499.12170	28.2
511.12369	100.0
512.12488	3.6
529.13403	47.0
547.14429	21.7
565.14789	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	566.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
54.86816	0.5
55.01852	0.8
57.03422	0.7
61.02929	1.0
65.03545	0.4
65.03925	1.0
69.03426	2.5
69.56055	1.7
70.06596	3.5
72.08148	1.2
75.38348	0.4
81.03416	0.9
84.04446	0.6
84.08115	2.2
84.89642	0.5
85.02414	0.5
85.02903	8.2
86.09677	2.1
86.43755	0.5
91.04932	0.7
91.05481	10.8
93.07021	1.0
95.04953	1.0
97.02862	2.2
103.03876	0.6
109.02899	1.1
109.51523	0.5
110.07117	1.3
118.04141	0.8
119.04942	23.2
121.02866	1.1
121.06474	0.8
127.03918	1.7
129.10225	1.3
132.02031	1.0
133.02882	0.5
136.07562	1.2
145.02879	0.6
145.04938	2.4
147.04410	20.0
149.02351	0.9
157.03928	2.7
163.06004	1.0
164.04680	1.5
174.03108	0.5
175.03909	39.3
176.04306	0.6
179.07016	2.2
180.08682	0.8
192.04175	11.1
207.06522	100.0
208.06857	2.0
225.07578	64.3
226.07957	1.0
295.05887	0.9
296.06436	1.5
300.64392	0.5
308.06461	1.2
309.07098	0.5
321.07629	0.5
322.07947	0.6
326.07510	1.4
331.24258	0.5
337.06943	0.6
338.07413	1.3
350.07431	1.1
364.08835	0.5
379.07977	0.6
380.08420	1.6
410.09586	1.0
428.10513	1.1
452.10434	0.7
458.11066	0.7
470.11862	1.2
494.11826	0.7
500.13147	0.9
512.12402	1.4
530.13971	1.0
565.82233	0.7
566.28754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46635	1.3
53.03939	3.6
55.01875	2.9
55.05516	3.3
57.03428	3.9
61.02936	3.3
66.76390	1.4
67.05491	2.3
69.03434	13.1
69.07037	2.2
69.51977	5.1
70.06581	3.6
71.04977	5.5
73.02930	2.0
74.14386	1.3
77.37785	1.3
79.05479	2.9
81.03406	15.6
81.07046	5.6
83.04950	2.9
84.08185	1.6
85.02905	82.3
85.18555	1.5
86.09709	5.3
91.05472	5.2
93.07039	7.1
95.04998	1.6
95.08599	3.8
97.02889	20.0
99.04458	44.3
103.03943	99.6
105.07021	27.3
107.04958	1.6
107.08580	6.3
109.02873	19.9
109.10158	1.9
111.04411	1.4
112.07581	1.9
113.32261	1.4
119.04931	2.8
119.08591	15.6
120.08078	1.8
121.02870	7.0
121.10134	5.1
122.03152	1.4
123.08083	4.1
124.52669	1.6
127.03910	100.0
133.10139	18.1
135.08014	1.7
135.11703	3.4
137.06017	2.0
143.08615	1.8
145.04951	67.7
145.10124	3.2
147.11664	1.9
149.09575	3.0
151.07574	3.0
151.08929	1.3
161.09593	10.8
161.13252	29.0
163.06018	72.6
163.11174	29.6
177.52679	1.4
179.10651	20.1
179.14304	8.5
187.06030	5.5
189.09113	6.3
189.12711	6.5
195.13786	2.1
204.03777	2.4
205.07088	5.1
207.10185	9.7
207.13805	19.2
225.11256	9.6
225.14850	18.1
243.15929	2.5
253.07129	1.7
271.08118	9.8
287.93875	1.5
289.09076	10.8
291.25522	1.4
295.05942	11.9
296.06415	14.6
307.06396	3.3
307.10162	23.1
308.06454	8.4
309.07321	2.8
310.07944	4.0
321.07452	4.3
322.07953	8.6
323.08746	3.1
325.07108	5.3
326.07404	12.4
333.07541	2.5
334.07846	6.0
336.09525	4.2
337.07013	2.9
338.07187	7.0
346.07773	1.8
348.09485	1.7
349.07080	3.9
350.07483	11.0
352.08853	2.4
361.07126	1.5
362.07394	6.6
364.09015	2.8
369.15472	2.1
376.08939	2.6
379.08133	5.1
380.08423	17.2
392.08334	6.0
398.09351	7.5
404.08356	3.5
409.09290	1.6
410.09482	6.3
416.10388	2.1
422.09210	2.1
428.10687	8.7
434.09613	3.4
440.10425	2.1
446.11130	2.5
452.10474	2.7
458.11273	3.3
470.11682	6.0
476.11630	2.2
482.11493	7.9
494.11768	7.8
500.12506	9.1
512.12555	16.0
513.23358	3.1
530.13757	13.6
548.14655	5.4
566.15253	2.7
566.29565	3.0
567.20514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05023	0.6
58.06350	0.3
58.06626	0.7
59.07383	0.2
60.08166	6.4
67.05486	0.3
69.07072	0.4
69.78994	0.5
70.06590	0.8
71.07372	3.0
79.05499	0.2
81.07056	0.8
85.02912	0.2
86.09708	31.7
91.05483	0.2
93.07049	0.3
95.08636	0.3
98.98466	3.4
104.10748	3.4
105.07005	0.3
107.08611	0.3
109.06550	0.3
109.10136	0.3
110.99107	0.2
111.04543	0.2
121.06473	0.2
121.10155	0.2
125.00005	21.5
133.10181	0.2
137.05972	1.4
184.07341	100.0
185.07701	0.6
203.17931	0.2
258.11066	0.3
269.17474	0.2
296.06503	0.4
308.06378	0.3
310.08221	0.3
322.08176	0.5
326.07361	0.5
334.07977	0.2
338.07474	0.2
350.07513	0.4
351.25342	0.2
369.26379	0.5
380.08646	0.5
392.08658	0.3
398.09598	0.3
408.85489	0.2
410.09579	0.3
420.94269	0.2
428.10898	0.3
458.12329	0.3
459.91318	0.2
470.11594	0.4
482.11636	0.2
500.12531	0.3
512.12848	0.5
530.13208	0.3
534.28186	0.4
548.29492	1.0
566.30945	11.2
567.27582	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.6
57.03421	6.5
65.03962	6.8
67.05509	51.7
69.07063	8.4
69.13235	31.7
71.04993	9.8
79.05489	29.4
81.07069	58.8
88.28256	7.3
88.35457	7.8
91.05473	18.7
93.07036	36.3
95.08617	57.5
97.06483	9.0
98.23459	12.4
105.07021	20.7
109.10157	14.3
119.08597	16.9
121.10165	13.5
133.10121	8.3
135.11748	7.9
161.13277	17.4
175.28320	6.8
179.14322	11.5
253.18071	13.4
261.22205	7.8
271.15448	11.3
271.18994	27.7
335.25800	100.0
457.35974	8.5
531.40289	19.6
535.96173	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23342	0.7
54.35001	0.7
61.02918	0.9
62.93952	0.7
69.03423	1.1
70.06570	1.1
70.86695	1.3
78.04728	0.8
79.05477	2.6
81.03423	0.7
85.02906	4.7
85.84557	0.8
91.05474	4.5
91.70586	0.8
95.04980	1.2
97.02882	1.5
98.23322	0.9
103.05445	1.8
105.07020	2.9
106.04185	1.0
107.04932	4.9
115.05463	1.3
117.07093	1.8
119.04942	1.8
119.08574	1.7
121.06516	1.5
123.04408	3.1
124.05173	1.2
128.06206	1.0
129.07037	4.0
131.04913	2.1
132.05675	0.7
133.06493	2.8
136.05194	1.3
136.45030	0.7
137.05977	1.6
140.04733	0.9
145.04955	1.0
145.06491	2.0
147.04439	0.8
147.08051	2.1
151.03941	0.8
151.07532	3.1
152.04646	1.8
155.07010	0.9
159.08066	2.5
160.05246	1.2
161.05980	6.7
167.07034	100.0
168.07341	0.8
168.10909	0.8
175.07524	18.3
177.05507	1.2
179.07034	10.9
179.08464	1.3
180.08727	1.6
180.86772	0.7
187.07545	8.7
190.07736	0.8
191.07016	9.2
193.08527	3.5
199.07655	3.6
205.06854	0.9
205.08549	4.3
206.07298	0.9
209.08167	1.5
217.08618	2.4
219.08003	0.9
221.09622	1.6
223.09636	0.9
231.08104	0.9
233.09648	1.2
234.06717	1.2
235.07489	0.9
249.09106	2.2
251.07005	1.4
261.09125	1.4
267.10153	0.9
277.08560	1.5
281.11743	3.9
289.08688	1.5
291.10117	0.9
293.11942	0.9
294.08823	1.1
309.11093	4.2
310.11981	0.9
321.11270	2.0
326.11420	2.4
339.12015	2.0
341.13824	18.1
353.13757	6.0
359.14914	8.9
371.10614	1.1
371.14905	12.7
389.15945	2.8
443.61636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
59.27909	1.9
65.38397	2.0
69.03429	5.5
69.40367	10.4
71.20615	2.0
79.05495	4.9
81.03442	3.7
85.02914	11.2
91.05482	5.4
94.33790	2.1
95.99117	2.1
97.02917	5.6
98.23554	2.0
100.26707	2.0
103.05463	2.8
104.48369	1.9
105.07027	15.5
107.04947	7.9
115.05457	5.4
117.07042	3.2
119.08591	7.3
120.86654	1.6
123.04482	5.7
124.05212	2.5
127.03836	2.4
128.06239	4.1
129.07021	8.1
129.70950	1.8
131.04945	2.6
132.05698	6.7
133.06473	13.3
137.05991	4.7
138.05507	3.5
147.08015	6.0
160.05200	5.6
161.05981	18.3
163.07515	2.4
167.07045	79.1
169.06474	3.5
172.05173	2.1
175.07549	100.0
176.07861	2.5
187.07571	13.9
191.07036	7.2
193.08601	57.4
199.07553	4.2
201.09009	3.2
205.08585	3.4
217.08600	2.6
233.09627	2.1
249.09059	3.8
250.26543	2.1
261.09146	3.5
270.16943	2.2
277.08578	3.3
281.11774	4.8
309.11343	2.0
321.11142	5.7
326.11478	2.5
341.13901	28.0
343.15182	2.0
353.13956	17.1
355.15326	8.8
371.14838	5.0
406.25903	2.3
414.56668	2.2
485.93524	2.3
567.36334	5.0
568.36932	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	568.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06105	0.4
53.03949	0.7
55.05508	2.1
57.03431	0.9
57.07071	1.2
58.04861	0.4
61.02919	1.7
66.99521	0.4
67.05507	2.7
69.03434	5.3
69.07072	3.2
69.43472	1.2
69.43876	1.5
70.06268	0.5
70.06601	3.0
71.04967	1.0
72.08149	2.0
72.29153	0.5
73.02900	0.6
79.05492	3.5
81.03410	1.1
81.07056	7.3
82.28390	0.5
83.04995	0.8
83.08620	0.5
84.08147	1.3
85.02904	9.7
86.09704	2.5
91.05477	7.8
93.07050	8.2
95.04981	1.2
95.08615	5.8
97.02899	3.1
97.06548	1.0
99.04453	0.7
105.07038	14.2
107.08595	12.5
109.02872	1.0
109.06540	1.0
109.10171	3.4
110.07178	1.9
115.05415	0.9
116.06218	0.7
116.07121	0.6
117.07019	3.9
119.08584	19.6
120.08075	0.6
121.10154	5.7
123.08035	0.7
123.11723	2.1
127.03931	2.1
129.07001	2.0
130.07841	1.0
131.08571	39.9
132.08911	0.7
133.10121	14.4
135.08035	4.3
135.11681	1.8
136.07574	2.5
137.59875	0.5
137.60941	0.5
143.08578	3.5
143.11804	0.8
144.09363	1.3
145.04951	2.5
145.10135	11.8
147.11726	5.3
147.61334	0.6
149.09579	1.0
149.13249	1.6
155.37108	0.5
158.10919	6.4
161.13301	4.7
163.14821	3.7
171.11661	1.1
173.13264	100.0
174.13606	2.2
175.14822	41.7
176.15141	0.7
179.14293	0.9
187.10738	0.5
191.14313	45.5
192.52820	0.5
193.15877	1.8
209.15332	1.6
273.11307	0.9
275.14951	0.7
353.19574	1.1
457.47443	0.6
568.19904	17.5
568.27173	1.0
569.21136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01871	1.3
55.05514	3.3
56.05041	1.9
57.03433	2.1
58.06630	0.5
61.02917	2.9
65.03934	0.7
67.05500	6.2
68.05032	1.1
69.03435	7.1
69.07068	3.7
70.06590	5.2
71.05006	1.4
71.75893	0.5
72.08160	2.3
73.02924	1.9
79.05495	3.6
80.05019	1.5
81.03417	3.5
81.05853	0.5
81.07063	3.1
82.06583	1.9
83.05022	0.9
83.08647	0.7
84.04515	0.6
84.08157	2.2
85.02905	12.3
85.06547	0.6
86.06071	1.1
86.09719	1.3
87.04459	2.5
91.03972	0.8
91.05490	2.2
93.05787	1.1
93.07046	3.6
94.06575	3.7
95.04974	3.0
95.08614	2.0
96.08134	19.6
97.02890	5.3
98.09686	1.0
99.04465	2.6
101.02370	0.7
103.03946	5.8
105.07050	1.9
106.06551	1.2
107.04967	2.5
107.07337	2.8
107.08592	2.0
107.64663	0.5
108.08167	1.9
109.02891	2.2
109.10174	1.3
110.07206	0.8
110.09698	1.1
111.04477	0.9
112.07614	4.0
114.09212	1.8
119.04933	0.7
119.08573	1.7
120.08110	3.7
121.06509	1.1
121.08898	0.7
121.10126	3.2
122.09718	0.9
123.04426	13.4
123.08059	0.7
125.08401	3.9
125.09683	0.6
127.03913	6.1
131.08586	0.5
133.10089	0.9
135.11710	1.4
137.05981	1.1
138.09158	2.0
139.15886	0.6
145.04976	3.2
145.10138	1.7
147.04413	0.9
147.11743	0.8
149.06006	1.1
149.09613	0.8
151.11304	0.8
152.14349	1.6
156.10211	18.0
160.07602	0.5
161.06000	0.7
161.09628	0.7
163.03781	0.5
163.06076	2.2
163.07436	0.6
163.11163	4.7
167.07068	1.2
175.07542	0.6
177.05412	0.8
181.12305	1.6
185.10497	0.7
187.07564	0.9
191.10698	1.9
191.14357	1.1
198.11325	2.0
204.17502	1.5
209.11765	2.4
209.15399	7.2
211.02272	0.7
221.15324	0.5
222.18591	1.3
227.12775	4.5
227.16396	1.2
240.19594	1.0
282.20676	1.3
290.21240	2.3
296.06534	0.9
302.21194	2.6
309.06781	0.7
314.21332	1.1
316.22836	1.5
318.24289	1.2
322.08026	0.7
326.20963	0.8
328.22681	15.4
328.26398	0.9
335.08765	0.6
341.13910	1.7
345.88199	0.6
346.23746	16.7
364.24808	13.0
371.11108	0.6
388.24759	3.1
406.25845	52.7
407.26349	1.1
434.97421	0.5
448.27338	0.7
472.33456	0.6
496.12250	0.5
508.28964	1.0
514.13684	1.0
526.30304	0.5
532.14453	0.9
550.30145	1.2
568.31183	100.0
569.21533	2.5
569.31525	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	568.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.2
55.01834	0.6
55.05469	2.1
56.05005	0.8
57.03395	1.9
58.06555	1.3
61.02925	2.8
65.03889	0.4
67.05457	1.6
69.03428	6.5
69.07027	0.8
69.90508	0.4
69.90867	1.3
70.06595	22.5
70.06953	0.8
71.04951	1.0
72.08115	0.7
73.02915	2.8
77.48939	0.5
79.05501	3.3
81.03419	2.7
81.07061	4.0
82.06544	1.7
83.04947	1.0
83.08566	0.8
84.04500	0.4
84.08083	1.9
84.08516	0.5
84.48963	0.4
85.02908	11.4
86.09642	0.6
87.04416	1.5
91.03913	0.5
91.05451	1.4
93.07054	4.9
95.04973	2.6
95.08548	1.4
96.08135	3.7
97.02352	0.5
97.02886	5.2
97.06516	0.6
97.08900	2.2
98.09645	0.9
98.23349	0.6
99.04435	2.1
103.03922	2.6
105.04458	0.5
105.06983	1.3
107.04853	0.6
107.08574	1.0
109.02827	2.0
109.10142	0.7
110.09679	5.0
119.08539	0.9
120.08038	1.5
121.02827	0.5
121.06461	1.4
121.10141	3.3
123.03548	0.6
123.04428	12.6
123.11680	0.6
124.11152	1.1
127.03920	3.6
133.06490	0.7
133.10117	0.9
135.04317	0.5
137.05936	0.7
138.12737	1.8
145.04909	1.6
147.04335	1.9
147.11649	0.6
149.04889	0.7
149.05984	11.0
151.11154	1.4
152.14262	1.6
153.09052	1.3
163.06026	0.9
163.07462	1.1
165.09038	1.5
167.14244	2.0
173.13226	1.2
175.07489	1.9
185.27008	0.5
191.14273	0.9
193.08606	0.9
208.16982	1.5
209.15379	9.7
222.18454	2.8
227.16379	1.4
244.12885	0.6
296.06512	0.5
328.22717	3.7
344.21918	0.7
346.23761	86.3
347.24258	1.9
364.24808	0.5
388.24744	1.7
406.25861	22.9
430.11203	0.7
502.12836	0.6
508.29083	10.7
514.13220	1.6
532.14246	0.7
550.15228	0.5
568.31171	100.0
569.21698	1.2
569.31549	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01849	0.3
55.05478	0.9
56.04995	0.9
56.05243	0.3
57.03400	1.0
57.03651	0.2
57.05797	0.3
58.06601	2.0
61.02933	1.4
67.05504	1.8
69.03431	3.6
69.07024	0.7
70.06591	3.5
71.04948	0.4
71.07368	1.2
72.08147	1.4
73.02876	1.0
79.05453	0.3
81.03376	1.1
81.07059	1.8
82.06528	0.8
83.08585	0.5
84.08142	8.3
84.08904	0.3
85.02901	4.5
85.08907	0.3
86.09660	0.7
87.04467	1.2
88.07593	0.7
93.07005	0.4
95.04967	0.4
95.07291	0.3
95.08595	1.7
96.08130	5.3
97.02891	2.2
97.08866	0.8
97.10127	0.4
98.09675	1.7
99.04382	0.4
101.02339	0.3
103.01264	0.2
108.08096	0.3
109.02847	0.5
109.06473	0.2
109.10114	0.6
110.09680	16.3
111.10463	6.2
112.10497	0.3
112.11243	6.4
121.06471	0.4
123.04427	12.1
124.11230	5.3
125.12016	0.5
137.05952	0.3
138.12769	1.7
145.04907	0.3
147.04401	0.2
149.05917	0.5
152.14355	1.4
163.07524	0.5
166.15872	1.1
170.11755	3.2
180.17458	0.6
194.18985	0.9
208.20610	1.6
209.21103	0.3
222.22163	17.2
236.60480	0.3
278.21161	4.9
282.24515	0.4
292.54703	0.2
318.24268	3.4
328.75110	0.2
344.25854	0.3
345.26721	1.6
346.27399	32.6
347.27731	1.0
364.28476	0.8
388.28506	0.4
406.24506	0.5
406.29523	7.9
480.29642	0.6
508.32703	29.0
509.33112	1.1
526.33759	0.6
568.34772	100.0
569.35046	3.6
569.43048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41743	1.3
55.01873	2.7
56.05030	5.8
61.01139	4.7
66.70630	1.4
69.41755	3.9
69.42158	3.1
72.08142	2.8
74.06066	2.1
79.05467	2.2
83.75782	1.4
84.04507	1.7
84.08141	6.7
86.09698	4.2
91.05437	1.4
95.04973	2.3
101.07104	1.7
104.05314	12.7
107.04952	100.0
108.05270	1.5
120.08112	5.8
121.02844	1.6
121.69436	1.4
129.10236	5.6
139.08615	1.4
149.07448	4.8
173.06021	2.2
181.05013	2.2
187.03796	1.7
189.05545	2.0
193.04971	2.6
205.05008	3.5
217.05000	4.2
218.11609	1.3
219.06444	1.8
229.04970	1.9
231.06461	2.8
233.04498	1.4
235.05994	2.1
243.06377	1.6
247.05986	6.4
253.05147	1.8
259.06122	4.1
260.10614	5.0
271.06006	6.1
273.07571	2.0
277.07159	2.5
285.07596	2.3
287.09155	2.5
289.06982	3.6
289.56241	1.6
299.09167	1.8
301.07028	4.4
313.07104	5.0
315.90741	1.4
325.07016	3.0
326.69736	1.4
353.10300	5.3
365.10165	3.0
371.11606	1.6
377.10184	3.4
383.11182	6.5
395.11063	4.6
401.12418	11.3
407.11417	6.7
413.12170	5.9
419.11261	6.1
431.13330	6.7
437.12155	8.4
443.12335	1.5
449.12283	7.6
455.13547	6.3
461.13107	3.4
467.13351	7.9
479.13477	1.5
485.14343	2.6
497.14526	2.4
515.15509	4.9
569.34711	2.8
573.32599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
69.03427	1.2
70.06590	5.5
70.71397	0.6
70.71730	0.5
71.08018	0.4
72.08151	1.5
74.39340	0.3
81.03436	0.6
81.07059	0.6
81.66461	0.4
84.04511	0.4
84.08145	1.5
85.02901	1.5
86.09702	2.9
86.64054	0.5
103.03944	0.5
105.07037	0.6
107.04981	0.4
109.02912	0.5
110.07169	1.2
117.71710	0.4
120.08115	1.0
123.04435	0.6
127.03895	1.0
129.10275	1.3
129.99974	0.4
136.07651	0.5
145.05026	0.7
147.04408	0.5
149.05959	0.6
172.76404	0.4
196.26517	0.4
209.15343	0.7
263.12564	0.7
297.06604	0.8
311.07141	0.4
327.07745	0.4
329.08231	0.5
346.23761	1.2
347.24316	2.4
351.91940	0.5
356.12009	0.4
382.08817	0.4
406.25912	0.8
407.26178	0.6
425.17758	3.9
449.17444	0.7
455.11588	0.4
473.11984	0.5
503.13458	0.4
507.22009	15.3
508.22485	1.0
509.20132	4.1
551.21484	0.9
568.31201	1.1
569.22040	100.0
569.30713	5.6
570.22388	3.2
570.31982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17745	0.4
56.96560	1.4
59.17531	0.5
59.65818	0.5
69.51624	2.1
71.79293	0.5
88.38088	0.5
98.97599	1.4
112.99108	1.1
116.88162	0.4
131.00189	2.1
143.00139	0.7
149.01173	0.9
154.16426	0.5
158.99667	0.6
275.04352	0.6
293.05569	1.6
311.06497	0.7
315.16370	0.9
324.54147	0.5
333.17294	2.5
351.18652	0.9
393.19800	0.6
441.41107	0.6
467.03574	0.6
523.25140	1.9
569.27209	100.0
570.27759	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	569.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.5
58.00277	0.5
58.18143	0.5
69.27988	3.0
74.62518	0.4
75.08080	0.4
98.97574	1.1
110.97663	0.6
112.99128	1.2
128.98540	0.5
131.00172	1.3
149.01227	1.2
158.99733	0.6
163.59564	0.5
170.85458	0.5
275.04306	0.7
293.05408	1.4
315.16220	1.2
333.17215	2.7
351.18329	0.9
569.27197	100.0
570.27533	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	569.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58495	2.3
69.95582	2.8
69.95934	7.2
79.29010	2.3
89.52074	2.3
97.55611	2.7
143.93799	2.4
174.03709	2.8
333.17307	3.5
410.33331	2.5
569.27020	100.0
570.27332	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	569.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.3
64.82732	0.8
66.18011	0.7
102.29159	0.9
104.99297	0.9
131.00186	1.1
293.05295	1.1
333.17432	2.7
351.18201	1.1
371.78320	1.0
569.27216	100.0
570.27618	3.1
579.82355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27111	0.2
53.72404	0.2
57.61377	0.2
72.59883	0.2
84.01859	0.4
95.01078	0.3
126.36717	0.2
127.93385	0.2
185.04247	0.6
201.03777	0.6
203.05325	0.7
226.99834	0.2
259.07910	1.2
305.29962	0.2
331.10007	0.9
343.35254	0.2
373.14325	0.3
387.16476	0.3
407.24121	1.9
431.18768	0.3
457.20459	1.9
471.21915	1.4
483.21759	0.4
487.21396	0.8
569.29303	100.0
570.29480	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74680	0.2
68.93584	0.3
70.69359	0.3
78.79799	0.3
89.84293	0.2
95.26567	0.2
148.87198	0.3
185.04230	0.6
259.07953	0.8
321.16797	1.1
331.10120	0.4
407.24100	1.9
457.20413	0.6
471.22046	0.7
473.07764	0.3
477.48117	0.3
481.24103	0.6
483.22037	6.4
483.28836	0.5
569.29321	100.0
570.29730	3.7
577.85986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25892	0.3
69.58561	1.5
84.01896	0.5
95.01097	0.4
106.96675	0.3
184.03409	0.4
185.04248	1.0
201.03638	0.6
203.05266	0.9
232.12790	0.3
259.07977	1.7
273.42868	0.3
301.46075	0.3
331.10010	1.7
345.11563	0.4
353.96170	0.3
373.14999	0.5
407.23834	1.9
427.19476	0.4
441.20892	2.9
443.22672	0.7
499.21521	1.1
569.29303	100.0
570.29578	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	569.2933
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
54.60357	0.3
57.05427	0.3
63.49817	0.3
69.15970	0.7
69.16383	1.2
84.98747	0.3
95.33134	0.3
104.20038	0.3
117.57480	0.3
127.52946	0.3
163.86035	0.3
185.04181	1.5
201.03754	0.8
230.20218	0.4
259.07935	0.6
275.07495	0.7
277.22534	0.3
331.09985	2.7
340.83630	0.3
345.11633	0.4
373.14908	0.4
387.16522	0.8
407.24011	2.9
438.10297	0.3
441.20932	3.1
443.22839	0.8
499.21487	1.4
569.29333	100.0
570.29645	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	569.2933
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.81095	0.3
56.32094	0.3
56.82150	0.3
61.65957	0.3
62.02433	0.3
65.50231	0.3
67.61887	0.3
69.22065	1.6
70.53694	0.3
79.64606	0.3
131.87711	0.3
173.13062	0.3
183.16830	0.3
185.04198	0.4
203.05331	0.8
239.23557	0.3
259.07971	1.4
309.97574	0.4
321.16672	0.6
333.20239	0.5
355.46375	0.3
365.10513	0.3
407.24252	1.7
471.21777	0.5
481.24136	0.4
483.22046	6.2
569.29333	100.0
570.29767	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	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
62.00175	0.5
69.03436	1.0
69.62323	0.5
70.06573	1.0
72.08124	1.6
79.05476	0.8
81.03404	0.8
84.83908	0.5
85.02905	1.3
90.39124	0.5
91.05448	0.8
94.50777	0.5
95.04981	0.6
96.08131	1.4
115.05457	0.8
123.04381	1.5
128.06206	0.9
128.10716	1.0
129.06984	5.5
131.04904	0.9
131.08554	5.8
134.76106	0.6
137.05914	1.3
137.48247	0.6
141.06079	0.7
141.06963	3.7
145.06516	0.9
147.35992	0.6
157.06496	5.0
158.07266	2.2
159.08014	5.2
161.09587	0.7
163.07567	0.7
167.06967	0.6
169.06482	2.2
170.07277	0.9
173.05913	0.8
174.06752	10.7
175.07538	2.6
186.06712	2.7
189.09103	21.6
191.10638	1.6
201.09091	8.5
219.10152	100.0
220.10475	2.3
237.11263	1.6
256.86584	0.5
330.24197	2.4
348.25397	1.2
352.83182	0.7
390.26370	1.4
408.27264	1.8
425.72052	0.6
552.31586	3.1
553.12976	1.2
570.32324	8.2
571.14337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.9
56.05030	3.6
57.03431	6.6
60.08392	1.4
61.02940	3.4
67.05497	2.4
68.52535	1.3
69.03425	10.0
69.07072	3.2
69.47105	1.4
70.06601	3.2
71.04997	3.2
71.46394	2.2
72.04517	3.6
72.08156	12.7
79.05503	7.5
81.03423	4.8
81.07062	6.9
85.02900	15.4
85.08939	1.5
86.09713	1.8
87.04465	3.1
91.05507	2.0
93.07047	3.0
95.08627	3.0
97.02889	5.8
97.06499	7.6
98.09689	50.6
98.10329	3.5
99.08067	10.8
103.05446	1.7
105.07087	1.8
107.30832	1.7
109.02866	3.0
121.06506	2.8
123.04431	25.4
127.03933	4.5
133.06450	3.3
135.04422	2.7
137.06042	2.8
142.12265	45.4
146.11391	1.5
147.04439	8.7
149.05981	35.6
156.13847	3.0
161.06020	4.1
163.07591	5.4
165.09152	3.0
175.07578	5.7
193.08603	7.9
215.10706	2.4
217.12273	4.4
227.52887	1.7
233.11873	2.7
235.13338	2.6
277.17151	1.9
298.16974	1.7
390.26443	19.7
401.43161	1.9
408.27545	4.9
552.31665	81.0
553.32629	2.4
570.32690	100.0
571.33246	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	570.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01854	0.7
55.05507	2.2
56.05035	3.0
57.03438	2.3
60.04526	1.3
61.02931	2.7
65.03941	1.0
66.27477	0.5
67.05503	4.7
68.05025	1.1
69.03428	9.2
69.07073	1.4
70.06588	4.2
70.52971	0.8
71.04985	1.4
72.04528	0.7
72.08155	1.3
73.02927	2.2
79.05494	2.8
80.05019	0.9
81.03398	3.4
81.07053	2.8
82.06574	5.0
83.08619	0.5
84.08155	1.3
85.02903	11.6
86.06080	2.2
86.09698	1.4
87.04464	2.3
91.03947	0.5
91.05475	1.3
93.07038	2.7
94.06585	2.9
95.04971	1.8
95.07362	1.0
95.08617	3.4
96.08111	3.4
97.02887	5.1
98.09682	0.9
99.04442	1.1
100.07661	1.0
103.03931	1.2
105.07056	1.1
107.04929	0.8
107.08633	1.2
108.08123	1.3
109.02901	1.6
109.08881	0.6
109.10182	1.2
110.09695	0.6
112.07608	4.5
112.85796	0.5
114.09190	0.8
120.08124	0.6
121.06529	0.7
121.10095	0.8
123.04426	34.3
126.09179	1.5
127.03940	2.1
137.05980	2.0
139.03957	0.6
145.04996	0.8
147.04405	0.8
147.08110	0.5
149.05989	2.2
161.06064	0.7
163.07544	1.1
192.51579	0.5
224.20082	2.8
242.07790	0.4
264.19620	0.6
278.21268	1.3
304.22693	5.3
318.24347	1.1
328.22827	0.8
330.24261	23.3
331.24683	1.2
334.23773	0.7
334.33853	0.5
348.25314	52.4
349.25705	1.3
366.26276	0.9
372.25415	0.6
390.26413	4.1
408.27438	32.1
409.27838	0.9
492.29620	1.0
510.30704	8.2
528.31665	0.8
552.31958	1.1
570.32715	100.0
571.22766	1.5
571.33118	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	570.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05521	3.8
56.05026	1.0
57.03424	3.1
60.08174	0.7
61.02915	2.6
62.55418	0.8
67.04234	1.0
67.05492	2.7
68.05013	1.3
69.03430	9.4
69.07063	2.8
70.06593	12.1
71.04980	1.2
71.45205	0.9
72.08154	5.6
73.02911	2.4
79.05507	3.7
80.05000	1.6
81.03413	3.4
81.05804	1.0
81.07052	3.6
82.06583	14.1
84.08142	2.2
85.02901	12.3
86.09692	4.1
87.04453	1.8
88.73809	0.7
91.05470	2.1
93.07043	3.1
94.06570	9.2
95.04935	1.8
95.07343	1.5
95.08610	2.7
96.08125	15.8
97.02898	4.8
97.08913	1.1
98.09699	1.9
98.16982	0.7
99.04440	1.7
105.07023	2.0
107.04981	1.9
107.08600	1.2
108.08113	4.3
109.02878	0.9
109.10123	1.0
110.09675	10.6
114.09118	1.0
115.05462	1.0
120.08104	3.2
121.06503	0.8
121.10205	1.3
122.09703	1.7
123.04430	19.7
124.11199	0.9
125.09647	1.0
126.09168	2.2
127.03945	3.7
129.06999	3.7
131.08559	4.3
136.07582	0.8
137.05971	1.3
139.03925	1.1
141.06967	2.1
145.05017	1.0
147.04393	0.9
149.05959	1.6
156.10170	1.3
157.06516	3.0
158.07188	1.1
159.08003	3.8
163.07550	1.8
169.06454	2.1
170.11771	7.9
174.06778	6.4
175.07515	2.1
186.06754	1.4
189.09096	14.1
190.09337	0.9
191.10681	1.4
192.17590	0.8
201.09177	4.6
206.18983	5.9
212.90793	0.8
214.20175	0.8
219.10161	66.5
220.10460	1.4
224.20090	3.5
249.11185	1.2
294.20718	2.1
314.21176	0.9
316.97675	0.8
328.22751	6.1
330.24255	58.8
331.24765	2.2
342.23950	1.3
347.24414	1.1
348.25317	44.7
349.25632	1.8
372.24945	1.2
390.26389	9.0
405.25803	0.8
408.27432	25.5
409.15094	1.2
492.29578	1.5
510.30609	18.3
552.31659	11.7
570.23572	3.2
570.32635	100.0
571.22803	4.0
571.32861	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	570.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01872	1.3
55.05505	1.3
56.05035	1.3
57.03434	2.5
58.06610	0.7
61.02921	3.4
67.05503	4.4
69.03428	8.4
69.07068	2.6
69.92648	1.3
69.92997	1.4
70.06235	1.0
70.06596	10.8
71.05008	1.4
72.08154	2.9
73.02922	3.0
79.05502	2.2
81.03420	2.1
81.07052	7.1
82.06586	3.2
83.08633	1.4
84.08143	2.8
85.02901	14.6
86.06062	1.1
86.09709	3.9
87.04464	1.4
91.05492	2.8
93.07054	2.7
94.06578	2.1
95.04963	1.4
95.07334	0.9
95.08591	4.0
96.08123	5.1
97.02882	4.6
98.09669	0.9
98.23297	1.2
99.04453	1.2
100.11286	1.2
103.03982	1.3
105.07040	2.2
107.08616	2.7
108.08128	1.1
109.02897	2.1
109.08873	1.5
109.10162	1.1
110.09663	1.1
111.08064	1.1
112.07590	1.9
114.09184	1.3
119.08585	1.6
120.08114	2.9
121.10155	3.0
123.04430	20.5
123.11706	3.5
127.03917	4.8
129.10323	0.9
133.10123	0.8
135.11670	1.1
136.07553	0.9
137.06018	1.3
145.04991	2.1
147.04417	2.3
147.11682	8.4
149.05923	1.4
151.07594	0.7
161.06061	0.9
163.06052	1.5
163.07578	1.6
165.12743	5.1
180.20985	0.7
183.13771	1.5
183.15190	0.8
206.19106	2.3
224.20093	0.8
229.14319	18.9
229.38451	0.6
246.29709	0.9
264.19662	1.0
276.29453	0.6
278.21085	3.9
304.22812	1.2
328.22601	1.1
330.24261	44.5
331.24643	1.0
342.23965	2.2
346.24164	0.8
348.25320	19.9
349.25513	1.0
366.26392	1.4
371.86041	0.8
372.25180	0.9
390.26364	8.0
408.27435	31.0
433.22681	0.8
467.50473	0.7
492.29666	1.3
510.30582	2.6
552.31793	2.1
569.47552	1.1
570.32721	100.0
571.33289	2.5
581.16913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03986	0.9
55.01854	1.7
55.05518	1.9
55.61454	0.6
56.05037	1.1
57.03434	5.4
58.06620	0.7
60.08162	1.1
61.02932	2.8
62.60498	0.6
67.05510	3.5
68.98817	0.7
69.03434	7.9
69.07066	3.9
70.06587	6.4
71.04987	2.1
72.08157	10.9
73.02923	1.5
79.05511	3.5
81.03439	3.1
81.07046	7.1
83.05009	0.7
83.08650	1.1
84.08144	1.1
85.02902	14.0
85.08900	0.9
86.09711	8.0
87.04490	1.1
91.05486	2.3
93.07053	2.0
94.59467	0.7
95.04989	1.1
95.08626	4.2
97.02898	5.8
97.06535	4.8
98.09693	19.2
98.10309	1.2
99.04462	1.5
99.08107	3.1
101.02369	0.8
103.03983	1.2
103.05490	0.9
104.10727	3.7
105.07005	0.9
107.04960	0.8
107.08624	1.5
109.02909	2.3
109.06588	1.1
109.10171	1.5
113.09691	1.8
117.07021	1.5
120.08131	1.0
121.06504	0.8
122.03635	1.1
123.04424	1.2
123.11700	1.5
125.00009	2.2
127.03909	4.7
131.04950	1.5
137.05977	36.6
141.07079	0.9
142.12267	10.9
145.05006	1.2
145.06505	2.5
156.10225	1.1
159.08017	1.4
161.06023	1.2
163.06355	0.8
163.07504	3.9
175.07625	0.7
177.09137	8.9
184.07365	12.4
187.11192	0.8
189.09212	1.1
191.10657	0.9
197.30406	0.7
201.12721	0.9
243.17110	3.1
251.16269	0.9
291.06168	0.7
300.14325	1.8
327.23154	0.9
345.24316	1.3
390.26312	1.0
390.30191	8.7
398.21521	2.7
408.31168	32.2
409.31485	1.3
452.23621	0.8
534.31897	0.9
552.34259	2.4
570.29059	7.2
570.36469	100.0
571.22589	0.9
571.36920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.07075	59.7
57.52044	0.8
59.05017	1.0
60.92921	0.9
66.12452	0.8
66.54516	0.9
67.05499	2.6
69.07073	8.0
69.14400	2.4
69.14796	4.7
69.55391	0.8
71.08630	48.8
73.06551	7.3
79.05475	1.5
81.07066	1.4
83.08624	4.6
85.10181	33.8
87.04473	5.0
89.06030	100.0
97.10167	2.6
99.11725	6.4
107.07083	2.1
109.10196	1.1
111.11716	4.2
113.13279	6.1
115.74416	0.9
117.09142	6.5
125.13261	2.6
127.14829	3.1
130.08630	2.6
131.07016	1.8
133.08601	65.9
134.09645	2.0
160.11194	4.6
161.11728	1.5
174.42761	0.8
177.11209	28.1
178.12346	4.5
182.04816	0.8
183.21109	1.2
221.13808	7.5
227.23782	2.6
239.00447	1.0
239.14896	2.4
258.08878	3.1
265.16519	1.2
271.26401	5.3
283.17545	3.9
294.68671	0.9
315.28976	6.8
327.20178	3.1
353.21323	1.1
371.22781	13.9
509.40598	1.9
553.43030	21.5
554.43402	1.2
565.90845	1.4
570.36664	1.4
570.45355	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	571.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.6
56.96575	1.4
67.05509	0.8
69.03433	1.2
69.07082	0.8
70.06591	5.7
70.28461	0.5
72.08161	3.1
73.02949	0.5
79.05504	0.6
81.07054	1.1
82.06602	1.1
84.96049	1.2
85.02919	1.7
85.94736	0.4
86.09719	3.2
91.05498	0.5
93.07069	1.0
95.08610	0.5
96.08119	1.0
97.02950	0.5
98.09724	1.1
98.97579	3.6
100.83298	0.5
107.04990	0.7
110.09701	2.2
110.97603	1.4
116.98659	1.7
120.08122	1.0
123.04432	2.7
128.98683	1.1
135.08093	0.5
143.00186	0.7
149.06110	0.6
162.99060	0.5
170.11766	2.4
196.74060	0.5
213.08206	0.6
219.01758	3.5
237.02821	2.8
249.07875	0.5
265.11176	1.4
265.14050	1.0
283.12213	4.6
301.13428	1.6
311.11752	0.5
325.13275	2.1
330.24414	2.0
331.24710	1.5
343.14441	0.6
344.84625	0.6
347.09644	1.2
348.25421	1.4
349.25784	1.2
362.16797	1.2
390.26572	1.5
408.27530	2.0
409.15652	0.6
409.27902	1.1
427.16208	22.9
428.17145	0.5
445.17563	0.9
449.21399	0.7
469.17322	7.6
487.18518	1.1
509.23553	9.2
510.30771	0.7
511.19238	5.5
552.31812	1.1
553.10876	1.1
553.23071	1.0
553.31982	2.2
570.32489	4.1
571.22668	100.0
571.32941	5.6
572.23157	2.2
572.33044	0.6
582.05414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2369
Annotation	Midostaurin
Peak:m/z	Relative Intensity
56.05037	0.5
57.03434	0.7
61.02915	0.4
62.34095	0.2
67.05511	0.6
69.03435	1.6
69.07075	0.6
69.53142	0.2
69.53478	1.0
70.06596	5.1
72.08154	2.3
74.06113	0.3
76.01624	0.2
79.05504	0.9
81.03435	0.5
81.07072	0.4
82.07396	0.3
84.04517	0.6
84.08140	1.6
85.02908	2.3
86.03259	0.4
86.09700	2.2
88.44131	0.3
91.05528	0.3
95.05025	0.2
97.02901	1.0
97.06553	1.1
98.09698	4.8
99.04517	0.3
99.08120	0.9
99.10052	0.9
107.08582	0.3
110.07198	0.2
116.07082	0.3
119.08570	0.4
120.08127	0.5
121.06522	0.6
123.04426	2.4
124.04784	0.5
127.03961	0.4
129.10269	1.1
130.08548	0.2
133.06488	0.3
136.07571	0.4
137.05899	0.3
141.05212	0.3
142.12273	3.8
143.12535	1.2
145.04994	0.4
147.04428	0.5
149.05981	3.1
150.06340	1.1
155.08257	0.5
156.13853	0.4
161.06061	0.4
163.07553	0.5
165.09050	0.2
169.09756	0.3
175.07524	0.5
176.07918	0.4
181.09892	0.3
183.14911	0.3
185.04306	0.4
193.08701	0.7
197.13020	0.3
217.12337	0.3
236.14296	0.2
245.11482	0.6
265.14154	0.8
267.08517	0.4
283.13943	0.4
289.12802	0.3
315.11975	0.3
329.08569	0.7
345.17697	0.5
347.09741	0.4
390.26480	0.7
391.26877	1.0
409.18106	0.3
409.28094	0.2
425.17792	0.5
427.19470	3.4
451.19083	0.5
469.20389	0.7
491.22598	0.6
509.23587	12.9
510.23663	0.3
511.21500	4.4
552.31689	0.8
553.22638	2.0
553.32147	8.6
570.32776	0.6
571.23682	100.0
571.32831	8.9
572.24036	5.4
572.34204	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	5.6
70.06581	1.6
78.51128	0.8
79.05470	1.1
81.07032	1.3
81.58435	0.8
81.97791	0.9
84.08158	1.0
85.02895	2.1
86.09703	2.3
91.05492	1.5
95.08617	1.6
97.02891	1.7
99.04462	2.0
103.03934	1.8
115.11215	2.0
119.84321	1.2
125.56458	0.9
127.03901	3.2
137.68356	1.2
145.04973	1.8
163.06039	1.5
173.15337	2.0
204.13860	1.3
233.63632	1.0
244.13091	2.2
249.20659	3.2
307.10422	1.0
351.21423	100.0
352.21747	2.9
506.33719	1.1
572.27325	1.8
573.30066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82707	0.9
55.05492	2.0
57.07075	27.5
59.04993	1.0
65.60113	0.9
67.05506	4.2
68.92673	0.8
69.07063	3.0
69.17439	4.9
71.08630	24.5
72.37754	0.8
73.06551	6.2
73.56081	0.9
76.61147	1.0
79.68469	0.9
81.07062	2.8
83.08629	4.9
85.10178	25.4
87.04469	5.8
89.06030	100.0
91.05466	1.4
93.07034	1.4
95.08623	2.4
97.10153	2.3
99.11734	3.4
105.07021	1.5
107.07057	2.0
107.08601	1.5
109.10149	2.9
117.09136	6.9
121.10155	1.2
124.95319	0.9
130.08646	2.9
131.07077	2.3
133.08607	51.3
135.10233	1.6
137.09641	1.2
141.16400	5.4
161.11690	1.4
175.09727	1.9
177.11214	22.7
185.18993	5.7
195.12292	1.0
216.02707	1.0
218.29623	1.0
221.13849	4.5
226.21677	2.3
229.21587	11.9
234.06654	1.0
239.14978	1.3
273.24249	7.3
283.17532	1.5
309.19357	1.2
313.27591	1.5
340.02777	1.1
368.19437	1.0
371.22827	1.5
383.24387	1.5
415.25287	4.1
479.26752	1.1
555.40948	11.8
556.41431	1.4
572.43774	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	573.1943
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
52.63047	1.0
55.35111	1.0
58.06606	1.6
65.58392	1.1
70.06586	1.6
72.08161	3.8
82.25690	1.1
82.95328	1.2
87.32297	1.1
98.09707	1.7
98.97578	2.1
118.52981	1.1
137.05957	1.8
156.13737	1.4
182.81044	1.2
183.87653	1.1
274.97507	3.6
292.98499	1.4
305.91568	1.2
377.10342	1.2
395.10947	1.7
411.14221	6.2
554.33057	5.8
555.33533	3.2
573.19263	100.0
574.19611	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	575.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23849	0.6
63.01706	0.6
65.48022	0.7
68.73543	0.7
70.06600	1.0
85.67760	0.7
132.08641	0.6
234.52885	0.7
405.53439	0.8
575.20966	100.0
576.21338	4.9
576.29932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46938	2.2
56.96548	2.6
57.07077	4.1
67.05507	7.2
69.07063	4.4
71.08611	3.7
81.07040	6.0
83.08620	3.3
90.57595	2.8
93.07032	3.3
94.06571	3.1
95.00021	2.9
95.08588	5.5
97.10184	5.7
104.10762	2.6
105.07049	2.6
105.92010	2.6
117.79772	2.4
121.10155	3.0
134.74486	2.4
136.93127	10.7
154.94159	25.6
172.95183	24.9
174.49786	2.3
181.41420	2.5
190.96295	12.1
194.93288	2.8
195.96887	4.5
197.98488	5.0
206.70018	2.4
210.96777	16.5
211.45187	3.1
228.97841	18.0
262.25439	13.9
283.24176	2.6
319.19443	9.6
337.20581	12.2
384.49268	2.3
455.18570	20.5
459.61499	2.7
466.83786	3.0
473.19781	100.0
474.20203	7.8
496.21213	10.9
515.14496	29.5
516.24213	6.0
542.32001	2.7
576.50604	4.0
577.13257	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	577.1555
Annotation	Maysin
Peak:m/z	Relative Intensity
55.01890	1.7
57.03437	2.9
69.17812	8.9
73.02950	1.6
85.02891	3.6
91.05506	2.0
98.22700	3.4
107.04949	3.5
119.04945	8.5
121.02870	33.7
145.02884	3.3
159.04372	1.9
165.01846	2.8
175.03897	3.1
177.01878	6.1
179.03372	3.1
189.01878	10.1
191.03392	4.3
195.02835	8.8
199.03914	2.2
203.03397	19.9
205.05164	1.8
207.02890	7.0
217.01570	1.9
217.04961	8.6
219.02943	4.0
221.04478	4.9
227.03444	2.8
229.04991	3.1
231.02898	3.0
233.04427	2.8
239.03172	2.1
243.03043	2.1
245.04489	2.1
255.02875	6.0
267.06479	2.8
268.07306	5.7
273.03967	2.0
279.06528	3.8
280.07156	1.9
281.08163	2.7
283.06039	20.9
284.06845	2.7
293.08115	4.8
294.05188	9.1
295.06018	100.0
296.06747	8.0
297.07535	15.9
307.06042	64.1
307.09412	3.5
308.06757	13.0
309.07520	20.6
312.06445	2.9
313.06906	2.4
319.06018	8.1
320.06808	4.4
321.07568	52.1
322.08350	11.7
323.05414	6.2
323.09113	6.1
324.06305	3.7
325.07065	61.1
326.07785	4.0
333.07571	8.9
334.04688	4.4
334.08548	2.7
335.05389	6.1
335.09079	27.0
336.06177	3.7
337.07080	34.4
339.08786	2.0
345.07532	5.0
347.05585	3.4
347.09137	11.1
349.07071	43.7
349.10590	1.5
350.07852	6.3
351.08682	10.9
353.06482	6.2
357.07562	2.0
360.06183	2.9
361.07040	21.2
363.08673	20.8
365.06369	6.8
365.10397	6.6
367.08160	4.5
373.07010	8.1
374.07840	2.1
375.08664	9.5
377.06641	9.0
378.07324	5.6
379.08237	19.3
381.10065	2.0
385.07056	3.4
387.08847	2.6
389.10620	3.2
391.03314	3.0
391.08112	47.9
393.09497	4.1
403.08017	11.9
407.07269	2.7
409.09177	50.5
415.09857	1.8
417.09662	4.3
419.07507	5.2
421.08990	11.8
427.10284	29.1
433.09232	2.2
435.10611	2.8
437.08508	3.8
439.10172	18.0
445.09122	4.4
449.12534	2.2
457.11395	32.9
463.10324	15.5
475.10208	7.0
481.11316	90.7
482.11453	4.6
487.10092	4.0
493.11288	17.7
505.11304	15.3
511.12491	24.7
523.12482	20.3
541.13373	30.7
559.14410	23.4
577.15247	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	577.1553
Annotation	Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03939	0.1
63.89910	0.1
67.01859	0.4
67.23305	0.1
68.99759	0.4
69.03440	0.3
69.07031	0.1
69.72117	0.1
70.06567	0.2
72.08125	0.1
73.02880	0.1
81.03425	0.3
81.07077	0.1
84.56472	0.1
85.02908	0.6
86.09679	0.2
91.05439	0.2
93.07041	0.1
97.02885	0.4
99.04471	0.4
103.03926	0.5
105.06979	0.1
107.08550	0.1
109.02879	0.3
119.04941	1.3
120.08090	0.1
121.02866	0.9
123.04488	0.1
127.03911	1.1
129.01863	0.1
145.02841	0.7
145.04939	0.4
153.01822	4.1
163.03882	0.2
171.02892	0.6
185.05940	0.1
187.03900	0.1
187.05972	0.2
197.06093	0.1
203.06970	0.2
225.05466	0.5
229.05032	0.3
243.06503	0.3
247.06128	0.1
253.04848	0.1
271.05994	100.0
272.06345	2.4
272.08612	0.0
283.05725	0.1
295.05954	0.4
307.06052	0.2
308.06757	0.1
309.07645	0.1
313.07001	0.3
319.06198	0.1
321.07437	0.1
325.06992	0.2
332.25836	0.1
333.25931	0.1
335.09006	0.1
337.06979	0.2
347.08975	0.1
349.06955	0.1
379.08023	0.1
391.08267	0.2
409.09116	0.2
419.73047	0.1
421.08920	0.1
427.10666	0.1
433.11383	0.1
439.10034	0.1
481.11322	0.3
515.15686	0.3
516.29388	1.6
517.29657	1.5
523.12433	0.1
541.13422	0.3
559.14301	0.4
560.36646	0.1
576.31628	0.2
576.66028	0.1
577.15503	3.4
577.31848	0.5
578.15875	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	577.1557
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
55.05501	8.9
57.03434	4.8
59.10069	2.4
63.03445	2.6
65.03927	2.1
67.05503	5.1
69.03403	3.8
70.06596	14.0
71.46308	3.1
72.08147	7.2
79.05495	3.7
81.03407	5.6
81.07053	6.5
83.08619	7.3
84.08140	5.3
85.02897	8.4
86.09708	6.0
90.66718	2.5
91.05460	4.8
93.07048	4.4
95.08603	2.4
96.08127	2.8
97.06561	2.5
100.07595	2.5
100.11255	28.2
103.03954	3.1
105.07027	6.2
107.04979	2.5
107.08621	3.4
111.04417	3.2
115.05363	3.2
119.04932	10.0
120.08089	6.4
121.02873	24.7
121.06519	4.0
121.10169	4.4
127.03941	6.1
128.07060	3.6
163.03871	3.6
175.03938	4.4
177.01822	4.5
180.70959	2.4
182.15430	10.6
187.10960	2.6
189.01819	5.1
189.05482	2.8
191.03416	4.7
195.02898	9.4
196.02724	2.7
203.03398	10.9
207.02902	6.6
207.06621	5.2
210.14888	8.6
217.04930	5.8
219.02844	3.4
221.04491	3.5
221.61978	2.9
248.08388	2.6
253.17950	3.0
260.09521	4.3
268.07385	4.2
271.05948	16.0
278.10623	12.4
279.06534	4.8
283.06000	25.7
284.06729	4.0
289.09317	3.0
293.08008	5.3
294.05270	12.5
295.06021	97.9
296.06653	9.5
296.11746	6.5
297.07596	10.6
307.06018	58.7
308.06699	9.5
309.07535	27.2
310.07993	2.6
313.07068	4.5
319.05960	9.2
320.06848	10.7
321.07556	27.6
322.04639	3.5
322.08160	3.3
323.05386	7.5
323.09088	7.0
325.07062	58.8
333.07535	8.4
335.05371	13.9
335.09125	28.0
336.06149	6.1
336.09833	3.9
337.07053	31.7
338.12769	5.2
345.07581	5.4
347.05566	5.9
347.09061	9.9
348.25946	2.5
349.07059	16.2
350.08093	5.7
351.08582	7.3
353.06485	9.3
361.06955	5.8
363.08594	30.6
365.06467	11.9
365.10431	4.4
367.21716	3.9
373.06851	3.0
375.08655	10.2
377.06357	6.3
379.08127	8.2
381.09689	3.9
387.08728	4.4
391.08182	38.0
391.18921	4.3
393.09464	6.9
397.09323	4.3
397.22717	2.6
403.08124	11.7
405.09723	3.1
409.09238	35.4
421.09241	32.2
427.10202	9.7
433.09152	5.8
435.10941	3.2
437.08508	7.5
439.10324	32.8
441.11099	2.9
451.09952	3.1
452.40350	2.6
455.09875	3.2
457.11047	7.2
459.09958	2.7
461.08316	3.2
463.10287	5.6
477.11566	9.1
479.09439	6.2
481.11307	12.5
487.10321	4.3
495.12759	13.4
497.10571	6.4
505.11218	27.5
513.88660	5.2
523.12469	54.6
541.13409	100.0
542.13385	3.4
559.14343	17.1
568.41095	15.4
576.40845	4.0
577.29834	36.2
577.41589	51.2
577.91919	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	577.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90635	1.5
57.03442	1.8
65.04675	1.7
69.70624	4.9
69.71010	2.7
73.02909	2.3
85.02893	5.1
93.03375	1.6
103.03912	3.0
103.35774	1.7
105.18455	1.6
107.04996	2.2
109.02850	2.4
111.04454	1.7
119.04931	9.2
121.02868	34.7
135.04378	1.6
145.02856	3.4
154.94139	1.8
161.02376	2.0
165.01979	1.8
175.03880	3.0
177.01897	5.1
177.05457	2.1
179.03430	3.8
188.97630	1.8
189.01825	12.1
189.05482	1.8
191.03413	6.7
195.02910	8.5
199.03870	2.2
201.01843	3.3
203.03392	19.9
207.02873	9.2
210.03549	1.6
213.05536	1.7
215.03593	1.6
217.04909	8.3
219.02821	2.9
221.04361	3.6
227.03381	3.5
229.04886	3.7
231.02942	3.4
233.04462	2.3
239.06821	2.0
241.04887	1.6
247.02319	2.6
255.02954	4.2
267.06555	5.2
268.07294	5.2
271.05978	1.7
279.06580	5.0
280.07159	1.8
281.08151	2.4
283.06000	17.3
284.06662	5.0
285.07544	2.0
293.08072	2.4
294.05289	12.3
295.06009	100.0
296.06726	11.5
297.07584	14.0
305.08038	2.6
307.06009	71.0
308.06818	21.2
309.04150	3.4
309.07516	26.3
313.07071	8.2
317.08020	4.0
319.06192	7.6
319.09317	2.6
320.06781	8.0
321.07547	47.9
322.08035	8.9
323.05463	4.7
323.09003	5.8
325.07047	71.6
326.07623	3.0
331.05746	2.0
333.07462	10.8
334.08279	3.1
335.05408	5.0
335.09106	25.8
336.06122	9.2
337.07065	46.2
337.10443	1.9
338.07690	2.3
339.08621	5.9
345.07440	6.3
346.08368	4.2
347.05441	2.7
347.09073	14.8
349.07065	59.4
349.10645	2.4
350.07639	4.5
351.08585	19.6
353.06589	7.0
355.08282	2.8
361.07135	13.8
361.10989	2.8
363.08615	21.7
365.06320	8.0
365.10495	10.1
367.08167	5.5
373.07050	8.5
374.07883	3.2
375.04446	1.6
375.08624	22.0
377.06528	6.5
377.10495	4.1
378.07254	2.3
379.08151	24.1
381.09763	2.5
385.07117	3.8
389.10223	6.6
390.07330	1.8
391.08075	36.7
392.08191	3.7
393.09692	16.1
395.07669	3.5
397.09271	5.0
403.07993	16.8
405.09512	4.7
407.07449	2.8
409.09195	31.1
415.09354	1.7
417.09659	8.4
419.07315	2.4
421.09158	42.0
422.09460	2.5
427.10248	33.6
429.09183	2.4
433.09396	2.5
435.10797	3.4
439.10242	68.8
440.10641	4.3
445.09091	11.2
447.10773	2.1
451.10022	2.9
455.09756	1.8
457.11420	27.4
459.10614	2.9
463.10251	16.0
475.10129	9.1
477.11804	3.2
481.11356	32.5
487.10193	5.1
493.11044	6.8
495.12759	8.9
497.10406	4.0
499.12558	1.8
505.11465	15.8
511.12286	8.5
513.13885	5.0
515.11359	2.0
523.12292	36.3
541.13428	55.3
542.13617	3.9
559.14410	52.3
577.15228	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	577.1684
Annotation	Fisetinidol-(4alpha->8)-6-C-methylcatechin
Peak:m/z	Relative Intensity
58.26310	1.3
58.34279	1.4
70.06590	4.7
71.45100	1.7
75.28064	1.3
78.18909	1.5
79.30466	1.7
84.08106	1.5
98.97612	1.8
131.04912	4.7
133.96799	1.4
135.21312	1.5
146.07268	4.5
161.09627	3.7
295.05975	4.4
335.09225	1.7
349.07339	1.7
361.06277	1.6
379.08243	1.8
457.11450	2.4
577.16809	100.0
578.17755	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	577.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82436	1.0
52.08908	0.8
53.59632	0.9
69.39359	5.2
115.41547	0.9
117.20123	0.9
170.98442	1.0
174.49985	0.9
198.11800	0.9
222.58530	0.8
577.20422	100.0
577.92499	1.1
578.20642	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	577.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57313	1.0
61.62265	0.9
69.55424	3.9
69.55770	1.0
80.94875	1.1
95.42362	1.0
100.11276	1.2
107.40572	1.0
109.89674	0.9
207.55328	1.0
327.55618	0.9
331.15558	1.0
406.40692	1.1
463.32843	1.0
577.20453	100.0
577.91772	1.3
578.20917	4.5
596.39130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.9
70.06594	1.1
71.04983	2.6
84.63611	0.9
85.02905	3.3
129.05444	1.0
145.02853	1.1
153.01816	1.5
271.06003	86.4
292.22375	1.7
303.15729	2.4
372.22736	1.1
393.05652	0.9
415.26898	2.4
416.27774	7.1
433.11304	13.7
578.32935	100.0
579.21802	2.8
579.33301	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	578.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55950	0.6
57.07074	5.1
58.06602	1.6
58.07414	0.6
60.08168	6.0
67.05501	0.6
71.07378	2.2
71.08640	0.9
77.40280	0.5
79.15105	0.5
86.09708	15.2
89.06032	4.8
89.17989	0.5
90.06364	0.9
91.05491	0.5
95.08578	1.0
100.51588	0.5
104.10747	100.0
105.11098	1.2
121.06500	1.4
122.06848	0.6
125.00012	1.2
125.45512	0.5
133.08601	2.0
134.08955	0.7
146.98178	2.2
156.97533	1.0
165.09106	0.5
166.09402	0.5
174.98676	0.8
177.11284	0.9
178.11569	0.7
182.99074	5.3
185.37422	0.5
188.79312	0.5
194.99149	0.6
197.98300	0.6
201.00078	5.9
203.00801	1.8
206.00560	0.6
208.93097	0.7
213.00078	1.1
221.00571	1.4
225.00151	0.8
233.19086	1.0
234.19382	0.5
239.01582	2.9
240.09901	0.6
243.01138	1.7
262.08139	0.9
266.06415	0.6
268.00433	1.1
278.21921	0.9
279.22549	0.6
284.07501	2.2
313.27393	0.8
313.83078	0.5
322.01447	1.4
338.69388	0.5
339.38672	0.5
344.73297	0.5
358.15262	0.5
421.21762	0.6
439.22916	0.9
449.26480	0.9
459.24927	3.6
478.32895	1.0
480.29187	1.3
518.32166	8.5
519.25665	1.3
520.32587	0.9
560.32135	1.1
561.38574	2.1
564.47711	0.5
578.33588	3.9
578.41235	0.9
579.33032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
54.91863	1.1
55.01864	4.8
55.05511	23.7
57.03440	16.7
57.07075	2.7
65.03935	3.7
67.05506	74.9
69.03423	2.4
69.07071	22.4
69.13706	4.8
69.14112	1.7
71.04987	4.6
73.02919	2.5
77.03930	1.6
79.05496	64.7
81.03397	3.2
81.07057	69.2
83.04996	6.0
83.08622	17.5
85.06528	2.2
91.05482	26.0
91.06039	1.8
93.07045	92.6
95.04967	14.2
95.08609	91.3
95.09109	1.5
97.02895	3.3
97.06542	6.3
97.10161	2.8
99.04463	6.1
99.08060	1.5
105.04501	3.5
105.07040	18.2
107.04972	13.9
107.08593	57.1
109.06517	2.8
109.10145	19.0
111.04485	2.4
111.08083	2.3
111.24046	1.2
115.05405	1.5
117.07024	18.4
119.08585	25.2
121.06517	8.8
121.09272	2.1
121.10141	32.6
123.08054	1.7
123.11720	4.1
125.05995	3.4
130.07780	3.6
131.08600	8.2
133.10129	8.9
135.08049	4.0
135.11693	84.8
139.07526	3.7
145.10123	49.0
147.11707	3.1
149.13281	4.5
159.11719	3.3
161.13254	2.6
163.11180	100.0
173.09657	1.4
173.13251	2.4
181.12242	14.5
187.14894	1.3
209.11739	1.8
227.12778	94.2
228.13123	2.3
243.20998	2.9
249.84253	1.1
261.22168	8.0
283.15399	66.2
284.15848	1.6
317.24722	1.5
335.25800	95.3
336.26031	3.4
398.75574	1.4
425.58057	1.1
526.52289	1.3
532.64594	1.4
543.36768	60.4
544.36877	1.8
546.45282	1.2
605.87048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1505
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
53.03953	0.8
55.01873	1.7
65.03925	0.7
66.71036	0.8
68.99783	5.4
69.29989	2.6
69.30397	1.3
70.06597	1.8
81.03416	3.4
84.08151	1.3
88.02708	0.7
95.05005	1.9
98.23432	1.7
98.41104	1.0
98.97602	1.1
99.04446	0.7
107.04952	3.5
109.02879	3.6
111.00790	2.1
111.04446	1.9
119.04931	1.7
121.02882	2.5
123.03522	1.5
123.04427	41.4
127.03915	100.0
129.07103	0.9
131.04956	2.5
135.04411	27.5
137.02347	2.7
137.05956	0.8
139.03900	48.3
141.06970	0.8
143.04909	0.9
147.04425	6.2
149.02332	5.0
149.05980	1.9
151.03914	6.8
151.99553	0.8
159.04453	2.2
161.05977	3.4
163.03908	34.3
165.05466	5.8
167.03426	7.5
169.06477	2.2
173.06018	2.2
175.03915	4.5
175.69231	0.8
177.05516	4.8
179.03386	2.9
181.06372	1.2
183.04408	0.8
185.05882	1.2
187.03903	6.6
189.05452	2.4
191.03403	10.8
193.04950	3.6
197.05975	3.2
201.05435	6.0
203.03394	8.0
203.07051	2.5
205.04897	3.8
207.06593	1.0
213.05482	1.5
215.03430	2.0
215.07004	2.0
217.05013	2.9
225.05486	1.6
225.97380	0.8
229.04875	6.2
231.06526	1.3
233.04420	5.7
241.04967	1.3
243.06531	4.9
245.04445	6.1
247.06029	14.4
251.05515	1.6
255.06572	1.7
257.04443	7.9
259.06036	7.6
269.04480	2.3
271.06003	30.2
273.07510	1.0
275.05511	14.7
283.06027	6.5
287.05511	19.3
288.05942	0.9
289.07056	13.0
291.08575	12.3
299.05518	2.5
301.07065	14.1
303.08499	1.6
338.96808	1.2
399.77670	0.8
409.09164	22.4
410.09268	0.9
411.10638	3.8
421.09103	1.4
427.10196	8.3
579.15936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
53.89698	0.1
57.03444	0.1
60.54330	0.1
67.01862	0.4
68.99790	0.3
69.03417	0.1
70.06580	0.1
70.84621	0.2
71.04972	0.4
73.26064	0.1
74.06957	0.1
78.38586	0.1
81.13982	0.1
83.04989	0.2
84.23106	0.1
85.02901	1.0
91.05476	0.4
93.07039	0.1
97.02879	0.2
97.06480	0.1
100.11261	0.1
105.07037	0.1
111.04472	0.1
114.67032	0.1
119.04942	1.7
119.05752	0.2
121.02871	0.5
121.06530	0.2
125.05977	0.2
129.01813	0.1
129.05458	0.2
139.07585	0.1
143.06999	0.2
145.01770	0.1
145.02815	0.5
145.10106	0.3
147.06488	0.1
153.01826	4.4
163.03912	0.5
163.11180	0.7
171.02925	0.5
173.09622	0.1
215.10707	0.1
225.05466	0.4
229.04997	0.3
233.11671	0.5
242.10271	0.1
243.06483	0.3
251.12823	0.2
262.98444	0.1
269.13870	0.2
271.05994	100.0
272.06335	2.5
274.97464	0.1
338.96429	0.1
420.96869	0.1
433.11084	0.4
473.88434	0.1
496.95404	0.1
578.32837	0.3
579.16968	0.3
579.33392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.03913	0.2
55.49564	0.1
64.90179	0.1
69.85250	0.2
69.85573	0.4
70.06583	0.3
72.08171	0.2
83.76310	0.1
84.15782	0.1
92.89153	0.2
107.04927	0.2
121.02861	2.3
123.04411	1.0
127.03908	3.2
134.30103	0.1
135.04428	0.7
139.03874	1.5
141.06989	0.4
145.06487	0.4
147.04417	0.2
149.02319	0.3
151.03859	0.2
155.05991	0.2
163.03926	1.1
169.06503	0.6
173.05997	0.6
180.14825	0.1
187.03871	0.3
197.05960	1.0
201.05539	0.2
203.03416	0.4
215.07001	0.5
225.05348	0.3
226.06152	0.2
233.04498	0.2
243.06549	0.3
247.06041	0.5
253.04988	0.2
257.04495	0.2
259.06204	0.3
271.05994	100.0
272.06348	2.7
274.97418	0.2
275.05530	0.4
283.05862	0.4
287.05472	1.0
289.06952	0.3
291.08765	0.2
317.34369	0.2
409.08960	0.6
420.97479	0.3
427.10269	0.2
433.11356	2.3
579.17017	4.8
580.17004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89698	0.1
57.03444	0.1
60.54330	0.1
67.01862	0.4
68.99790	0.3
69.03417	0.1
70.06580	0.1
70.84621	0.2
71.04972	0.4
73.26064	0.1
74.06957	0.1
78.38586	0.1
81.13982	0.1
83.04989	0.2
84.23106	0.1
85.02901	1.0
91.05476	0.4
93.07039	0.1
97.02879	0.2
97.06480	0.1
100.11261	0.1
105.07037	0.1
111.04472	0.1
114.67032	0.1
119.04942	1.7
119.05752	0.2
121.02871	0.5
121.06530	0.2
125.05977	0.2
129.01813	0.1
129.05458	0.2
139.07585	0.1
143.06999	0.2
145.01770	0.1
145.02815	0.5
145.10106	0.3
147.06488	0.1
153.01826	4.4
163.03912	0.5
163.11180	0.7
171.02925	0.5
173.09622	0.1
215.10707	0.1
225.05466	0.4
229.04997	0.3
233.11671	0.5
242.10271	0.1
243.06483	0.3
251.12823	0.2
262.98444	0.1
269.13870	0.2
271.05994	100.0
272.06335	2.5
274.97464	0.1
338.96429	0.1
420.96869	0.1
433.11084	0.4
473.88434	0.1
496.95404	0.1
578.32837	0.3
579.16968	0.3
579.33392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Swertisin 2''-O-arabinoside
Peak:m/z	Relative Intensity
57.03414	2.8
60.12721	1.8
61.02929	2.4
69.03432	21.9
69.70851	5.5
69.71227	4.1
74.16693	2.1
83.30037	2.3
85.02907	4.0
86.09747	2.6
86.14095	2.0
101.83595	1.9
107.04962	2.3
119.04923	8.3
121.02878	33.7
121.03827	2.6
135.04385	3.0
145.02876	5.5
189.01814	8.3
191.03439	4.9
195.02924	6.9
199.03918	2.2
203.03412	16.8
205.04944	3.8
207.02849	8.2
215.03384	4.0
217.04930	4.5
219.02837	6.9
221.04494	5.6
229.05000	7.5
257.04431	5.4
261.03903	2.4
268.07162	3.1
271.06039	2.1
274.97702	2.6
279.06573	7.5
281.07956	2.6
283.05911	9.9
284.06781	3.4
285.03986	2.4
291.06723	2.2
291.88956	2.1
293.08139	5.6
294.05127	17.1
295.06021	69.2
295.09207	2.9
296.06653	8.8
297.07523	10.9
307.06003	49.1
307.09174	2.4
308.06799	16.8
309.07516	19.4
313.07141	4.1
319.05988	3.7
320.07019	4.3
321.07571	47.6
322.08328	13.5
323.05551	2.5
323.09018	5.1
325.07053	100.0
326.07382	3.8
331.09439	3.7
333.07544	9.6
335.09158	12.3
336.06192	3.2
336.09891	4.5
337.07040	52.0
337.10672	3.4
346.08319	2.5
347.09146	20.7
349.07071	55.5
349.10599	2.0
350.07483	2.9
351.08582	29.6
355.08078	6.5
357.07562	2.4
359.08829	2.3
361.07031	11.6
363.08823	10.8
365.10123	11.8
367.08078	8.3
373.07028	6.7
374.07477	2.5
375.08591	40.4
377.06213	3.6
377.10297	5.4
379.08081	45.7
381.09735	2.4
385.06958	3.7
389.10147	4.7
391.08075	14.2
393.09747	42.3
401.10385	3.7
403.08109	26.5
405.09766	11.9
409.09149	31.9
411.10748	44.7
415.07956	6.0
419.11282	6.3
421.09177	14.4
423.10815	6.1
427.08026	4.4
429.11865	24.6
433.13309	2.7
434.08780	2.3
439.10400	16.6
441.11655	13.8
443.11304	3.3
447.10782	19.6
457.11292	38.6
459.12903	19.6
463.10391	4.1
465.11819	50.6
471.10770	8.1
477.11810	3.1
483.12872	56.3
484.13385	3.0
486.56863	2.4
489.11710	9.0
495.12839	32.1
507.12842	25.1
513.13922	40.3
525.13928	28.4
543.15063	32.9
561.16016	27.3
579.16815	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	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60178	0.9
55.01865	2.0
57.03433	1.7
61.02917	3.8
65.03928	1.7
67.05506	1.5
68.99792	1.6
69.03064	2.3
69.03432	41.0
70.06573	2.2
70.25994	1.6
73.02901	1.1
76.54784	1.2
81.03419	1.9
85.02892	4.3
91.05507	1.7
93.03395	1.5
95.04945	1.5
98.22800	1.5
103.03947	2.1
105.03345	1.4
107.04951	4.2
109.02887	1.7
111.04453	2.1
117.07002	1.3
119.04949	7.2
121.02868	33.5
121.03788	2.1
123.04424	32.5
127.03910	22.0
133.06444	1.2
135.04440	9.8
139.03900	10.2
143.04904	1.3
145.02850	6.2
147.04358	6.2
151.03934	3.2
159.04427	2.4
161.02319	1.7
161.05962	3.2
163.03912	10.7
165.05492	3.2
167.03380	1.5
169.06459	1.2
171.04427	1.2
173.06020	2.0
175.03868	1.1
177.01785	2.1
179.03401	2.3
185.05977	2.1
187.03896	4.1
189.01860	6.6
189.05424	2.9
191.03381	7.3
193.05019	3.3
195.02896	4.0
197.05965	1.9
201.05441	3.2
203.03389	15.7
203.07097	1.2
205.04962	4.0
207.02948	4.7
208.03658	1.2
213.05528	3.5
215.03362	2.9
215.06877	1.4
217.04982	4.0
219.02872	5.5
221.04448	4.4
225.05634	2.3
227.03363	2.2
229.04915	8.0
231.02802	2.5
231.06508	2.2
233.04535	3.7
239.03465	2.1
241.04933	5.0
243.06496	2.6
245.04610	5.5
247.05988	6.3
253.04933	2.0
255.03023	1.7
255.06383	2.8
257.04498	11.5
259.06000	2.9
267.06570	3.3
268.07263	1.5
269.04453	4.4
271.05957	7.2
275.05521	5.0
279.06580	5.1
281.04736	1.1
281.08090	4.5
283.05957	8.0
284.06873	1.9
287.05423	14.4
289.07065	3.5
291.08987	2.4
293.05011	1.1
293.08069	4.9
294.05237	20.7
295.02612	2.5
295.06000	45.6
295.09283	1.9
296.06720	4.2
297.07407	6.3
299.05472	4.1
301.07135	4.5
305.08002	4.1
307.05997	46.6
307.09186	1.6
308.06778	16.8
309.04184	2.3
309.07538	12.8
311.05557	1.2
313.07043	4.2
317.08044	2.3
318.08826	2.0
319.05981	5.9
319.09528	2.5
320.06827	4.0
321.07544	35.8
321.11273	1.9
322.08237	10.4
323.05597	2.5
323.09183	7.1
325.07043	36.3
326.07193	1.4
329.08081	1.5
331.09662	4.9
333.07571	12.1
334.08206	5.7
335.05585	1.7
335.09109	13.8
336.06186	6.6
337.07053	54.4
338.07410	3.0
338.96567	1.2
339.08713	3.3
343.09702	7.6
345.07584	4.7
346.08115	1.3
347.05426	1.9
347.09131	14.4
348.09842	1.8
349.07062	36.5
349.10739	2.6
350.07477	3.1
351.08597	24.4
352.08795	1.5
355.08096	11.4
357.07452	3.4
359.09146	12.1
361.06989	11.4
361.10797	5.7
362.07724	2.7
363.08633	12.9
365.10379	1.9
367.08014	6.6
369.07520	2.4
373.07001	2.6
373.10873	2.9
375.08612	34.5
376.09134	3.2
377.10202	8.9
379.08093	47.6
380.08615	3.1
381.09680	4.8
385.10611	2.5
387.08585	25.4
387.12936	2.1
389.10233	7.3
391.08051	8.4
393.09671	10.6
397.09824	1.3
401.10358	5.1
403.08096	13.3
405.09680	41.8
406.10205	1.8
409.09143	20.5
411.10760	1.5
413.10117	2.5
415.07907	3.4
415.12332	2.3
417.09717	6.9
421.09271	7.7
423.10742	56.2
424.10867	2.2
427.10297	13.0
429.09698	14.7
433.09036	2.0
435.11005	5.5
439.10428	5.9
441.11813	35.4
442.11856	1.7
443.11374	2.1
445.09402	2.0
447.10886	14.1
457.11298	15.8
459.11020	5.8
463.10162	8.4
465.11923	1.7
471.10901	5.0
475.12256	14.9
481.11337	55.0
482.11346	2.3
489.11908	7.8
499.12357	51.5
500.12332	1.8
507.12964	16.8
520.50110	1.2
525.13910	100.0
526.14044	3.7
543.14905	64.0
544.15076	4.6
561.16034	28.4
579.16962	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	579.171
Annotation	17306-46-6
Peak:m/z	Relative Intensity
50.74881	0.2
51.51743	0.2
57.03438	0.2
67.01875	0.3
68.99799	0.3
69.81723	0.3
69.82059	0.4
71.04993	3.0
73.17102	0.2
73.63097	0.2
85.02899	3.5
91.05473	0.2
91.56634	0.2
98.22790	0.3
104.32666	0.2
119.04988	1.0
121.02837	0.6
129.05481	1.0
139.66293	0.2
145.02852	0.4
153.01826	2.7
163.03900	0.3
165.88634	0.2
171.02867	0.4
229.04951	0.2
271.05994	100.0
272.06305	3.3
416.27408	0.3
417.27991	0.2
433.11307	16.1
434.11612	0.6
445.03055	0.2
530.02582	0.2
536.09821	0.2
578.32849	3.0
579.21826	1.9
579.33173	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	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01860	1.1
67.01866	7.8
68.99796	3.6
69.03432	5.1
70.06590	8.6
71.04980	1.8
72.08152	1.7
73.00414	0.8
73.02889	1.3
81.03409	4.9
81.07060	2.5
84.08138	1.6
85.02912	14.5
86.09707	3.5
87.10040	1.2
91.05486	4.0
93.07024	1.8
95.04971	2.1
95.08604	1.4
97.02889	8.6
99.04458	8.9
103.03933	12.0
105.07023	1.3
107.04977	1.8
107.08597	2.0
109.02860	5.9
109.10173	0.9
111.02422	0.8
117.07002	1.0
119.04943	3.4
119.08557	1.7
120.08116	3.9
121.02880	1.5
121.06480	4.6
121.08440	0.9
121.10172	0.9
123.04453	1.2
125.02340	1.6
127.03903	21.7
127.58852	0.8
128.16997	0.8
131.08536	1.2
133.10178	0.9
135.11649	0.9
145.04979	12.3
145.10179	1.1
147.04401	17.1
153.01822	90.4
153.10255	0.9
154.02223	1.5
159.11716	1.4
163.03896	0.9
163.06030	3.8
167.07069	1.8
171.02884	43.4
177.01793	1.5
177.05498	1.1
179.03363	2.7
187.06018	2.2
191.03418	1.4
195.02873	16.1
207.06548	1.6
208.54309	0.7
219.02820	2.0
219.13783	0.9
243.02945	1.0
245.38994	0.8
261.03964	3.6
271.05832	7.6
272.06326	2.5
273.07571	100.0
274.07990	2.9
284.73236	1.0
297.07684	4.3
311.05450	0.9
315.08658	6.6
319.04575	0.9
325.06964	0.8
339.08517	3.4
363.08658	1.8
381.09735	4.5
525.13861	1.3
543.12427	0.8
579.23419	6.5
579.35364	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05503	0.9
57.03437	0.7
61.02911	0.6
66.08174	0.5
67.01866	7.1
67.05492	0.9
68.99786	3.2
69.03416	2.3
69.07030	0.5
70.06590	4.5
71.04996	1.5
71.44952	0.6
72.08150	1.6
73.02905	1.1
79.05499	0.6
81.03432	4.6
81.07047	0.9
84.08141	1.0
85.02905	13.6
86.09700	2.2
91.05476	2.6
93.07052	0.9
95.04916	0.6
95.08586	1.0
97.02887	8.6
99.04450	8.7
103.03948	11.3
105.07027	1.5
107.04940	1.3
109.02886	5.0
109.10177	0.6
110.03267	0.7
111.00770	0.8
117.07045	0.8
119.04953	3.9
119.08582	0.7
120.08088	1.7
121.02858	1.1
121.06480	3.3
123.04422	1.6
125.02344	1.3
127.03034	1.3
127.03919	20.3
129.01816	1.4
131.08546	0.7
133.10089	0.9
139.11098	0.6
143.66151	0.5
145.04956	10.2
147.04404	12.3
151.03868	0.7
153.01823	96.0
154.02193	1.4
159.11674	0.9
160.12053	0.9
163.03915	0.7
163.05995	2.9
165.01874	0.6
167.07024	1.4
169.04982	0.9
171.02884	37.6
177.01797	1.3
177.05508	0.7
179.03407	2.3
181.05037	0.7
183.02879	0.7
187.06050	0.9
191.03383	1.4
195.02892	14.5
207.02892	0.8
215.03473	1.1
219.02922	2.4
243.02936	1.1
243.40779	0.5
261.03973	3.4
271.05960	5.1
271.08414	0.9
272.06314	1.2
273.07571	100.0
274.07849	2.9
279.04965	0.9
285.07593	0.9
297.07666	3.2
310.71216	0.6
315.08713	5.8
339.08493	2.7
363.08612	1.6
381.09662	3.9
399.10968	1.4
417.15680	0.8
438.07861	0.6
525.14294	1.0
543.15216	0.6
579.23651	4.0
579.35040	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	580.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56150	1.4
57.03419	3.7
59.00851	1.5
67.05516	3.3
69.03421	15.0
69.07061	6.9
70.02124	3.0
71.05002	3.2
79.05500	10.0
81.07047	4.2
83.04972	13.9
85.02879	11.8
87.04460	6.4
91.05482	5.5
93.07048	9.9
94.18980	1.6
95.04971	4.5
95.08598	5.6
97.02895	9.6
97.06520	12.5
99.04450	2.5
105.07034	15.3
107.04967	9.8
107.08593	10.9
109.06516	3.8
115.03930	9.9
117.07026	3.2
119.04960	4.6
119.08573	6.4
121.06502	11.9
121.10119	2.5
125.05988	24.5
131.08548	5.4
133.04974	8.6
133.06508	5.5
135.08052	2.9
135.11722	4.4
137.05975	1.7
139.07521	5.8
143.07024	33.4
143.08221	2.2
145.06480	3.0
145.10120	34.1
146.03026	1.8
147.08185	1.5
147.11676	4.9
151.07603	8.1
153.01840	5.0
154.02158	2.1
159.11711	9.1
160.85851	1.8
163.11177	87.6
169.10109	3.8
173.09621	25.1
177.12741	2.5
187.11179	19.0
189.12721	3.3
191.10657	17.7
197.09613	4.2
205.12201	18.9
209.11740	4.7
214.24919	1.6
215.10655	19.4
233.11726	77.1
251.12790	28.1
269.13812	29.1
271.05997	85.3
272.06329	100.0
273.06454	3.2
294.05762	1.7
402.15790	1.8
413.18353	1.9
537.36224	1.7
540.08734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01870	6.1
55.05510	19.6
57.03432	9.2
67.05506	29.8
69.03423	3.8
69.07064	15.4
70.06598	7.1
71.04976	8.6
72.08150	4.7
78.72038	3.5
79.05489	26.3
81.03426	14.8
81.07054	52.7
83.04971	9.5
83.08632	8.6
85.02901	16.1
85.06543	3.2
86.09701	3.6
91.05503	22.0
93.07034	31.8
95.04987	12.2
95.08609	19.5
97.02882	8.2
97.06520	10.4
97.10162	21.9
98.23516	7.1
99.04459	4.4
99.08092	3.0
103.03954	5.5
104.22097	2.8
105.07040	19.0
107.04958	7.4
107.08605	18.5
109.06531	8.5
109.10166	11.1
111.04433	8.6
111.08088	8.3
115.07553	3.9
117.07003	7.0
118.46243	2.9
119.04947	5.0
119.08604	20.9
120.08102	4.4
121.06469	7.1
121.10186	15.1
123.08080	21.3
125.09632	21.1
127.03867	7.1
129.07057	6.1
131.08549	11.4
133.10110	11.8
135.08075	8.9
135.11693	7.3
136.15010	2.9
137.09627	5.6
139.11224	2.6
143.08562	5.1
145.02867	3.8
145.04932	7.3
145.10135	9.4
147.04390	4.3
147.08035	4.4
147.11700	4.6
149.05957	3.9
149.09605	6.3
153.12788	3.3
157.10150	7.3
159.11728	7.2
161.09668	4.9
163.06035	3.5
163.11186	17.4
171.11632	5.3
173.09538	4.2
175.11180	5.8
177.05489	8.1
177.12735	3.7
181.12238	9.3
189.09731	3.5
189.11241	15.9
189.12756	6.0
193.12279	9.6
203.17905	7.5
207.06540	5.5
219.13895	3.5
227.12769	9.7
269.17435	5.6
271.15295	3.0
273.18588	24.2
274.11417	4.8
285.17065	4.9
291.19568	44.7
309.20731	8.0
344.25812	10.8
347.22202	4.8
358.23553	3.2
365.23248	66.8
383.24295	100.0
384.24585	4.1
418.25940	3.4
495.10590	3.6
543.15082	3.2
545.29462	5.8
580.23987	7.3
580.34216	45.9
581.19153	7.7
581.34698	9.9
605.49866	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97244	3.5
53.03941	5.6
55.01864	10.0
55.05513	20.3
57.03432	12.4
67.05504	41.5
69.03434	10.0
69.07069	29.8
69.15509	23.5
70.06596	9.0
71.04984	11.7
72.08150	5.1
79.05501	38.4
81.03432	22.7
81.07059	66.7
83.04969	12.1
83.08624	19.7
85.02898	16.7
85.06540	7.3
86.09694	5.2
91.05474	23.6
93.07039	33.2
95.04977	15.2
95.08613	17.5
97.02895	6.2
97.06529	31.3
97.10185	16.1
99.04452	8.2
99.08089	5.8
100.11246	6.3
103.03945	14.8
105.04533	4.0
105.07029	23.7
107.04975	10.6
107.08588	31.2
109.02875	8.3
109.06512	12.1
109.10145	14.9
111.04429	5.8
111.08104	8.8
113.05995	3.8
115.07593	6.6
117.07010	8.9
119.08572	27.8
121.06492	6.4
121.10139	17.1
123.08045	17.3
125.09643	18.5
127.03905	22.3
129.06996	7.7
131.08582	14.9
133.10132	10.5
135.08057	11.7
135.11761	8.6
137.09605	4.6
143.08578	7.0
145.04982	9.5
145.06538	3.7
145.10135	14.4
147.08000	10.0
147.11665	6.0
149.09705	6.2
149.13216	7.5
153.09178	6.1
157.10133	6.4
159.11711	11.2
161.09622	7.4
163.03850	4.8
163.05986	10.4
163.11220	11.3
165.09091	7.8
173.09618	4.2
175.11139	7.2
177.12732	8.0
182.15398	5.0
185.00133	4.0
189.11183	14.7
193.12289	11.5
195.13748	4.7
203.17987	8.1
210.14995	5.5
227.12816	12.5
239.16687	4.2
245.13753	4.4
269.17410	17.4
271.08276	3.9
273.18481	35.6
285.16959	10.8
291.19553	63.5
307.10284	5.1
309.20517	5.5
344.25653	8.1
347.22113	8.0
365.23218	100.0
383.24274	57.8
444.06741	6.4
498.49704	4.8
537.40088	10.2
580.23730	22.1
580.35260	45.2
581.25336	8.0
581.35840	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	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.01871	3.0
55.05509	13.4
57.03440	9.7
60.30039	1.6
65.03954	2.8
67.05502	44.6
69.07072	16.2
71.04971	3.8
71.11324	2.0
72.83674	1.7
79.05495	28.6
81.07057	73.6
83.04991	4.4
83.08625	7.5
85.06573	3.3
91.05478	25.2
93.07047	27.4
95.04969	4.1
95.08606	33.0
97.06512	3.8
99.08090	4.0
104.72742	1.9
105.07036	28.0
107.08591	19.3
109.06533	3.1
109.10156	9.3
117.07039	3.5
119.08580	26.5
121.10149	22.7
123.08078	2.2
123.11706	20.5
127.07537	2.2
129.06990	2.8
131.08591	4.5
133.10158	6.7
135.08061	1.6
135.11713	5.6
137.13245	3.0
145.10213	3.4
147.11681	43.9
149.13225	3.5
157.10149	2.4
161.13361	2.8
163.14922	2.2
165.12761	19.0
165.57829	1.6
173.13235	1.9
183.13872	4.8
186.94025	2.0
229.14426	5.8
243.21101	3.8
261.22165	14.9
267.15927	72.7
278.15530	1.8
285.16946	57.9
299.49597	1.6
317.24603	1.9
327.99631	1.7
334.29684	1.5
335.25784	100.0
527.37207	5.3
545.38385	54.1
545.44952	1.2
546.37854	2.5
593.90881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01865	6.7
55.05495	5.4
57.03432	3.1
60.04513	2.4
61.02924	4.4
69.03437	19.6
69.07442	2.3
70.06592	46.7
70.60802	2.7
70.61127	4.4
71.04990	5.0
72.08154	22.3
73.02921	10.0
79.05473	4.0
81.03409	17.1
81.07071	2.7
83.04972	4.8
84.04491	4.8
84.08133	12.5
85.02905	65.8
86.03268	2.9
86.09691	20.6
87.05600	3.0
91.05441	3.0
95.04951	3.2
97.02886	35.0
98.03230	4.8
99.04459	39.2
100.04755	3.0
103.03944	65.6
104.04296	3.2
105.07022	5.6
107.04931	4.0
109.02875	20.3
109.10230	2.3
110.07178	12.3
111.04459	2.9
112.08693	3.9
116.07116	3.2
119.04962	3.1
119.08568	6.5
120.08089	10.4
121.02860	13.3
121.06479	3.2
125.09640	2.7
127.03918	100.0
128.04254	13.6
129.10255	6.3
131.04987	3.0
131.88411	2.3
132.59543	2.3
133.10114	7.4
135.04417	10.6
135.08032	4.6
136.07594	6.2
137.02344	29.4
137.09592	3.4
143.08238	2.6
143.11758	2.6
145.04962	40.8
146.05334	8.7
149.09589	4.2
151.11256	3.1
153.09094	3.4
157.06430	2.5
161.02370	5.6
161.09592	13.0
162.10017	3.4
163.03920	3.5
163.06024	32.0
164.06313	2.7
165.09113	25.2
166.09448	8.2
171.11284	3.5
173.09380	2.5
173.12796	4.5
175.03914	3.8
175.11208	8.8
176.11464	4.4
177.01866	3.5
178.12216	4.7
179.03302	4.3
179.10712	7.8
184.71346	2.8
185.09494	2.6
187.03946	2.4
187.05951	4.2
189.01843	12.8
191.03362	6.7
193.12253	7.1
195.02878	7.9
203.03381	15.9
203.10747	11.2
204.10997	6.0
205.04904	3.4
205.06932	2.5
207.02893	11.5
213.12312	8.5
215.03343	7.3
217.04927	8.1
221.04504	6.6
221.11714	51.3
222.12021	22.1
227.03325	3.3
229.05002	3.1
231.02850	4.9
233.04384	4.5
239.12839	13.6
240.13080	7.0
255.03004	3.3
257.04568	3.8
271.08066	6.4
273.03989	3.7
283.05881	3.4
284.06717	4.7
289.09180	5.3
295.05954	18.2
296.06711	5.2
297.07568	6.9
299.05490	6.0
307.06042	9.3
307.10120	6.5
309.03958	3.6
309.07507	9.7
310.04709	16.5
311.05490	75.4
312.06241	8.3
313.07065	11.8
321.07565	8.6
323.05505	50.8
324.06299	22.7
325.03403	3.8
325.06985	32.3
329.06537	3.8
333.07700	3.0
335.05408	12.4
335.09204	4.8
336.06235	6.2
337.07065	40.1
338.07855	13.1
339.08691	6.7
341.06543	75.2
345.07538	3.4
349.07053	25.2
351.08661	14.8
352.05560	3.0
353.06595	58.1
353.10748	3.6
361.06946	7.8
362.08047	3.9
363.08621	15.0
365.06555	43.5
367.08115	30.9
371.07547	9.8
373.06863	4.1
377.06567	23.5
379.08218	13.2
381.09637	8.1
383.07587	8.1
389.06473	9.8
391.08218	16.2
392.77460	2.8
395.07590	86.0
403.08026	7.1
405.09674	4.3
407.07574	34.9
409.09042	2.8
413.08694	40.9
419.07541	25.2
421.09125	9.4
425.08633	36.7
427.09586	3.9
431.09634	12.4
433.09222	4.2
437.08713	17.7
443.09775	35.3
445.08926	4.4
449.08704	15.3
455.09833	17.7
461.10767	28.7
467.09747	34.7
473.10760	43.6
479.09534	5.9
485.10782	50.3
491.09698	9.0
497.10782	34.0
509.10873	24.4
515.11688	25.8
527.11859	44.6
545.12952	49.7
563.13849	24.0
581.14838	7.0
581.30457	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	581.1501
Annotation	Lucenin 3
Peak:m/z	Relative Intensity
85.02922	4.5
85.08485	2.9
86.82599	2.9
105.30586	3.1
117.46892	3.3
119.33279	3.2
135.04433	10.6
137.02336	34.6
146.22630	3.2
161.02353	6.7
167.40912	3.3
175.03836	4.3
189.01894	5.3
191.03374	5.6
195.02870	6.9
203.03343	19.9
215.03375	6.6
217.04939	6.5
219.02827	3.6
271.05835	4.8
295.05872	3.4
297.04285	4.1
299.05392	4.5
300.06036	3.6
309.07492	5.2
310.04889	15.6
311.05484	76.3
312.06146	6.0
313.07156	8.4
323.05466	44.5
324.06271	17.5
325.06894	18.8
329.07092	4.4
333.07404	3.9
335.05508	5.5
336.06293	8.4
337.06995	37.4
339.08835	4.5
341.06561	57.7
349.06998	25.5
350.07974	6.2
351.08563	18.7
353.06540	49.6
361.07040	11.7
363.08582	8.0
365.06567	57.7
367.08200	20.9
371.07977	4.5
377.06366	24.9
379.08124	23.0
383.07645	6.5
389.06470	12.8
391.08044	12.5
395.07590	66.0
403.08215	6.5
407.07559	51.3
413.08578	4.6
419.07669	12.6
421.09048	5.7
425.08649	62.0
431.07919	13.8
433.09589	4.4
437.08643	9.1
443.09775	95.1
449.02997	5.7
449.08600	18.7
461.09113	10.1
467.09753	6.3
473.10376	13.0
479.09821	8.9
482.17612	3.7
485.10663	13.9
491.10825	7.2
497.10925	32.4
509.10559	14.7
513.22699	3.9
515.11951	25.3
527.11841	100.0
545.12946	59.7
563.13989	32.3
581.14838	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	581.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17433	2.2
55.01870	4.2
60.27371	2.0
61.02934	4.1
71.09037	2.3
81.03411	3.4
85.02891	4.5
107.04941	3.8
116.48857	2.0
121.02838	2.2
127.03976	2.3
131.04893	2.7
135.04442	7.8
137.02345	37.0
137.03375	3.9
161.02303	5.9
173.06047	3.0
175.03925	3.4
177.01909	5.2
189.01825	8.0
190.02560	2.1
191.03418	3.9
193.42593	1.9
195.02907	6.3
199.04010	3.0
201.01877	2.3
201.05435	2.1
203.03349	15.5
205.04950	2.4
207.02942	7.4
207.92520	1.9
213.05525	4.1
215.03380	6.1
217.04953	7.1
219.02881	4.1
221.04417	4.6
227.03453	4.3
229.04959	3.1
231.02849	4.0
233.04399	3.9
239.36748	2.2
243.02843	4.0
245.04489	5.3
267.06268	2.4
283.06079	4.8
284.06931	3.4
295.06039	5.2
297.07590	5.7
299.05472	4.7
300.06250	2.8
308.06918	2.4
309.07571	6.0
310.04727	13.2
310.07834	2.2
311.05472	75.0
311.09079	4.1
312.06079	5.2
313.07156	6.5
321.07706	3.0
322.08444	2.7
323.05518	39.9
323.09158	5.1
324.06015	12.3
325.07053	18.3
329.06717	4.2
333.07681	4.7
335.05466	7.8
336.06189	8.4
337.07056	45.8
338.07959	6.6
339.08719	5.3
341.06555	48.6
345.07501	4.5
349.07037	20.4
350.07596	3.8
351.04883	3.5
351.08621	21.7
352.05722	4.0
353.06543	40.4
355.08182	4.7
356.46280	2.0
361.07059	17.0
363.08575	9.0
365.06549	51.4
366.07141	4.3
367.08054	21.7
371.07596	5.3
377.06461	30.1
377.10367	3.7
379.08121	24.4
380.08688	2.6
383.07541	9.5
387.09003	3.0
389.06555	14.3
389.10733	2.9
391.08054	13.0
395.07614	54.6
401.08557	2.3
403.08038	7.0
405.09555	5.5
407.07614	48.8
413.08429	3.3
415.08167	2.5
417.09705	3.8
419.07629	16.2
421.09061	6.0
425.08676	59.8
425.14468	3.3
431.08066	11.1
433.09375	3.0
437.08594	6.9
443.09708	93.2
445.09277	3.4
449.08594	18.4
455.09766	6.4
461.09610	11.4
473.10562	11.7
479.09662	11.8
485.10818	4.9
491.11160	11.2
497.10779	43.5
509.10828	13.0
515.11847	44.1
527.11853	100.0
528.12018	5.1
545.12885	54.0
563.13837	29.5
581.14478	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69361	2.4
53.03945	3.6
55.01895	5.1
55.04304	2.7
55.05513	31.6
55.20530	2.9
57.07091	6.9
58.49994	2.4
59.05004	3.6
59.41846	2.6
59.93936	2.4
65.03940	3.6
66.66063	2.3
67.05508	26.5
69.03435	11.9
69.07061	15.5
71.04999	7.6
74.40434	2.7
77.03938	3.2
79.05489	19.8
81.07056	18.2
83.04983	11.9
83.08623	34.2
85.06559	3.7
87.04465	4.3
91.05486	32.4
93.07049	36.1
95.04980	17.1
95.08614	36.8
97.06528	40.4
99.08153	2.9
100.79955	2.7
103.05439	3.1
105.07027	66.2
107.08587	47.3
109.06506	5.2
109.10152	16.1
111.08115	7.4
113.09625	17.9
115.05430	6.6
117.06996	13.1
119.08594	46.9
121.06508	8.8
121.10135	26.1
123.08112	7.7
123.11659	3.8
125.09625	17.9
128.06215	13.3
129.07019	30.4
130.07799	6.3
131.08568	24.8
133.10136	18.6
135.11751	8.5
137.09599	4.5
139.11206	17.6
141.06996	8.7
142.07787	20.1
143.08556	38.9
144.09364	20.2
145.06482	3.4
145.10129	39.1
147.08067	3.9
147.11674	9.8
149.09703	3.2
153.07028	4.6
153.12782	6.5
154.07773	2.6
155.08607	15.6
155.10623	15.0
156.09367	17.2
157.10132	57.0
158.10860	4.6
159.08101	6.5
159.11697	19.9
161.09665	4.7
161.13286	4.3
161.47206	2.6
163.11235	3.8
165.07056	11.0
166.07693	4.0
167.08525	14.1
168.09399	5.4
169.10123	28.7
170.10931	6.6
171.11688	25.5
173.09706	6.8
173.13266	15.1
175.14803	3.5
178.07867	5.0
179.08539	18.2
179.14378	6.1
180.09412	13.7
181.10129	25.0
181.12248	19.4
182.10921	7.8
183.11708	27.4
185.09676	3.0
185.13243	21.1
187.14923	3.7
189.12781	5.1
192.09306	6.8
193.10121	14.0
194.10979	12.3
195.11702	32.8
195.13618	5.8
196.12517	6.0
197.13214	22.2
199.14882	9.6
199.16661	3.4
204.09424	2.9
205.10217	6.7
205.15900	4.3
206.10966	7.5
207.11644	22.7
208.12485	9.9
209.13242	33.4
209.15004	3.9
210.13977	2.9
211.14795	13.0
213.12830	4.2
215.14381	2.9
217.10158	7.4
217.15926	3.0
218.10818	4.8
219.11716	8.5
220.12498	7.0
221.13303	16.3
221.15436	9.7
222.14038	6.6
223.14749	13.2
225.16449	4.5
231.11844	5.8
232.12297	5.2
233.13293	10.3
235.14835	11.4
236.15550	6.0
237.16422	11.2
239.14372	3.0
243.11612	3.6
244.12663	3.1
245.13239	7.6
246.14095	4.9
247.14824	6.4
247.16977	10.2
249.16458	7.5
251.17932	21.0
255.17360	4.5
257.19031	3.7
258.14050	4.1
259.14865	8.9
261.16406	3.9
263.18033	6.9
265.19672	5.9
269.18979	26.1
271.14819	3.4
273.16299	6.8
273.18832	3.5
275.17889	3.1
277.19733	7.2
279.17645	3.9
281.18881	3.9
283.20676	3.3
285.18796	3.8
293.19174	4.7
295.20721	6.1
299.20251	16.2
301.19818	3.7
307.20703	7.4
311.05576	4.2
311.20297	6.3
312.20828	13.0
335.23724	6.6
353.26663	3.9
363.23260	4.1
373.25278	9.3
395.27402	5.2
413.28384	12.8
563.38837	25.1
581.39868	100.0
582.40533	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	582.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88831	4.1
55.05508	4.5
55.38705	4.2
58.66784	3.8
68.78973	3.6
69.03436	8.3
69.70091	14.0
70.06577	11.1
79.05476	4.3
80.22836	3.5
81.03406	10.5
81.07046	13.4
83.04960	7.8
83.75233	3.6
85.02901	26.8
91.05457	4.5
93.07040	12.1
95.04965	5.4
95.08622	3.7
97.02335	3.7
97.02905	15.1
98.23383	7.5
99.04436	51.7
103.03970	20.6
104.62025	4.7
105.07047	4.4
106.69470	3.8
107.08576	14.8
109.02871	8.6
109.06509	5.4
110.07156	6.0
121.10109	9.3
123.08088	4.5
125.09581	6.7
127.03908	39.0
129.99040	4.0
135.11697	6.6
145.04933	18.3
145.10132	6.3
149.06052	5.7
149.09610	13.7
159.11644	9.8
163.06000	13.2
163.11142	14.2
177.12735	8.5
181.12302	9.6
205.12286	25.4
223.13284	100.0
241.14400	20.2
250.84438	4.2
259.15482	24.7
308.48746	4.0
582.30920	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	582.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.7
56.80619	0.5
63.93396	0.5
68.05012	2.2
70.06574	2.1
70.34028	1.2
79.05487	1.4
80.04143	0.6
81.05793	0.7
81.07058	2.5
82.06574	8.0
84.08126	0.9
91.05450	0.8
93.07041	2.0
94.06560	1.1
95.07359	3.3
97.02850	0.5
100.22032	0.5
108.08112	10.2
110.09674	77.4
110.30927	0.5
111.09995	0.5
123.04431	1.2
128.10689	3.2
149.05997	0.6
150.84842	0.5
170.11752	100.0
171.12079	1.8
236.20166	0.8
283.51251	0.5
360.25443	0.7
420.27484	1.8
522.30786	1.6
582.32703	56.6
583.33026	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	582.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85034	1.7
55.01870	7.5
55.05524	14.5
55.05733	2.9
57.03450	10.7
67.05508	47.0
69.03441	2.7
69.07070	18.3
69.55473	8.8
70.06574	7.6
71.05003	3.1
72.08157	2.8
72.66158	2.1
79.05492	32.3
81.03410	3.5
81.07059	70.3
82.06590	2.5
83.04987	8.6
83.08607	12.1
84.08140	4.0
85.02907	11.7
85.06529	3.7
86.09699	3.2
91.05487	24.1
93.07053	43.1
95.04960	8.9
95.08611	28.1
97.02904	3.1
97.06536	11.1
97.10162	8.8
99.04456	3.2
99.08071	3.7
100.11297	2.0
105.03340	2.2
105.07042	17.2
107.04948	6.1
107.08600	28.0
109.02934	2.3
109.06504	4.3
109.10162	20.3
111.08071	5.4
112.49737	2.2
117.07031	10.4
119.08575	12.7
120.08119	3.2
121.06571	2.7
121.10142	17.0
123.08057	5.0
123.11719	5.8
125.09639	4.7
127.03863	2.3
129.07018	2.8
131.08583	17.1
133.10117	14.4
135.08067	2.7
135.11676	7.7
137.09616	4.4
145.02843	2.8
145.04921	2.2
145.10132	11.6
147.11705	7.0
149.09651	11.0
149.13243	16.6
157.10168	4.1
159.11714	22.4
161.13260	5.5
163.11137	5.8
163.14743	3.0
165.12738	4.7
171.11649	2.9
173.11719	3.4
173.13245	3.8
177.05527	4.2
177.12773	23.8
179.14322	6.9
187.14828	5.7
195.13837	6.6
197.13330	3.1
205.15895	5.4
223.16943	20.3
229.14380	16.3
238.40648	2.3
251.16467	5.3
257.19037	7.1
269.17493	100.0
275.20047	23.6
293.21100	4.1
347.09525	4.2
349.23767	63.7
360.25348	5.4
367.24756	53.9
408.68317	2.4
413.21637	5.2
420.27539	12.8
431.22809	6.5
452.40668	3.1
566.42151	3.2
582.36005	18.7
583.27173	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	582.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61468	2.3
55.01871	4.8
55.05513	13.3
57.03437	5.8
61.02928	3.9
65.03947	2.3
67.05508	47.4
69.03423	5.7
69.07079	16.3
69.57037	7.6
70.06591	3.8
71.05000	6.8
72.08158	2.8
78.69244	2.1
79.05489	28.7
81.03415	4.8
81.07058	62.6
83.04992	2.5
83.08613	11.4
84.08147	2.9
85.02914	8.3
85.06543	4.7
86.09721	2.5
91.05477	24.1
93.07051	36.2
94.10281	2.2
95.04985	7.8
95.08595	20.7
97.02898	4.9
97.06532	13.5
97.10159	3.7
99.04487	2.9
99.08105	2.9
103.03971	2.6
105.07030	19.2
105.70954	2.1
107.04964	6.4
107.08591	23.7
109.06551	5.2
109.10154	24.1
111.08091	5.1
117.06963	10.5
119.08569	17.8
121.06506	3.2
121.10162	10.9
123.08068	5.6
123.11732	5.2
125.09653	3.8
127.03925	4.0
130.16815	2.4
131.08545	14.9
133.10136	20.7
135.04150	2.2
135.08034	5.6
135.11664	10.4
137.09644	2.9
140.91164	3.5
141.06998	3.7
143.08556	3.8
145.04901	3.6
145.10127	10.1
147.11699	9.5
149.09650	7.8
149.13255	13.6
151.11203	2.8
155.10713	5.0
159.11691	18.1
161.13268	5.1
163.03934	6.2
163.11206	6.1
165.12776	3.1
169.10130	3.5
171.11687	2.9
173.11772	7.3
173.13248	4.5
177.05498	8.2
177.12727	21.4
179.14272	10.4
183.02153	2.4
187.14879	3.7
195.13721	4.4
205.15741	2.3
207.06512	3.2
227.12889	5.5
229.14330	42.9
239.17931	4.1
251.16440	5.7
257.19003	9.2
269.17484	100.0
275.20114	35.5
309.20432	2.9
313.38531	2.4
339.17993	3.3
347.09662	5.0
349.23724	70.8
349.27737	5.1
367.24860	40.7
368.25388	2.8
413.21609	4.4
420.27414	6.2
582.35913	16.0
583.26880	15.5
583.36768	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
65.03944	2.9
67.96735	1.8
68.99797	5.9
70.00105	3.9
70.06588	3.1
72.63682	1.5
81.03410	2.4
85.02900	5.4
91.69353	1.4
94.69170	1.3
97.02885	3.7
107.04986	5.0
109.02879	3.2
111.04450	3.8
119.04926	3.3
121.02861	100.0
123.04420	2.4
129.10280	1.4
130.20982	1.3
135.04443	6.2
139.03911	2.5
145.06520	1.9
147.04439	2.3
151.03902	2.7
153.01768	2.5
159.04405	1.8
162.25081	1.4
163.03883	22.7
165.01846	3.5
173.02332	1.5
173.06059	3.1
175.03888	3.4
177.01866	3.8
177.05441	4.4
181.04987	3.1
183.02934	1.7
187.03918	3.5
189.01849	2.4
189.05455	3.4
191.03383	4.5
193.05003	2.1
195.02928	4.7
197.06146	1.7
201.05446	3.2
203.03419	4.9
205.04909	9.4
207.02931	7.8
213.05463	2.6
215.03433	3.7
217.05011	9.5
219.02870	9.4
221.04494	1.9
223.02441	1.5
223.06047	2.3
225.03867	1.9
227.03358	2.3
229.04982	6.7
231.02878	12.6
233.04416	1.7
236.07632	1.9
241.05003	3.2
243.02902	7.3
245.04446	2.2
246.45392	1.6
247.06068	5.3
249.03966	6.6
253.04942	1.6
255.02826	2.2
255.06543	2.3
257.04541	1.9
259.06064	4.0
261.03967	15.3
265.07108	2.3
269.04254	2.6
271.06058	8.4
273.03973	6.5
279.05078	2.2
283.05884	3.2
285.03897	10.8
289.06927	2.7
291.04929	5.0
295.05942	8.9
297.03903	3.5
301.07108	2.9
307.05786	2.7
309.06097	5.4
313.07135	4.1
315.05023	11.8
321.07449	3.5
325.07028	3.1
327.04990	3.5
331.08035	3.3
333.06018	6.1
337.07123	2.6
339.07248	2.6
345.06192	5.0
349.06741	2.8
361.07132	2.7
363.07111	6.7
375.07135	4.9
379.08093	10.2
391.08078	4.4
393.08218	17.9
397.09229	4.4
409.08969	8.8
411.09238	16.7
415.09982	4.2
421.09140	2.3
427.10214	8.3
429.10458	3.5
433.09348	5.1
439.10516	1.9
445.10837	3.9
451.10410	3.5
457.10870	4.1
463.10382	4.1
469.11279	4.3
475.12216	2.9
481.11096	13.4
493.11401	3.7
499.12158	3.3
511.12384	9.4
529.13440	5.2
547.14252	5.9
565.15704	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	583.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73533	0.6
56.77779	0.7
61.44405	0.7
67.05501	1.0
75.30968	0.7
94.03276	0.9
101.43848	0.8
104.16422	0.7
104.49712	0.8
114.00986	0.8
124.88218	0.8
128.88260	0.7
135.56718	0.7
147.69237	0.7
182.32797	0.7
185.04205	1.0
201.83504	0.7
259.08090	1.0
332.03720	0.8
343.20660	0.8
384.94391	1.0
421.25497	2.4
427.19498	1.1
441.21161	1.3
499.21622	8.3
538.02655	0.8
583.30865	100.0
584.31024	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	583.3604
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
55.05504	1.8
57.03437	1.3
57.34958	0.7
62.70977	0.9
67.05499	6.1
69.07055	1.8
69.58585	0.7
69.88377	1.7
73.72551	0.8
79.02377	0.8
79.05042	1.1
79.05489	3.6
81.07055	4.7
91.05470	2.4
93.07047	3.6
95.08604	4.2
102.17113	0.7
107.08590	1.9
119.08620	1.5
121.10136	0.9
125.64146	0.8
131.08591	1.0
133.92221	0.8
135.11708	2.3
139.44762	1.0
144.13663	0.8
145.10170	1.0
146.81502	0.8
167.82300	0.9
180.33426	0.8
194.20851	0.7
204.24413	0.8
249.10959	14.7
264.10541	0.8
271.26825	0.8
305.13559	7.0
335.25763	1.2
583.35986	100.0
584.36401	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	583.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38732	0.5
55.05507	2.6
57.03433	1.3
63.40896	0.4
67.05503	9.8
69.07070	1.4
78.10962	0.4
79.05480	4.6
81.07051	8.3
83.08601	1.2
91.05497	1.9
93.07040	5.5
95.04936	0.7
95.08603	5.5
105.07038	1.3
107.08588	2.2
109.10155	2.0
109.51902	0.6
119.08587	1.3
121.10161	2.0
131.08589	0.7
135.11665	1.1
145.10057	0.8
147.11679	0.5
150.60805	0.4
163.11182	0.8
170.14447	0.6
188.48853	0.4
249.10971	37.2
250.11398	0.6
253.19408	0.5
275.48517	0.4
305.13605	4.1
327.27872	0.5
335.25757	1.3
394.74646	0.5
492.87173	0.5
576.33710	0.5
583.36011	100.0
584.36383	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.05504	19.9
57.07078	12.4
58.67688	1.8
59.05005	4.8
65.03951	4.0
67.05505	23.4
69.03445	7.3
69.07063	18.5
69.12183	14.1
77.03922	2.2
79.05495	24.1
81.07051	32.7
81.07495	2.3
83.04993	9.3
83.08624	10.4
85.06553	9.4
87.04498	1.9
91.05479	48.8
93.07042	62.7
93.07594	3.7
95.04976	14.7
95.08609	38.0
97.06554	6.0
102.29195	2.1
103.05465	3.6
105.04516	4.4
105.07030	75.9
106.42612	2.5
107.05074	2.0
107.08595	51.1
109.06498	10.9
109.10159	28.1
110.12096	1.9
111.08104	3.9
115.05466	5.9
116.06251	2.4
117.07022	15.8
119.08578	95.3
121.06545	6.4
121.10147	55.3
121.10979	3.8
123.08057	17.2
123.11754	6.2
125.05984	2.8
125.09665	3.1
128.06197	12.3
129.06993	17.8
130.07787	7.6
131.08572	36.3
133.06522	2.4
133.10123	44.1
135.08089	10.2
135.11684	15.4
137.05946	2.1
137.09650	8.7
139.11198	2.4
141.06969	9.9
142.07782	29.2
143.08571	48.2
143.09639	3.7
144.09326	5.8
144.20325	2.0
145.10127	57.7
145.11226	3.8
147.08035	15.8
147.11682	17.9
149.09663	6.4
149.13295	4.7
151.07530	16.1
151.11250	2.5
153.06998	7.9
154.07811	3.5
155.08539	21.2
156.09329	22.9
157.10132	63.8
158.10960	9.4
159.08083	3.6
159.11682	31.9
159.12906	2.3
161.09674	7.5
161.13268	7.5
163.11246	6.8
165.06996	9.5
165.09103	24.9
165.10161	2.3
166.07776	4.7
167.08533	15.2
167.10652	12.5
168.09312	10.4
169.10130	30.0
170.10921	9.9
171.11690	37.8
171.50705	2.1
173.09811	3.5
173.13246	27.1
175.11215	3.9
175.14903	7.6
179.08537	17.9
180.09387	6.3
181.10103	17.1
181.12259	5.7
182.10945	10.4
183.11676	32.4
184.12500	7.6
185.13243	21.2
187.11220	4.2
187.14893	7.7
189.12767	7.0
191.08556	3.1
191.14256	10.2
192.09383	5.6
193.10136	16.5
194.10907	13.6
195.11696	29.5
196.12529	7.8
197.13239	27.8
199.14818	19.0
201.16414	3.4
203.14297	13.1
205.10135	5.9
206.10913	9.6
207.11729	27.7
207.13850	7.4
208.12483	8.1
209.13251	31.4
210.14072	6.2
211.11351	2.3
211.14767	11.9
213.12837	2.8
213.16490	4.1
217.10196	5.0
217.15950	9.3
218.10884	2.9
219.11699	11.9
220.12460	7.7
221.13287	20.6
221.15430	50.4
222.13998	6.6
222.15910	3.2
223.14803	17.7
224.15643	2.6
225.16370	5.1
227.14296	3.9
229.10210	2.5
231.11795	8.3
231.17502	3.3
232.12483	3.9
233.13306	14.4
233.15482	5.6
234.14027	5.3
235.14864	14.0
236.15570	2.7
237.16438	10.7
239.18056	5.4
243.11758	2.9
245.13365	9.4
246.14151	5.7
247.14743	12.3
248.15523	3.3
249.16351	13.1
250.17238	2.7
251.17966	3.5
257.19098	7.7
258.13956	2.5
259.14871	8.5
260.15683	5.4
261.16290	11.9
262.17261	3.9
263.18079	8.1
265.19617	7.7
269.19070	2.6
271.14703	4.2
273.16504	6.3
275.17859	13.4
277.19565	4.8
279.17712	2.1
283.20532	16.2
285.16373	4.4
287.20364	3.7
289.19513	4.2
291.21100	3.7
295.20609	4.7
301.19733	2.4
307.20468	2.6
331.24277	7.9
349.25473	8.7
353.22495	2.7
357.25903	2.9
375.27008	5.4
403.30054	6.1
443.29776	2.2
491.35223	6.4
503.35632	3.0
547.39459	3.6
565.40436	23.7
583.41479	100.0
584.42096	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	584.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01878	2.4
55.05512	6.1
56.05033	2.5
57.03428	3.5
61.02916	4.9
65.03950	1.6
67.05502	8.8
68.05024	1.6
69.03437	14.2
69.07076	1.8
69.14479	1.2
69.55811	5.2
70.06593	22.6
71.05003	4.7
72.08160	3.5
73.02923	2.8
79.05495	19.4
81.03436	5.3
81.07061	13.7
82.06583	2.5
83.04995	4.6
84.04519	2.4
84.08161	4.9
85.02906	32.0
86.09718	5.5
87.04467	2.2
91.05487	7.9
93.07066	8.0
94.06601	1.5
95.04974	7.0
95.08615	4.7
96.08125	10.1
97.02899	12.4
97.06551	7.0
97.08919	1.9
98.09726	4.9
99.04465	9.5
100.42783	1.6
103.03944	3.6
105.07020	8.1
105.77141	1.4
107.04956	18.5
107.08614	3.3
109.02891	3.5
109.06546	4.7
109.10150	24.3
110.07214	2.6
110.09696	3.2
111.04462	1.9
117.07037	2.0
119.08591	11.0
120.08119	1.5
121.06515	3.2
121.10143	2.4
122.09678	3.2
123.04441	14.9
123.08109	2.4
125.06033	3.5
127.03913	12.5
128.06261	3.7
129.07031	2.9
129.10277	2.1
131.08586	2.1
133.10124	9.0
135.08157	1.5
136.07556	2.6
136.11238	6.9
137.02380	2.0
137.05983	2.8
137.09613	50.3
138.12779	2.2
142.12247	1.4
143.07112	1.5
143.07483	1.8
143.08543	11.4
145.04987	9.6
145.06494	2.0
145.10175	3.7
147.04446	2.0
147.08055	22.0
147.15739	1.5
149.06015	8.7
154.12242	8.9
161.09618	96.3
163.06071	7.5
163.07544	4.3
163.11209	3.0
165.09119	87.5
166.09482	1.5
171.11703	2.4
179.10678	8.8
189.09099	13.1
189.12773	2.8
193.08855	1.5
197.11862	1.8
207.10159	93.3
208.10501	2.4
210.14891	2.9
214.14433	5.2
225.11212	86.3
225.14581	9.2
228.13457	1.6
233.66478	1.7
243.12341	6.5
307.10303	2.8
311.05182	2.4
312.05920	4.0
314.06516	3.0
324.06152	2.2
326.06824	2.2
326.21231	4.3
338.07242	2.0
342.07050	2.5
344.22113	18.3
352.09027	1.8
354.06766	1.9
362.23267	36.8
366.06711	1.8
380.08252	1.5
396.08188	3.1
398.08554	2.6
404.24451	3.5
410.08426	1.9
422.25427	26.0
428.09488	3.4
444.10532	1.9
446.10498	3.0
455.09003	1.6
464.11496	2.0
476.11722	2.1
488.11417	3.2
500.11484	1.9
518.13000	2.1
524.28436	8.2
530.12561	4.3
548.14014	5.5
566.14825	1.6
566.29803	7.3
584.30701	100.0
585.21509	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	584.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	0.8
55.05510	1.8
56.05056	0.4
57.03437	2.5
58.06614	0.9
61.02923	2.7
64.56052	0.4
66.12117	0.4
67.05511	2.8
69.03427	8.5
69.07071	2.0
69.87363	1.1
70.06593	16.6
71.01363	0.5
71.04999	1.6
71.84872	0.4
72.08129	1.0
73.02918	2.3
74.06049	0.5
79.05492	4.9
80.53347	0.5
81.03411	2.7
81.07050	3.2
82.06586	2.7
83.04989	0.7
83.07360	0.9
84.04510	0.6
84.08152	2.3
85.02903	11.6
85.08478	0.4
86.09708	3.3
87.04473	1.5
91.03951	0.6
91.05489	1.8
93.07053	2.3
94.06561	1.5
95.04984	1.3
95.08595	2.0
96.08132	10.7
97.02898	5.1
97.06533	1.4
97.08922	2.7
98.09702	3.1
98.22694	0.4
98.45068	0.3
99.04475	2.0
102.05547	0.5
103.03952	0.5
105.04512	0.3
105.07028	2.3
107.04941	3.0
107.08620	1.5
108.08128	1.1
109.02897	1.9
109.06531	0.8
109.10163	3.1
110.07179	1.2
110.09684	5.5
111.10509	0.4
117.07052	0.7
119.08590	1.5
120.08105	1.3
121.06532	1.3
121.10192	0.9
122.09675	3.3
123.04430	17.5
123.08074	0.9
123.96221	0.4
124.11236	2.6
125.06039	0.6
127.03928	2.6
129.06976	0.6
129.10263	1.0
131.08542	0.6
133.06517	1.2
133.10147	1.5
135.04416	0.5
135.08047	0.7
136.07564	1.9
136.11209	4.4
137.02345	0.4
137.05991	0.4
137.09601	4.2
137.11977	0.7
138.12752	3.0
143.08603	1.2
145.04982	1.0
147.04411	1.5
147.08022	2.2
147.11842	0.4
148.11243	0.7
149.05972	6.9
149.09619	0.6
150.12712	0.4
152.14374	1.2
154.12299	1.5
157.13438	0.5
161.05998	1.1
161.09612	7.0
163.06184	0.7
163.07578	3.2
165.09125	7.2
165.19072	0.5
166.12276	1.0
168.13782	2.5
172.25951	0.4
173.05920	0.5
175.07544	0.7
177.09178	0.8
179.10670	0.8
182.08195	0.5
184.17142	0.4
185.12975	0.6
187.07640	1.2
189.01822	0.5
189.09109	2.0
193.08635	0.8
197.14195	1.1
207.10153	8.9
210.14941	1.9
211.93982	0.4
214.14445	0.9
218.08783	0.4
225.11214	7.2
225.14796	0.7
238.17996	0.7
243.12280	0.5
261.80756	0.4
287.16541	0.4
306.46667	0.4
311.05670	0.6
316.22794	0.4
325.06558	0.5
326.06824	0.5
326.21088	3.9
340.08212	0.5
344.22202	22.9
345.22549	0.9
362.23248	47.5
363.23724	0.8
369.15521	1.5
373.87900	0.4
386.23395	0.7
398.08539	0.9
404.24417	2.6
422.25357	24.8
423.25708	1.0
470.10538	0.4
488.11880	0.8
500.11118	0.4
524.28510	7.8
530.12885	0.5
566.15118	0.6
566.29456	2.4
584.30652	100.0
585.20319	1.9
585.31006	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	584.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18988	0.3
53.03958	0.4
55.01876	0.6
55.05503	0.9
56.05024	1.1
56.40880	0.4
57.03439	1.9
58.06604	3.0
61.02924	1.5
61.42054	0.3
66.92049	0.3
67.05498	2.0
68.05026	0.7
69.03427	4.7
69.07031	0.4
69.48653	1.7
70.06596	3.8
71.04986	0.4
71.06346	0.4
71.07324	0.5
72.08158	1.8
73.02915	1.2
74.06081	3.4
77.65770	0.4
79.05500	1.1
81.03421	1.1
81.05806	0.4
81.07066	1.8
82.06577	2.4
84.08148	3.3
85.02902	6.7
85.06502	0.4
86.06078	1.5
86.09697	3.1
87.04462	1.7
91.03964	0.5
91.05489	0.6
93.07092	0.8
94.06590	1.3
95.04974	0.8
95.08604	1.0
96.08136	2.9
97.02896	2.4
97.06448	0.4
98.09663	0.7
99.04453	0.9
100.07623	0.8
105.07048	0.6
106.53582	0.3
107.04949	0.4
107.08588	0.7
108.08112	3.5
109.02901	0.9
109.08887	1.9
109.10156	0.5
110.09690	4.7
112.07616	0.7
114.09162	2.6
116.07085	0.8
121.10115	0.5
122.09676	2.1
123.04432	10.6
123.10431	0.5
124.11227	0.5
126.09144	2.0
127.03940	1.3
128.10728	1.6
129.10254	0.8
135.11723	0.4
135.80437	0.4
136.11246	1.2
137.05933	0.6
138.12770	0.4
142.08577	0.3
147.04359	0.4
149.05904	0.7
151.07610	0.5
154.12202	0.4
155.08133	0.5
163.07590	0.7
186.11246	2.9
220.20618	3.0
227.17755	0.4
238.21758	1.9
278.21231	1.0
292.22733	2.7
318.24149	1.0
342.24252	0.5
344.21725	0.6
344.25848	11.2
344.29907	0.7
345.26123	0.5
348.25247	1.8
362.26901	9.5
380.27954	0.7
404.27878	2.0
422.29007	10.4
423.29501	0.4
450.49521	0.4
454.28046	2.0
480.29642	0.9
506.31049	9.2
524.32135	5.6
525.32764	0.6
566.33203	2.1
584.34283	100.0
585.25311	0.4
585.34540	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	584.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01856	0.7
55.05497	0.9
56.05028	1.3
57.03434	1.7
58.06586	1.0
59.04994	0.3
61.02931	1.5
65.03916	0.7
67.05500	2.4
68.05021	0.7
69.03433	4.4
69.07058	0.6
69.31626	1.6
70.06590	8.2
70.67606	0.3
71.04987	0.5
72.04520	0.4
72.08156	2.1
73.02916	1.6
74.06078	5.9
79.05494	1.9
80.05016	0.3
81.03429	1.8
81.07070	1.6
82.06577	2.9
83.07366	0.5
83.08627	0.4
84.04487	0.8
84.08143	5.0
85.02902	5.8
86.06067	1.0
86.09701	3.6
87.04473	1.3
88.07609	0.4
90.45972	0.4
91.03950	0.4
91.05485	0.7
93.07030	1.1
94.06575	0.6
95.05001	0.7
95.07358	0.5
95.08603	1.5
96.08131	4.9
97.02895	2.6
97.08894	0.5
98.09690	1.0
99.04464	0.5
100.07616	1.3
103.03962	0.6
107.04958	0.6
107.08587	0.9
108.08121	2.5
109.02886	1.1
109.06529	0.5
109.08897	1.0
109.10154	0.4
110.09673	3.6
112.07593	0.7
114.09180	1.7
120.08110	1.2
121.10149	0.5
122.09681	1.5
123.04430	13.5
124.11277	0.5
125.84428	0.4
126.09155	4.7
127.03917	1.3
127.09950	0.6
128.10721	2.1
129.10251	1.1
133.10121	0.5
136.07584	0.5
136.11154	0.5
137.05994	1.1
140.10707	0.6
144.73943	0.4
147.04446	0.4
149.05984	0.7
160.92856	0.3
163.07588	0.6
166.15967	0.4
177.05446	0.3
186.11243	2.1
194.19035	0.9
199.18137	0.5
220.20564	2.6
228.45078	0.4
238.21658	2.8
249.11185	0.6
278.21173	3.0
284.26675	0.3
291.24173	0.3
292.22861	0.8
298.23782	0.6
318.24301	8.3
330.24414	0.9
332.25995	0.7
342.24353	0.4
344.25830	8.1
348.25418	0.9
360.25317	0.5
362.26889	14.5
363.27258	0.6
380.28049	1.1
386.27106	0.5
390.26419	2.5
404.28079	1.3
422.29086	12.6
475.77505	0.5
480.22772	0.3
480.29489	6.7
506.31161	4.1
507.31027	0.4
524.32178	8.8
566.33075	1.3
584.34283	100.0
585.26270	0.6
585.34753	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	584.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.6
53.29167	0.5
55.05472	0.9
56.05003	1.0
57.03402	0.8
58.06550	1.3
61.02872	1.4
67.05511	2.5
68.04993	0.9
69.03371	3.2
69.07037	0.5
69.20479	0.4
70.06594	13.9
70.06940	0.7
72.08124	0.8
73.02857	1.6
79.01440	0.5
79.05444	1.3
81.03345	1.6
81.07057	2.6
82.06573	5.0
83.07298	0.7
84.08105	1.2
85.02905	6.2
86.09649	1.7
87.04417	2.0
91.03933	0.7
93.07001	0.7
95.08591	3.3
96.08134	15.1
97.02906	2.4
97.06488	0.9
97.08917	10.3
98.09720	2.6
99.04407	0.6
100.07884	0.4
107.04848	0.5
109.02829	1.1
109.10139	1.0
110.09683	16.4
110.10416	0.6
111.10394	1.9
111.53653	0.5
112.56768	0.4
116.59347	0.4
120.08058	0.5
123.04371	0.9
124.11244	2.9
125.05915	1.4
127.03848	1.3
129.10205	0.6
132.25583	0.5
137.05965	1.1
138.12787	2.5
139.03842	1.4
145.04843	0.5
147.04399	0.5
152.14281	2.0
153.05466	21.4
156.10130	0.5
163.03850	0.5
163.07553	0.5
166.15877	1.0
167.06966	1.5
180.17343	1.0
193.08542	0.6
194.18968	1.7
208.18713	0.9
208.20605	16.7
209.21220	1.0
290.24884	1.0
294.20688	0.6
318.24133	0.8
344.25818	1.1
346.23767	8.6
347.24518	4.6
353.10986	0.5
360.25418	1.3
361.26129	3.3
362.26883	85.2
363.27240	3.2
404.27982	1.8
422.29010	16.1
423.29559	0.5
435.95148	0.6
449.96011	0.5
524.32166	19.6
525.32477	1.0
584.34338	100.0
585.26337	0.4
585.34784	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	585.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01087	0.3
60.21606	0.3
64.73302	0.3
67.05495	0.3
70.06596	1.2
70.69326	0.7
78.50220	0.3
81.07086	0.5
83.01103	0.4
84.01887	0.6
85.02916	0.6
86.09714	1.2
91.05475	0.3
95.08665	0.4
98.89964	0.3
103.03985	0.4
105.07044	0.4
123.90488	0.3
127.03924	0.6
133.10236	0.4
139.03642	0.3
143.29953	0.4
145.04982	0.4
145.10194	0.3
156.03979	0.5
170.11864	0.5
184.03407	0.4
185.04218	0.8
201.03732	1.2
202.58842	0.4
203.05298	1.1
244.25255	0.3
259.07794	1.6
279.15805	0.5
307.16006	0.3
331.09833	1.8
349.20053	0.4
359.13306	0.4
373.14886	0.5
378.43768	0.3
387.16367	0.9
401.17606	0.7
423.23611	2.3
457.20447	0.5
469.20502	0.7
471.21829	0.7
487.21460	0.4
515.21106	1.1
567.28058	0.4
585.28882	100.0
586.29364	4.3
596.48218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28786	0.2
70.06593	0.6
71.21639	0.2
72.08173	0.3
81.07086	0.3
81.60123	0.2
84.08191	0.2
85.02922	0.4
86.09715	0.5
95.04994	0.4
95.08643	0.4
96.01871	0.3
98.22623	0.5
105.07022	0.3
127.03944	0.2
154.73944	0.3
157.04817	0.4
169.72412	0.3
184.03435	0.4
185.04198	1.9
186.04953	0.3
201.03795	0.9
203.05252	0.3
259.07956	1.0
263.44751	0.3
275.07404	0.5
331.09988	2.4
345.11700	0.4
347.09381	0.3
373.14893	0.4
387.16385	0.8
401.17999	0.7
423.23703	2.3
457.20428	1.1
461.19470	0.5
469.20642	0.4
471.21799	1.2
487.21384	0.5
497.23605	0.5
505.27573	1.3
507.26163	0.3
515.21155	0.8
523.28888	0.8
525.26880	0.4
549.27209	0.4
567.27734	3.5
585.28790	100.0
586.29266	4.7
586.37982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3253
Annotation	Caracurine V
Peak:m/z	Relative Intensity
55.05515	2.4
55.34534	0.3
56.05024	0.6
57.05821	0.5
58.06591	0.4
60.21291	0.4
69.03421	1.0
69.07095	0.5
69.34193	1.2
70.06591	100.0
71.06923	0.8
72.08155	30.3
73.08485	0.4
81.03418	0.3
81.07059	1.2
82.06580	0.3
82.82249	0.3
84.04491	3.8
84.08143	2.6
85.02893	1.4
86.09707	1.5
91.05477	0.3
95.08630	0.5
97.02880	0.7
98.09692	1.7
98.23444	0.5
99.04418	0.4
100.07619	0.6
102.03735	0.3
102.05544	6.5
102.09180	5.6
110.06023	1.0
110.07175	0.4
110.88414	0.3
115.08680	0.5
116.07085	2.4
120.08109	0.4
121.06536	0.3
123.04426	1.2
123.11691	0.9
127.03916	0.6
128.07082	0.7
129.10231	0.9
136.07568	0.4
138.09058	0.3
142.12248	0.8
143.11717	0.5
145.04970	0.6
149.05956	1.1
153.10222	0.9
155.08153	6.1
163.07578	0.6
169.13356	44.6
170.13718	0.5
173.09222	11.3
183.07655	3.8
184.17041	0.3
187.07481	0.4
189.09070	0.3
189.12343	4.8
197.12856	27.5
201.08690	8.9
202.10767	1.0
215.13786	0.3
227.10321	0.5
254.15054	1.1
268.16483	0.5
282.14499	1.0
286.17609	84.0
287.17889	2.5
293.11612	0.5
296.16373	0.6
296.19592	0.6
300.15463	3.2
326.17099	0.8
343.61581	0.3
354.20096	0.7
379.19662	0.4
385.24252	2.5
388.24869	0.4
397.21014	2.1
406.25644	0.6
423.25757	0.7
425.53180	0.3
450.26996	0.4
478.26654	0.5
496.27640	1.5
523.21442	0.9
525.19257	0.4
567.30286	0.5
568.31128	4.4
585.21185	9.7
585.30664	3.8
585.37439	2.8
586.22064	0.6
586.31793	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	585.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14591	0.2
55.05532	0.3
56.05035	1.2
57.03428	0.3
58.06586	0.9
58.72765	0.3
63.25774	0.3
67.05501	0.3
67.70434	0.3
69.07064	4.8
70.06589	100.0
71.06921	0.9
72.08141	0.7
73.82892	0.3
74.06077	8.7
79.88196	0.3
81.03452	0.3
84.04507	1.0
84.08146	0.8
85.02904	0.4
86.06071	0.3
86.09703	51.4
87.10033	0.6
96.13393	0.3
101.07141	0.7
102.05558	0.4
109.07642	0.4
113.21828	0.3
115.08695	3.8
116.07072	0.9
120.08109	0.9
123.04424	5.7
126.09154	1.6
127.03920	0.4
129.06544	0.3
129.10219	0.5
130.05032	0.4
132.10190	3.9
133.06487	0.3
139.03922	0.3
142.12248	0.3
143.08121	3.0
143.11778	0.4
146.36084	0.3
147.04416	0.5
149.06099	0.3
153.10228	0.7
163.03889	0.8
164.09604	0.3
165.05527	0.9
169.09689	0.6
169.13374	0.6
171.11278	15.0
178.65550	0.2
181.09718	2.5
187.14397	2.7
197.12936	1.4
199.10771	18.8
200.11005	0.3
205.04950	0.4
210.16037	0.4
211.14430	1.4
215.13867	1.5
217.05034	0.6
217.11864	1.1
229.05211	0.3
233.14951	10.4
238.15405	0.3
243.13483	1.2
247.05873	0.3
252.13428	0.3
256.16547	3.0
271.06088	0.3
294.18118	0.7
297.43491	0.4
310.17468	0.4
312.19159	5.9
313.19891	0.3
330.20206	69.4
331.20505	1.6
341.18472	0.3
353.21924	0.7
381.08600	0.3
417.11575	0.5
423.10474	0.5
425.27930	0.3
435.10593	0.4
436.25430	0.6
443.28699	3.2
447.12857	0.4
453.11804	0.3
454.26889	0.6
465.11890	0.3
483.12430	0.4
488.72098	0.3
513.13837	0.4
585.19812	2.0
585.34985	1.1
586.32013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42253	0.8
55.05504	1.7
67.05508	2.5
79.05482	0.9
80.30605	0.7
81.07079	1.7
83.08628	0.9
89.06079	1.1
93.07066	1.5
95.08633	1.2
97.52821	0.7
101.30728	0.7
105.07068	0.7
107.08589	1.9
117.82684	0.8
119.08620	1.3
121.10152	0.8
122.89242	0.8
161.18297	0.7
162.90556	0.7
167.32147	0.7
198.08415	0.7
251.12555	4.6
275.20117	1.5
293.21021	1.8
307.15143	3.1
524.82953	0.7
584.56335	1.0
585.37585	100.0
586.38086	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	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01868	2.2
57.03450	0.7
64.88797	0.5
65.03943	2.8
65.55823	0.5
67.05496	0.8
69.03410	0.6
70.06585	1.5
70.88231	0.5
70.88565	0.5
72.08145	1.5
75.04478	2.6
76.86762	0.6
78.04693	3.0
79.05489	2.0
79.54099	0.5
81.03448	0.6
85.02923	4.5
89.03899	0.9
89.06008	0.9
91.05479	10.9
93.03407	10.7
93.07045	5.2
95.04969	5.7
97.02883	0.7
97.06506	2.4
98.09722	0.8
98.22298	0.7
102.09180	1.3
103.05464	6.2
105.03391	0.6
105.04546	1.2
105.07016	4.0
106.04173	27.9
107.04958	1.2
108.05746	0.7
109.06541	1.2
117.03398	0.7
117.06844	0.6
118.04144	1.2
119.04942	2.4
121.06505	29.6
123.04436	0.8
123.08108	0.7
124.05203	1.0
125.05971	7.9
125.68038	0.6
131.04965	3.0
133.02858	4.4
133.06499	3.9
134.03651	3.0
135.04366	0.9
137.05972	5.7
138.06737	0.9
139.07526	2.5
139.19136	0.6
139.64745	0.5
145.02826	0.6
147.04396	1.8
148.05180	3.0
149.05978	44.2
151.07515	2.4
152.08298	0.9
153.05476	1.4
153.09106	10.2
158.61134	0.6
161.05984	7.6
163.07594	2.9
165.05438	2.2
166.06287	1.2
177.03931	1.2
177.05463	20.6
179.07054	1.6
181.06975	0.8
181.08594	18.8
191.07013	13.4
193.08604	6.9
209.08084	100.0
210.08418	1.5
339.12183	1.0
341.13623	1.3
359.14667	0.8
550.30048	0.7
551.11499	0.9
569.12750	6.3
586.32318	1.7
587.13690	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	586.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98296	0.5
55.01867	2.7
55.05516	4.4
57.03429	1.6
57.07074	2.4
61.02914	1.4
67.05517	3.5
67.05838	0.6
69.03439	3.8
69.06705	1.0
69.07066	12.5
70.06593	5.8
71.04986	2.8
71.06919	0.9
71.08627	4.2
72.08139	1.8
72.11483	0.7
73.02920	2.9
75.19151	0.6
79.05478	2.2
81.03402	1.3
81.07059	17.6
82.06634	0.6
83.04969	1.7
83.08613	4.4
83.79015	0.5
84.04488	0.6
84.08137	1.5
85.02401	1.4
85.02901	20.5
85.06544	5.1
85.10196	1.5
86.09710	3.5
87.04432	0.6
91.05488	1.6
93.07040	2.1
95.04967	1.1
95.08609	5.6
96.08115	1.5
97.02877	3.0
97.06533	1.5
97.08409	0.6
97.08968	1.2
97.10193	0.9
98.09678	1.3
99.04449	4.7
101.02394	6.2
101.03003	0.9
103.03925	0.6
105.07031	6.3
107.08610	5.8
109.02869	1.4
109.06506	4.6
110.09682	2.0
111.08099	1.7
111.10033	0.9
113.06016	2.5
115.07600	1.3
119.08599	4.1
119.33241	0.6
120.08060	0.8
121.10146	8.1
123.08052	4.2
123.11708	23.5
127.03910	2.4
127.07557	6.2
137.05965	1.2
137.13257	2.1
141.09090	2.3
145.04941	2.3
147.11690	27.6
153.05496	1.6
154.05820	0.8
155.14296	6.6
156.13770	0.9
163.06007	1.2
165.12767	17.4
167.07030	0.7
183.13802	64.4
184.14095	1.3
201.14854	100.0
202.15161	1.4
208.20537	1.3
209.20834	0.9
213.12315	1.5
227.16449	0.9
245.17528	1.0
327.18170	0.9
345.19022	4.9
362.26840	3.0
363.27185	4.3
364.27545	5.5
389.21545	2.4
406.29807	0.7
424.29605	1.8
525.32477	0.8
526.32855	3.1
568.34503	1.4
569.12213	0.7
585.35004	1.4
586.26343	4.0
586.34650	15.6
587.13281	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	586.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01863	2.4
55.05504	2.4
56.05029	3.9
56.96556	1.2
57.03226	0.7
57.03442	9.2
58.06587	0.9
60.02173	0.8
61.02919	4.7
67.05485	3.6
69.03435	15.3
69.07079	4.3
70.06235	1.3
70.06596	20.6
71.01357	1.0
71.04982	2.8
71.06918	2.2
71.43397	1.0
72.04524	2.0
72.08158	23.1
73.02924	4.4
74.06073	1.0
79.05496	7.5
81.03429	7.0
81.07067	5.4
83.04974	1.3
83.06116	0.9
84.04502	2.9
84.08142	12.0
85.02905	23.2
85.08931	1.8
86.09720	6.2
87.04471	2.4
91.05479	3.6
93.07059	4.5
95.04966	3.8
95.08614	3.8
96.08118	1.5
97.02900	8.0
97.06538	8.0
98.09696	40.4
99.04440	2.2
99.08099	5.9
101.02401	1.1
105.04504	0.9
105.07004	2.2
107.04959	2.1
107.08582	1.8
109.02866	4.2
109.06519	1.1
110.07158	3.2
110.09664	1.1
113.09634	0.9
117.07013	0.9
119.04903	0.9
119.08533	1.2
120.08076	2.3
121.06501	3.3
123.04433	19.0
123.08064	1.3
124.11261	2.1
127.03928	4.2
129.10226	10.7
131.08580	1.5
135.04462	1.5
135.08034	2.2
136.07521	1.4
136.11172	0.9
137.05930	1.9
137.09663	1.0
142.12271	20.8
142.26602	0.8
145.04964	1.2
145.06578	1.3
147.04439	5.3
147.08009	0.8
149.05978	18.8
155.08212	0.8
156.13831	1.5
159.08052	1.1
161.05998	2.9
161.09573	1.3
163.07547	13.0
165.09079	1.4
169.13301	1.9
173.05948	1.9
173.09312	1.1
175.07524	3.4
177.09140	2.7
184.17039	1.7
186.14883	4.4
187.07535	10.8
189.09102	2.5
193.08620	2.5
198.13261	1.0
198.14914	1.2
201.08864	1.1
202.45078	0.8
203.10640	0.8
208.31714	0.8
213.09148	1.0
215.10670	1.1
216.15977	13.8
217.08524	1.1
218.83577	0.8
233.11725	1.3
240.13489	1.6
249.11322	1.2
271.13190	2.3
286.17645	2.2
287.17957	2.5
303.08493	1.0
325.18127	1.7
328.22775	1.2
343.19550	1.0
346.23672	2.0
388.24731	9.8
406.25919	16.7
424.26797	6.3
485.20325	1.0
525.23389	2.5
550.30078	27.0
551.30206	1.3
568.31207	87.1
569.12970	1.8
569.31622	5.4
586.22058	11.6
586.31989	100.0
587.13867	3.7
587.22827	24.6
587.32471	7.1
597.41376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47964	0.4
55.05506	1.7
57.07078	33.2
59.05005	0.6
69.07065	2.3
71.08633	23.9
73.06560	7.5
73.88328	0.5
83.08619	1.8
84.96664	0.5
85.10184	19.4
87.04469	6.0
89.06033	100.0
90.06362	0.9
97.10171	3.2
98.23496	1.2
99.11739	3.7
107.07051	1.4
113.13290	1.7
117.09146	6.8
130.08638	2.2
131.07053	2.1
133.08606	50.4
135.10173	0.7
155.17935	3.7
161.11711	1.8
175.09695	0.9
177.11230	22.8
181.13182	0.5
199.20567	4.6
221.13826	4.3
239.14973	1.2
240.23235	1.2
241.50305	0.5
243.23199	11.2
265.16464	1.7
271.20352	0.5
283.17535	1.9
287.25809	7.4
292.54153	0.5
309.19067	0.5
327.20221	1.3
371.22592	1.4
415.25354	4.2
481.37531	1.3
525.40295	1.1
569.12994	0.7
569.34595	0.6
569.42511	10.7
586.45306	3.3
587.13574	1.4
587.35815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1375
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
56.31129	1.9
70.06603	5.9
70.81075	2.3
72.08158	4.1
77.34315	2.1
84.08138	2.2
86.09711	3.4
129.10292	2.3
131.05092	1.9
147.51418	1.9
149.05824	2.4
149.37505	1.9
189.76868	2.1
365.05286	2.0
401.06458	3.0
407.07156	3.2
425.08148	2.0
437.07916	5.3
449.08469	4.3
479.09616	9.1
497.10349	14.5
509.10773	4.4
527.11627	7.8
533.10779	3.5
551.11676	13.6
569.12677	91.9
570.13165	3.1
587.13800	100.0
587.22644	11.7
588.13800	2.6
595.43182	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	587.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
56.05033	0.4
57.03461	0.3
61.94594	0.3
62.34841	0.3
62.86326	0.3
66.60220	0.3
67.05510	0.7
68.60022	0.3
69.03432	0.8
70.06592	6.7
70.72488	0.5
71.06926	0.6
72.08159	3.1
77.46626	0.3
81.07059	0.5
82.06565	0.4
83.77187	0.3
84.04498	1.2
84.08141	3.0
85.02927	1.2
86.09704	3.7
87.04467	0.4
91.05470	0.6
93.07038	0.4
95.08617	0.3
96.08117	1.5
97.02897	0.6
98.06105	0.3
98.09713	0.7
101.07131	0.3
102.05533	0.4
109.10156	0.3
110.07192	0.7
110.09670	0.5
112.08773	0.5
123.04420	2.1
124.04736	0.5
129.10226	3.0
130.48798	0.3
136.07581	0.6
143.03224	0.4
143.11774	0.3
149.05995	0.5
154.12238	0.5
162.98413	0.3
163.07494	0.3
169.13382	0.3
175.11920	0.3
218.05214	0.3
222.18501	0.3
222.28856	0.4
305.04285	0.9
317.04218	1.0
319.05981	0.4
328.22696	1.1
329.23145	0.4
331.05719	0.4
346.23779	3.0
347.05130	0.6
347.24295	0.9
359.05557	0.5
364.24777	1.2
377.06088	1.8
383.05933	0.6
385.07660	0.4
401.06332	1.4
406.26050	0.3
407.07162	0.8
419.07358	0.7
424.26807	1.1
425.08167	0.4
425.27191	0.5
431.07443	0.9
437.08463	1.4
449.08310	0.9
461.08389	1.0
467.09500	3.0
473.08755	0.5
479.09311	2.7
485.08752	0.5
491.09247	0.7
497.10535	8.5
503.09702	0.5
509.10730	2.9
521.10529	0.9
527.11646	4.0
533.10211	1.7
551.11530	5.4
568.30750	0.4
569.12665	38.3
570.12897	1.0
586.32056	8.5
587.13666	100.0
587.31927	6.1
588.13959	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
56.71355	0.3
57.54546	0.4
70.06589	1.5
70.30975	0.6
70.31308	0.3
74.21347	0.3
81.07069	0.4
82.22974	0.3
83.04977	0.4
84.08146	0.4
85.02901	0.4
86.09726	0.9
91.05492	0.3
93.07056	0.4
100.11265	0.6
100.34872	0.3
108.43557	0.3
110.07177	0.3
120.08182	0.3
127.03992	0.4
151.06467	0.3
166.05200	0.3
201.03712	0.3
203.05293	1.2
259.07901	1.3
331.10077	0.4
351.21320	0.3
425.20493	0.5
425.25946	1.7
431.18979	0.6
489.23407	0.4
517.22705	1.0
551.12445	0.4
569.12714	0.8
586.40387	0.8
586.91174	1.4
587.30377	100.0
588.30688	4.3
588.40887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3042
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
54.34091	0.2
55.05496	0.3
70.03331	0.2
70.06595	0.4
70.67648	0.3
72.08166	0.2
83.08578	0.2
84.08120	0.2
86.09696	0.3
93.47119	0.2
108.42200	0.2
110.37961	0.2
126.39688	0.2
139.91800	0.2
173.26103	0.2
175.01495	0.2
182.53542	0.2
185.04210	0.4
259.07898	0.3
261.81766	0.2
355.17087	0.3
407.24411	0.3
409.25766	0.2
425.25125	2.5
431.18918	0.3
489.22760	0.9
517.22504	1.2
569.12836	0.6
569.29272	0.3
587.30359	100.0
588.30762	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3042
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
52.95857	0.2
69.07063	0.3
69.58025	0.9
70.06583	0.3
79.59023	0.2
86.09744	0.3
98.22746	0.4
105.07047	0.2
107.36393	0.2
114.39366	0.2
127.03869	0.2
178.61256	0.2
185.04192	0.5
203.05438	0.2
227.20148	0.3
228.20265	0.3
259.07996	0.3
351.21173	0.3
399.15305	0.2
407.24487	0.3
425.25104	4.4
425.30499	0.4
436.21744	0.2
457.20349	1.7
459.22244	0.5
465.37814	0.2
471.22205	0.8
517.22644	0.5
569.12909	0.5
569.29059	0.4
587.30371	100.0
588.30664	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07671	0.2
52.82932	0.2
53.23376	0.2
56.05037	1.5
57.05821	0.4
58.06607	0.3
69.07071	5.9
69.50183	0.6
70.06594	1.1
72.08157	0.7
74.06081	3.5
81.07067	0.2
81.71651	0.2
84.04526	1.0
84.08132	0.4
85.02916	0.3
86.09708	100.0
87.10044	0.8
89.07166	0.2
93.07023	0.2
98.06071	0.7
102.05523	0.4
109.02920	0.2
116.07107	0.6
121.43797	0.2
126.05515	8.1
130.05029	0.6
142.12344	0.2
144.06592	0.8
148.06036	3.0
153.06604	1.2
157.13365	4.7
169.09741	0.7
185.12854	0.9
187.06071	0.3
197.09216	16.2
198.09517	0.3
199.18050	1.4
204.69342	0.2
215.10266	5.8
215.13629	0.3
227.17567	1.7
238.15543	0.5
243.13399	0.4
261.14465	8.2
282.18204	0.8
298.21234	0.5
300.19177	14.5
310.17682	0.3
328.18661	32.2
329.18979	0.6
374.23010	0.9
426.18518	0.2
441.27057	3.7
449.26160	0.2
546.19702	0.2
589.22919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
58.06623	0.4
60.08166	6.1
67.05495	0.4
67.36984	0.2
69.07088	0.2
70.07452	0.5
71.07375	3.1
83.54153	0.2
86.09707	29.2
93.38534	0.2
98.22826	0.4
98.98463	2.9
104.10755	3.2
125.00004	19.4
131.61459	0.2
179.14334	0.3
184.07339	100.0
185.07700	0.5
194.94832	0.2
364.06244	0.2
406.29160	0.2
418.00607	0.2
486.83466	0.3
570.35443	0.9
588.13470	0.7
588.36780	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	588.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.2
58.06599	1.5
59.07362	0.6
60.07872	0.9
60.08166	17.3
67.05502	1.0
69.07026	0.5
69.61709	1.7
69.62042	0.5
70.31625	0.6
71.07373	6.1
81.07043	0.8
86.09708	48.9
95.08621	1.1
98.23389	0.9
98.88686	0.5
98.98473	3.7
104.10745	94.7
105.07076	0.7
105.11071	0.8
107.08606	1.2
109.06493	0.7
113.03574	0.5
119.08544	1.1
123.08089	0.8
125.00006	29.2
133.10147	0.7
135.07994	0.7
175.34055	0.6
184.07346	100.0
185.07658	0.8
258.11069	1.3
331.26324	1.1
362.11981	0.6
363.22922	0.6
396.08371	0.7
408.44836	0.6
460.07657	0.7
470.98462	0.6
491.09885	0.6
529.13861	1.1
570.35406	7.0
588.14490	1.4
588.36609	35.3
589.36981	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1916
Annotation	Matteuorienate C
Peak:m/z	Relative Intensity
54.88634	0.1
69.27608	0.4
69.27995	0.2
71.79307	0.1
81.03419	0.3
81.07071	0.1
83.01333	0.2
85.02888	0.2
97.02888	0.1
103.03954	0.1
103.05450	0.3
105.03405	0.3
107.04955	0.2
109.07443	0.1
127.03921	0.2
129.03423	0.1
135.04369	0.1
145.04929	0.2
179.03354	0.2
181.04961	1.7
181.06430	0.1
217.56512	0.1
237.09181	0.2
267.06439	0.2
268.07327	1.0
278.93381	0.1
281.08032	1.5
283.09631	100.0
284.09967	2.6
365.22485	0.1
367.65820	0.1
589.19672	0.5
589.27527	0.2
589.33191	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	590.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.4
57.03434	1.0
61.02912	1.4
67.05508	2.6
69.03429	4.4
69.07076	2.3
69.81110	2.8
70.06596	2.6
71.05000	1.1
74.44875	0.8
79.05504	3.4
79.34027	0.9
81.03407	1.2
81.07067	5.0
82.06592	1.4
85.02914	6.0
85.06567	0.9
86.09705	1.1
87.04485	2.1
91.05496	3.2
93.07032	5.2
94.06583	2.3
95.08631	4.1
96.08152	1.0
97.02905	3.7
97.06529	1.3
99.04440	1.1
103.03902	1.0
105.07033	2.5
107.08608	3.9
108.08149	2.4
109.02905	0.9
109.06547	1.4
109.10178	1.9
115.03949	2.6
119.08605	3.3
120.08112	1.4
121.10165	4.0
123.04433	6.0
127.03986	2.4
131.08612	1.8
132.08012	1.2
133.04922	2.3
133.10155	3.3
135.11763	2.6
144.09549	1.0
145.10165	2.6
146.09648	5.6
146.46078	1.0
147.11737	2.5
147.46301	1.3
157.10097	0.9
159.11726	2.4
160.11192	1.2
164.10684	4.6
173.13348	1.9
176.14455	1.8
178.12329	1.6
179.03418	1.4
187.14816	1.9
192.13898	3.2
203.18056	1.3
220.16956	6.3
224.20157	2.2
243.21158	3.0
259.77087	1.1
261.22263	3.2
276.23181	1.1
284.09717	1.1
290.24863	1.4
304.26337	11.6
305.76569	1.1
324.28964	1.3
342.30200	1.4
366.24356	2.5
370.40173	0.9
400.32321	1.9
410.30719	2.6
427.31311	1.7
428.31604	27.1
429.32513	1.2
590.37048	100.0
591.29364	1.9
591.37695	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	591.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
60.64027	1.0
67.13857	0.9
69.34579	5.1
70.06589	10.2
72.08149	1.9
75.43441	0.9
84.04501	1.0
84.08152	2.5
85.02885	1.3
86.09699	5.3
98.22736	2.3
103.05464	1.1
107.04961	2.7
110.07222	1.2
119.04951	10.7
121.02869	14.0
147.04407	1.7
157.43819	1.0
161.02364	1.3
163.03896	1.3
175.03836	1.1
177.01801	5.1
179.03404	2.6
187.03923	2.8
189.01840	7.0
191.03401	3.4
195.02885	8.3
199.03999	2.5
203.03386	16.8
205.04985	2.1
207.02901	6.4
209.04355	1.2
209.90067	1.1
215.03384	16.8
217.05212	1.2
219.02982	1.1
221.04572	4.8
231.03122	1.2
233.04514	4.2
243.02945	7.7
254.05818	1.5
261.03873	2.7
263.04550	1.0
268.07214	2.6
279.06564	3.0
283.06006	2.6
284.06918	1.4
292.07156	1.7
293.08118	2.4
295.06009	100.0
296.06650	5.3
297.07651	4.5
305.08096	1.7
306.08881	1.4
307.06006	40.8
307.09293	1.6
308.06754	12.6
309.04480	0.7
309.07538	23.5
317.08105	6.6
320.06808	2.6
321.07578	42.0
322.08267	7.0
323.09158	7.7
325.07053	25.8
333.07581	45.5
334.08237	5.6
337.06989	8.2
349.02747	2.0
349.07056	51.2
350.07678	4.7
351.08557	6.6
361.07068	68.3
362.07428	5.2
379.08096	45.3
397.09085	2.5
403.08044	1.3
423.07013	1.2
459.09106	3.8
471.09225	31.9
478.26291	1.2
483.09293	19.0
501.10199	13.4
502.10220	1.3
525.10248	52.4
526.10663	2.2
526.31329	1.1
537.10406	13.5
555.11328	98.9
556.11597	4.7
573.12299	33.5
575.83801	1.1
590.34052	1.3
591.13208	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	591.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92271	0.5
54.56534	0.5
61.04473	0.5
62.89485	0.5
64.81246	0.5
69.12864	0.7
70.06579	0.6
70.30761	1.1
70.31080	0.7
84.04499	0.6
112.17775	0.7
175.03667	4.2
185.04306	0.9
217.04811	2.1
219.06265	3.6
228.50868	0.7
232.07063	22.0
233.07841	0.9
245.07788	0.8
351.10501	10.7
358.90820	0.5
365.12079	12.2
381.11673	1.0
429.15204	4.8
560.19067	0.6
591.20465	100.0
592.20953	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	591.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68581	1.2
63.17532	1.1
70.06590	2.3
71.46718	1.0
102.92866	1.3
143.47049	1.2
175.03658	3.4
205.41757	1.2
213.02672	1.4
219.06392	2.3
232.07053	22.4
246.17258	1.2
351.10565	10.1
365.12106	12.1
384.01971	1.5
429.15219	4.4
463.23245	1.4
563.29352	1.3
591.20398	100.0
592.20984	5.2
619.72339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43576	2.6
55.01859	3.4
55.05505	4.5
67.05502	10.8
69.03404	3.7
69.07040	4.5
69.67242	2.5
69.67574	7.8
79.05486	11.4
81.05791	2.7
81.07044	10.9
82.06565	5.0
83.04965	2.6
83.08617	3.0
85.06526	3.4
86.09709	2.9
87.04397	2.7
91.05479	8.8
93.07056	19.5
94.06564	17.9
95.04948	4.7
95.08604	16.8
96.08161	2.4
97.02912	3.1
97.06531	5.3
98.22751	4.9
104.10757	9.7
105.07008	8.2
110.09686	6.8
111.08096	13.5
122.09665	31.6
123.08050	26.3
128.10727	26.5
140.10692	100.0
141.09108	11.1
144.38417	2.1
145.10123	2.1
147.11678	2.5
157.66338	2.5
158.11786	8.1
233.74907	2.4
272.25702	8.3
275.20151	3.9
295.17429	2.4
370.49561	2.5
382.33176	9.5
394.33130	18.5
412.29031	4.7
412.34216	79.7
413.34326	3.0
462.16882	2.5
512.31879	2.7
557.34259	4.0
602.26648	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	592.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.6
55.76190	1.7
57.07062	7.6
58.16784	1.9
62.55170	2.0
67.05507	15.7
69.07066	5.6
79.05509	10.2
81.03413	6.8
81.07060	20.0
83.08618	3.4
85.10180	22.1
91.05473	8.7
93.07038	9.7
95.04967	6.8
95.08605	15.6
97.10173	3.6
103.18850	1.8
105.07030	7.8
107.04948	6.5
107.08581	5.8
109.10134	5.4
111.08060	3.3
113.09638	18.2
119.08569	4.7
121.10129	2.7
133.10143	4.1
147.11681	7.6
149.09624	3.8
149.13301	2.4
151.11171	3.7
161.13315	2.3
163.11148	4.1
165.12755	29.1
183.13754	2.2
241.19688	2.4
259.20615	4.8
271.95667	2.3
277.21643	44.9
295.22672	100.0
296.23065	3.3
345.29947	2.4
427.35803	2.2
428.84756	2.0
557.45306	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	593.2762
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
80.82596	1.0
87.45930	1.0
121.71883	1.1
145.97006	1.1
212.72179	1.3
313.27206	1.6
314.27786	1.6
417.21378	1.6
418.21768	1.4
419.22534	1.9
431.18643	4.5
432.19290	2.0
433.23889	3.2
445.20038	6.8
446.21002	3.8
447.21899	5.3
460.22543	11.5
461.23337	8.8
467.86295	1.2
488.73438	1.2
492.25079	1.6
505.22418	6.5
533.25488	27.8
534.25958	3.2
580.00226	1.3
593.27545	100.0
594.28107	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	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02111	0.4
71.06085	0.5
71.06429	0.4
72.28948	0.4
101.17677	0.4
116.00087	0.4
127.19179	0.4
184.24377	0.4
199.82729	0.4
279.15820	0.4
301.16248	0.4
387.16425	0.6
401.17780	0.5
402.18381	0.9
403.19125	3.2
404.19885	0.5
405.20801	1.8
416.20511	0.7
417.21500	3.2
418.21719	1.8
419.22574	3.4
420.22739	0.5
430.17438	0.8
431.18204	7.5
431.23740	0.6
432.18484	2.0
433.24268	7.9
434.24597	1.3
445.19858	10.2
446.20746	5.3
447.21582	4.6
449.23685	0.6
459.21454	3.6
460.22525	11.7
461.23251	11.1
462.23492	0.6
473.23560	2.5
474.24207	1.1
476.25839	1.0
487.24850	1.1
489.27042	0.6
491.24829	0.6
492.25232	1.4
505.21820	3.8
518.23334	1.0
519.23682	0.6
533.25482	39.2
534.25812	2.8
546.05078	0.5
564.24072	0.7
565.28137	0.8
593.27563	100.0
594.27930	7.0
619.11749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3686
Annotation	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03931	1.7
55.01864	1.6
55.05508	2.3
57.03441	3.4
57.07066	1.4
61.02906	4.1
67.05499	16.2
69.03431	9.2
69.07058	3.7
69.36308	5.3
70.06567	1.6
71.04987	2.1
73.29092	1.3
79.05485	5.9
81.03406	4.0
81.07065	11.8
84.08147	1.5
85.02905	25.4
85.06541	11.0
91.03960	1.8
91.05476	5.7
93.07040	9.8
95.04977	6.8
95.08599	9.7
97.02898	8.3
97.06519	2.1
99.04449	2.2
103.03922	2.2
103.47427	1.3
104.69726	1.5
105.07032	12.2
107.08591	15.0
109.02895	2.9
109.06521	2.8
109.10151	14.0
109.24768	1.2
111.08088	1.5
113.05993	6.5
117.07010	1.8
119.05029	1.9
119.08591	8.4
121.10140	22.4
123.11690	2.4
127.03938	7.1
129.07002	3.6
131.08577	10.7
133.10138	16.6
135.11719	4.3
137.09555	1.4
138.25404	1.2
141.06921	2.2
142.07771	3.0
143.08606	7.2
143.10672	3.0
145.04930	5.7
145.10118	16.9
147.11679	20.0
149.09636	2.5
149.13280	2.7
151.11235	3.3
153.11763	1.5
155.08516	2.9
157.10117	40.8
159.11694	21.0
161.13235	3.2
163.11191	1.9
169.10135	3.1
171.11703	10.2
173.13260	4.5
175.03969	1.9
175.11191	10.1
177.12686	1.6
183.11699	5.5
185.13272	4.2
197.13203	6.2
199.14922	2.2
207.06580	5.8
211.14742	6.2
213.16377	4.1
224.15494	1.8
225.16338	3.8
253.19514	80.4
254.19803	2.5
271.20557	100.0
272.20840	3.6
283.24246	1.9
322.74377	1.6
355.26248	11.4
383.30252	1.4
395.29352	3.8
413.30487	63.8
431.31540	65.0
432.31735	2.6
433.25912	9.5
437.60886	1.4
512.57532	1.3
517.31689	2.9
575.36090	13.5
593.22424	1.9
593.32874	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	594.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13689	0.2
53.26284	0.3
56.05022	0.5
56.96565	0.8
58.06593	0.9
60.07863	0.4
60.08162	6.9
70.02488	0.3
70.02803	0.4
70.06577	0.3
71.07375	2.9
72.08148	0.6
77.08226	0.2
79.05486	0.2
86.09707	12.5
93.07016	0.2
95.08575	0.3
102.92612	0.8
104.10742	100.0
105.11076	0.6
118.92128	0.9
136.93100	2.8
136.93929	0.3
154.94182	4.0
162.94661	2.2
172.95230	4.2
177.12770	0.4
177.95795	0.5
180.95728	11.1
187.12668	0.2
190.96368	0.9
192.95790	0.4
193.07242	0.2
195.96785	0.3
198.96796	24.7
203.97301	0.6
210.96739	1.7
216.95734	0.5
216.97858	9.6
221.98364	2.0
226.01526	0.3
228.97786	2.0
236.98389	0.8
239.99420	0.7
240.09935	0.4
254.99461	1.4
258.04364	0.3
273.00455	0.2
295.19595	0.4
313.20575	2.3
314.06619	0.4
331.21603	0.9
393.17194	0.4
419.18484	1.4
420.18579	0.2
431.19101	0.3
437.19760	1.0
449.19769	2.6
467.21320	0.4
475.21375	1.9
478.26074	4.2
490.21725	0.3
524.05798	0.3
534.28693	6.8
535.23181	0.5
541.35175	0.3
594.30780	17.0
595.31317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42223	0.4
55.05500	0.8
67.05509	3.2
69.07036	1.2
71.24841	0.5
79.05470	1.8
79.88193	0.4
81.07056	2.7
84.81244	0.5
86.62127	0.5
89.06009	0.5
91.05461	1.8
93.07020	2.0
95.04958	0.6
95.08578	2.1
98.22705	1.4
98.98440	3.2
104.10703	1.5
105.07002	1.4
105.32842	0.5
107.08541	1.0
109.10144	0.9
114.94586	0.5
117.07006	1.1
118.06547	3.5
119.07336	2.6
119.08556	0.9
125.00001	11.8
132.08130	0.7
133.10149	0.7
134.09651	27.2
144.08075	8.8
145.08873	5.5
147.11710	0.5
147.93301	0.4
160.11212	100.0
161.11574	2.3
162.09171	0.9
178.12271	74.6
179.12633	1.1
194.27838	0.5
227.12721	0.7
258.08908	66.5
259.09344	0.8
285.66788	0.5
333.23978	0.5
458.51297	0.5
559.36212	0.8
576.34412	6.5
594.35553	26.2
595.35864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
61.77343	0.2
63.15290	0.2
67.05511	1.0
69.07061	0.5
69.78955	0.2
69.79280	0.4
70.06577	0.2
79.05478	0.5
81.07055	0.8
86.09674	0.3
91.05473	0.7
93.07027	0.3
95.08579	0.3
96.58066	0.2
98.98462	3.3
104.10738	2.2
105.07027	0.3
107.08594	0.5
109.10176	0.2
117.05753	0.2
117.07011	0.6
118.06542	1.1
119.07319	0.8
125.00001	12.2
130.06509	0.2
132.08041	0.2
133.10092	0.2
134.09651	14.1
144.08081	5.5
145.08884	3.1
158.09702	0.2
160.11211	86.5
161.11572	1.5
178.12267	5.8
180.95726	0.3
198.96829	0.4
216.97900	0.3
246.36148	0.2
256.26196	0.3
258.08902	100.0
259.09265	1.8
332.12259	0.2
532.62164	0.2
534.28461	0.2
576.34302	1.0
576.48114	0.2
594.36023	2.9
594.46582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05513	10.9
57.03440	5.0
67.05504	21.8
69.07078	8.0
69.07396	1.6
69.18211	7.0
71.04987	2.3
76.54802	1.3
79.05493	24.5
81.07060	21.3
81.07516	2.6
83.04997	2.1
83.08624	4.2
85.06548	1.5
91.05473	23.2
93.07047	34.5
95.04971	6.2
95.08606	27.0
97.06554	2.8
98.98464	2.0
104.10748	2.5
105.07018	26.8
107.04948	3.2
107.08594	23.1
109.06532	2.2
109.10166	6.7
113.09743	1.8
117.07011	10.3
118.06521	2.9
119.07319	3.8
119.08578	18.4
121.06529	1.8
121.10146	13.0
123.11741	2.4
125.00021	11.7
125.06009	2.0
129.07007	3.7
131.08571	6.4
133.10129	13.1
134.09642	26.9
134.10593	2.3
135.11684	25.9
139.77412	1.4
143.08557	3.1
144.08072	8.9
145.08954	3.1
145.10095	18.0
147.11678	10.5
149.13315	3.9
157.10272	1.5
159.11696	4.5
160.11208	100.0
161.11780	2.1
161.13251	9.9
163.11177	26.3
163.12444	2.2
171.06332	1.4
171.11711	5.3
173.13275	3.7
175.14870	4.8
178.12270	72.2
181.12231	5.1
213.16408	1.9
215.18256	1.4
227.12775	46.0
231.21211	2.8
241.19524	14.0
258.08908	70.0
259.20569	29.8
260.20819	2.0
283.15378	26.9
315.23315	6.1
333.24182	51.7
334.24557	2.0
541.35278	19.7
576.34393	8.9
594.35773	24.3
594.45599	2.4
595.36169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01877	0.3
57.33598	0.2
61.02909	0.2
66.60384	0.3
68.99786	0.3
69.57285	0.4
69.57667	0.4
69.84976	0.2
70.06599	0.8
72.08150	0.4
81.03407	0.3
84.08147	1.2
85.02899	0.5
86.09711	0.4
86.69256	0.2
88.51407	0.2
91.55045	0.2
92.53278	0.2
107.05005	0.3
109.02885	0.3
110.07156	0.3
119.04939	0.9
121.02864	2.8
123.04420	0.3
129.10216	0.4
137.02332	1.7
140.06673	0.2
143.04918	0.3
145.02853	0.5
147.04434	0.3
149.02290	0.3
155.43974	0.2
157.06488	0.3
159.04558	0.3
161.05951	0.4
164.16214	0.2
165.01859	0.3
175.03969	0.3
177.01799	0.5
177.83852	0.2
185.06007	0.5
189.01808	0.5
189.05457	0.4
191.03395	0.6
195.02898	0.5
199.03954	0.3
201.05515	0.3
203.03436	1.4
203.07054	0.3
207.02875	0.8
213.05450	2.0
217.04993	0.9
219.02843	0.5
221.04453	0.4
227.03502	0.3
229.05063	0.3
231.06578	0.5
241.04942	1.1
243.06575	0.2
245.04353	0.2
255.02899	0.2
259.06003	0.3
262.80438	0.2
267.06577	0.3
268.07339	0.3
269.04483	0.5
273.03925	0.4
279.06451	0.5
281.07925	0.4
283.06055	0.7
284.06927	0.3
287.05496	100.0
288.05811	2.4
292.07425	0.3
293.08020	0.4
294.05307	1.2
295.06021	8.4
296.06757	0.3
297.07565	0.8
307.06015	4.1
308.06805	1.2
309.07541	1.0
313.07196	0.7
319.06027	0.5
319.09885	0.2
320.06851	0.5
321.07565	3.3
322.08340	1.3
323.05496	0.2
323.09277	0.3
325.07037	7.0
333.07751	1.1
334.07965	0.3
335.09192	1.6
336.06140	0.4
337.03305	0.4
337.07062	4.1
338.07617	0.3
345.07446	0.4
347.05505	0.2
347.09210	1.0
349.07050	4.0
349.11029	0.4
351.08640	1.8
355.08047	1.2
357.07568	0.3
361.07010	1.6
361.10825	0.4
363.08701	0.7
365.10150	0.8
367.08081	0.5
373.06888	0.6
375.08823	1.2
377.14999	0.2
379.08136	3.8
385.07230	0.3
387.08694	0.3
389.10065	0.5
391.08130	3.2
401.10196	0.5
403.08127	2.1
409.09152	4.3
410.08981	0.2
415.07877	0.4
421.09076	1.9
427.10254	4.2
433.09891	0.5
439.10330	2.2
445.11069	1.2
449.10681	2.3
457.11346	7.6
463.10083	0.6
475.12228	2.0
481.11288	4.1
487.10263	0.3
493.11423	0.5
499.12350	3.7
505.11215	0.6
511.12305	2.5
523.12244	1.8
529.13281	2.2
541.13318	2.2
559.14545	2.3
577.15369	2.3
595.16547	5.8
595.26245	0.4
595.30615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03937	0.3
55.05489	0.2
57.03432	1.4
61.02892	0.6
68.99774	0.4
69.03420	1.3
69.31979	0.5
69.32387	0.5
71.04993	9.1
73.02901	0.4
81.03372	0.7
83.04974	0.3
85.02902	12.3
87.04450	0.4
89.12366	0.2
91.03955	0.3
91.39877	0.2
97.02884	1.4
98.22652	0.3
99.04441	0.3
107.04928	0.2
109.02844	0.6
111.00776	0.5
111.04413	0.4
121.02859	1.7
121.19633	0.2
127.03867	0.8
128.16708	0.2
128.31419	0.2
129.05469	2.7
133.02823	0.4
137.02296	0.4
145.04915	0.8
145.06520	0.2
147.04417	0.3
147.06487	0.8
153.01813	2.3
165.01846	1.1
175.03659	0.9
183.02849	0.6
205.31444	0.2
213.05441	1.0
231.06503	0.4
238.88524	0.2
241.04874	0.8
258.05219	0.8
259.05765	0.2
287.05484	100.0
288.05789	2.2
385.12680	0.4
399.14276	0.5
434.56870	0.2
449.10593	0.5
455.73163	0.2
595.21478	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
60.17712	2.6
70.06601	5.9
70.19185	4.3
85.02918	9.4
98.22746	3.3
109.02919	5.8
119.04965	10.9
120.08128	2.7
121.02868	43.2
130.09406	2.9
134.70776	2.9
145.02875	5.7
148.44553	3.1
157.75854	2.9
163.03935	4.0
189.01859	7.7
189.05499	3.0
191.03387	3.9
195.02914	11.4
201.05521	3.8
203.03389	18.9
205.04865	3.3
207.02965	9.9
217.04906	8.4
217.26582	2.9
219.02893	5.3
221.04533	5.6
229.04936	5.5
231.37724	2.8
267.06506	5.5
268.07297	4.1
279.06503	6.7
281.08121	5.0
283.06058	9.7
293.07709	4.0
294.05405	21.9
294.08252	4.9
295.06036	100.0
295.09268	3.2
296.06607	6.3
297.07584	11.5
307.05969	56.1
307.09119	3.4
308.06699	22.1
309.07422	14.6
313.07031	6.5
318.08823	4.0
319.06006	7.8
320.06705	4.2
321.07568	42.8
322.08279	15.8
323.05484	5.6
325.07071	95.6
333.07465	8.2
335.05475	5.6
335.09048	25.6
336.06238	5.2
337.07028	63.7
339.09027	3.5
345.07471	3.4
347.09174	18.0
349.06998	62.2
349.11017	5.5
351.08575	22.6
355.07935	17.4
361.07010	24.8
361.10800	4.0
363.08530	11.7
365.10242	12.4
367.08139	8.5
374.07465	4.8
375.08493	15.3
379.08102	61.1
387.08484	4.1
389.10046	7.9
391.08133	36.8
403.08121	28.3
409.09125	38.2
415.07993	8.1
417.09598	4.0
421.09232	30.5
427.10364	52.3
431.11954	4.2
433.09576	6.0
439.10300	28.6
445.10681	12.4
457.11334	81.7
463.10025	11.5
475.12332	32.7
481.11349	47.4
487.10306	6.0
493.11310	6.2
499.12357	38.5
505.11209	8.2
511.12219	35.4
523.12341	26.8
529.13470	21.6
541.13379	43.6
559.14447	38.2
577.15625	21.1
581.38739	3.7
595.17944	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	595.1658
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
53.08167	1.4
54.04993	1.4
55.01890	1.5
57.03432	3.2
61.02931	2.6
67.01842	1.8
69.50932	5.6
70.06561	1.5
71.07626	1.5
81.03404	2.7
85.02897	7.4
93.03383	2.2
98.23538	1.5
103.03934	1.9
107.04949	2.3
109.02865	2.6
111.04488	1.6
119.04938	9.8
119.52216	1.5
121.02859	32.7
137.02292	2.3
145.02777	4.7
159.04396	2.7
175.03917	2.2
177.01830	4.9
179.03413	2.6
187.04080	2.0
189.01758	10.4
189.05443	1.6
191.03374	4.8
195.02919	6.1
201.01765	1.9
201.05493	2.1
203.03351	16.8
205.05026	2.1
207.02913	8.0
215.03401	2.5
217.04958	6.7
219.02858	5.6
221.04382	5.1
227.03372	1.5
229.05054	5.1
231.02867	2.2
233.04401	3.5
241.04776	1.6
243.02901	3.2
243.06421	1.9
245.04510	2.2
248.46603	1.5
250.13135	1.6
255.02904	3.1
257.04520	2.6
267.06522	2.7
268.07260	6.3
269.04391	1.6
279.06409	4.6
281.04471	2.2
281.08054	4.1
283.05923	8.3
284.06952	2.0
285.03894	2.1
287.05450	33.8
291.06424	2.3
293.07965	4.3
294.05276	14.6
295.05994	100.0
296.06677	9.2
297.07501	9.3
305.07935	2.0
307.05984	53.3
307.09369	1.8
308.06729	14.8
309.07642	13.8
313.07083	4.7
317.07947	2.8
318.08701	1.6
319.05902	5.7
319.09561	2.7
320.06693	3.5
321.07550	44.6
322.08398	13.8
323.05829	2.5
323.09174	5.2
325.07040	95.6
326.07428	2.5
329.08093	3.3
333.07568	10.2
334.08185	2.1
335.05490	3.1
335.09131	22.0
336.06119	5.8
337.07016	42.7
345.07745	1.6
346.08347	3.4
347.09192	19.4
349.07047	56.5
350.07138	2.0
351.08551	23.6
355.08069	10.6
359.09058	2.3
361.06985	19.5
361.10779	3.2
363.08722	9.3
365.10434	10.1
367.08014	6.4
373.07031	6.5
374.07718	2.2
375.08630	18.9
379.08090	54.8
380.07718	1.6
385.07043	2.4
387.08652	3.7
389.10336	9.1
391.08060	30.5
393.09521	2.2
397.09195	1.8
399.08160	1.8
401.10135	2.9
403.08026	29.0
409.09128	46.2
415.07733	7.1
417.09628	5.7
421.09094	20.4
427.10294	51.6
428.10663	2.6
433.09137	5.9
439.10156	21.2
445.11340	18.8
449.11597	1.9
457.11292	75.0
458.11548	5.0
463.10254	7.1
469.09021	2.8
475.12280	23.3
481.11319	53.9
487.10342	4.0
493.10736	3.5
499.12308	43.8
500.12369	2.1
505.11417	9.6
511.12408	34.9
512.12817	2.2
523.12280	22.6
529.13348	27.2
541.13373	26.1
559.14484	28.7
577.15491	31.2
595.16437	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	595.1657
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
50.50924	1.8
57.03422	4.2
61.02902	1.7
70.60676	2.4
73.95000	1.7
81.79046	2.1
85.02905	3.9
86.77301	1.8
104.05560	2.0
107.04997	1.8
119.04941	7.7
119.18212	1.8
119.40799	1.8
121.02873	32.9
122.63081	1.7
132.75124	1.9
163.03888	2.2
165.01817	2.1
167.34436	1.9
175.03880	2.6
177.01871	4.9
179.03279	2.0
189.01895	8.8
190.02483	2.0
191.03357	4.3
195.02802	2.4
201.05333	2.3
203.03389	17.2
207.02859	6.9
217.01485	2.0
217.04974	7.8
219.02733	2.8
227.03329	2.2
231.02934	3.0
241.04900	2.1
255.02878	2.8
267.06558	3.2
268.07239	3.8
271.05945	3.3
279.06451	5.4
280.07318	2.3
281.07895	2.8
283.06030	11.9
284.06802	3.5
292.07269	3.0
293.08017	4.4
294.05310	11.1
295.05991	100.0
296.06653	10.6
297.07574	10.3
305.08096	3.3
307.02316	3.4
307.05972	73.0
308.06647	14.4
309.04095	3.0
309.07556	22.5
313.06982	10.4
317.08221	1.9
319.06018	5.7
320.06845	6.6
321.07523	44.2
322.08304	7.5
323.05554	4.7
323.09201	6.6
324.06076	2.2
325.07059	70.6
329.08124	2.7
333.07568	8.4
335.05368	4.9
335.09149	21.6
336.06342	9.0
336.09778	3.1
337.07016	46.1
337.10742	4.4
338.07425	3.6
339.08682	5.1
345.07571	2.5
347.05551	2.3
347.09113	12.8
349.07040	54.8
349.11044	3.4
350.07779	3.2
351.08588	16.7
353.06552	6.1
353.10376	2.3
355.08313	2.6
357.07471	3.4
361.07010	12.2
361.10620	3.8
363.08588	21.2
365.06436	7.9
365.10425	9.6
367.08163	6.4
373.07355	9.3
375.08609	20.5
377.06491	6.8
377.10587	3.7
378.07162	2.7
379.08054	29.4
387.08713	2.8
389.10287	6.7
391.08115	37.8
393.09512	16.1
395.07520	2.9
397.08878	3.8
401.10504	2.7
403.07858	15.0
405.09549	5.7
409.09244	21.8
417.09601	6.6
421.09158	36.9
427.10315	20.9
429.09106	3.9
431.11197	2.9
433.08981	3.5
435.10443	3.1
439.10260	63.9
440.10669	3.0
445.08981	10.8
451.09811	2.4
457.11383	26.6
459.10648	4.5
463.10104	9.4
467.12424	2.1
475.11041	3.9
481.11310	17.8
487.10028	3.1
493.11008	4.6
495.12445	3.5
497.10660	3.9
499.11966	4.4
505.11273	10.8
511.12332	6.6
513.14368	2.4
515.11334	3.4
523.12384	31.2
541.13367	67.9
542.13507	2.8
559.14478	91.7
560.14600	6.0
577.15430	13.9
600.65765	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	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
57.03437	4.2
69.47039	5.0
69.47436	4.2
70.06593	4.0
81.03410	4.6
85.02906	5.2
86.09696	3.3
93.54829	2.2
106.70711	2.1
109.02911	4.0
117.95644	2.0
119.04958	5.5
120.08015	2.3
121.02863	25.7
123.04401	2.2
126.24599	1.9
140.57310	2.7
145.02888	3.7
149.05986	5.4
151.03903	19.8
161.02336	2.2
163.03922	4.5
165.01822	3.3
175.03874	3.9
177.01807	9.7
179.04880	2.0
187.03839	3.9
189.01837	11.5
191.03395	5.6
195.02873	4.8
199.03888	2.5
203.03372	21.5
205.04916	2.6
207.02824	9.7
209.04311	2.3
215.03300	2.6
217.04968	9.2
219.03008	4.6
221.04451	4.7
227.03415	3.7
227.82506	2.0
229.04999	4.6
231.02882	3.6
233.04327	2.7
235.05972	2.2
241.04939	3.7
243.02983	5.0
255.02875	8.2
257.04364	3.8
267.06464	4.4
268.07272	4.3
271.06046	3.5
279.06491	3.8
280.07043	2.6
281.08008	3.7
283.05945	25.0
284.06577	3.9
285.03934	2.3
287.05350	2.7
292.07303	2.7
293.08136	3.8
294.05225	7.2
295.06015	99.5
296.06595	11.0
296.49545	2.0
297.07541	12.2
298.08463	2.7
307.05981	51.4
308.06720	14.6
309.04089	3.3
309.07458	25.0
310.04694	6.8
311.05399	3.4
311.08951	2.6
312.06271	5.3
313.06955	5.8
317.08313	2.6
319.06015	8.0
320.06714	6.5
321.07599	43.0
322.04681	6.8
322.08344	6.4
323.05389	10.2
323.09143	7.4
324.06354	13.8
325.03171	4.8
325.07047	100.0
326.07648	8.1
327.08481	4.3
333.07465	7.2
334.08350	3.6
335.05508	4.7
335.09155	32.0
336.06125	13.4
337.07047	67.4
337.10553	2.5
338.07806	8.7
339.08545	9.4
345.07492	3.1
346.08142	3.0
347.09006	11.3
348.06396	4.8
349.07007	42.9
349.11002	3.8
350.07721	9.1
351.04697	2.2
351.08640	32.4
352.09375	5.4
353.06461	8.7
353.10336	3.5
355.08160	47.9
360.05963	2.6
361.06961	15.4
361.10800	3.4
362.07697	5.7
363.08658	24.6
364.09320	4.3
365.06400	8.2
365.10254	8.0
366.07376	3.9
367.08093	35.4
373.07050	9.3
374.07800	3.4
375.08478	9.2
377.06378	7.8
377.10248	7.3
379.08035	41.3
379.12314	3.8
380.08759	3.9
381.09631	18.4
385.09238	6.0
389.10565	3.5
391.08081	61.1
393.09708	8.0
395.11343	5.4
397.09167	8.6
401.06174	2.7
403.07834	11.7
404.08539	2.3
405.09454	10.4
407.07327	5.5
409.09131	90.7
410.09186	3.4
415.10284	4.2
417.09491	6.9
421.09091	21.9
427.10251	44.2
428.10501	3.3
431.11661	3.3
433.09167	12.1
435.10657	10.4
439.10205	42.2
445.11285	15.2
447.10754	2.9
449.12540	4.8
451.10287	11.7
457.11227	39.9
459.10751	3.2
463.10272	27.0
469.11349	13.2
475.12180	24.7
477.11469	4.0
481.11285	80.3
482.11581	3.7
487.12198	24.5
493.11234	41.8
499.12341	61.8
500.12506	4.4
505.11246	18.0
511.12369	47.2
523.12231	34.1
529.13544	26.8
541.13440	47.8
559.14429	71.9
577.07501	2.8
577.15594	36.0
595.16327	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	596.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	18.7
56.35458	1.3
67.05496	1.6
69.84137	5.3
70.06594	1.4
74.00658	1.6
76.04029	2.2
83.04977	1.6
83.06093	8.5
84.04505	28.7
84.08142	1.8
85.02892	2.1
95.04988	1.6
98.23485	1.9
99.02663	2.7
111.04465	3.0
112.03970	20.7
127.02132	16.4
129.06589	16.7
130.05005	77.0
131.04898	1.8
135.02649	8.4
139.03896	66.4
149.00626	2.2
151.02171	2.7
151.03900	2.7
153.06660	2.0
155.01601	28.7
163.02251	11.2
163.03886	22.4
178.03322	1.9
179.01619	19.3
181.03210	3.9
183.01105	47.4
189.00101	1.8
191.01584	12.9
196.04315	4.0
203.01657	7.0
208.04353	5.0
209.02661	15.7
217.03267	1.9
219.01146	1.7
226.05362	5.9
237.02209	3.2
242.05792	3.5
244.73494	1.4
270.05276	4.9
272.22141	4.2
275.03833	2.2
281.05884	2.7
282.04276	11.3
299.07019	2.5
303.03149	18.8
312.05374	12.1
329.08020	100.0
330.08240	1.9
339.66281	1.4
347.05811	2.5
357.04285	2.4
383.09103	11.7
396.41583	1.4
432.07568	2.9
441.09442	1.8
449.10156	12.0
458.12259	66.0
467.11481	3.0
476.04102	1.9
503.11346	3.3
521.12061	16.5
522.11694	1.8
541.92889	1.6
578.14282	3.5
596.15515	15.1
596.32953	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	596.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71255	1.4
53.03963	1.9
54.33255	1.3
55.01878	2.4
55.05502	9.9
57.03440	4.0
57.07071	3.2
65.03949	2.5
67.05503	67.3
69.03447	1.7
69.07059	10.9
70.70989	3.0
71.04987	3.8
73.02937	1.3
75.04490	2.1
77.03896	1.6
79.05493	40.3
81.03407	3.0
81.07055	76.9
83.04985	1.8
83.08609	7.0
85.02928	3.2
85.06535	1.8
91.05479	21.5
93.06447	2.7
93.07043	52.6
95.04953	3.1
95.08603	59.6
97.06543	3.6
97.10159	5.1
99.04465	2.6
99.08100	2.9
101.32703	1.5
105.04510	2.2
105.07024	18.1
107.08592	35.5
108.11549	1.5
109.02869	3.9
109.06532	2.7
109.10159	29.7
111.04454	3.2
111.08105	2.3
117.07001	8.9
118.80366	1.5
119.08591	15.2
121.10145	34.7
121.10986	2.7
123.11716	16.9
125.09634	2.0
131.08556	20.9
133.10107	13.3
135.11690	28.5
137.09550	2.2
137.13275	7.0
143.08553	2.0
145.10118	15.0
147.11681	14.4
149.13245	20.2
151.11258	2.1
151.14798	2.2
159.11691	16.1
161.13264	11.5
163.14813	14.9
165.12744	3.5
167.14372	1.8
173.13260	13.9
175.14783	3.2
177.16432	5.5
187.14778	8.5
191.00143	4.6
191.14275	2.3
201.16428	2.6
233.22643	2.6
243.21068	40.3
261.22128	100.0
262.22607	1.8
279.23181	5.0
303.23288	1.7
316.72025	1.5
335.22189	2.6
335.25803	27.2
353.26865	45.9
369.24072	2.3
377.26822	1.9
451.21564	2.3
469.22726	1.4
487.23065	1.8
549.13666	1.6
561.27148	11.8
573.98828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01853	2.9
55.05515	11.2
55.22300	1.8
57.03433	4.5
65.03944	3.1
67.05156	4.1
67.05502	59.7
67.49236	2.2
69.03378	1.8
69.07061	13.5
69.18571	12.4
71.08640	2.8
79.05491	37.9
81.06568	3.3
81.07056	68.4
83.08627	8.9
85.02919	2.1
85.06533	2.2
86.09727	4.4
91.05477	19.9
93.07043	48.4
95.04970	4.5
95.08604	51.1
96.42879	1.9
97.06535	3.5
97.10173	4.7
98.23529	4.2
99.04472	2.3
99.08076	2.4
104.10732	31.9
104.11368	2.4
105.06999	21.3
107.08595	36.2
109.02910	4.2
109.10161	26.2
110.03628	4.0
113.09695	2.3
117.07016	9.4
119.08595	14.5
121.10139	30.9
123.08050	2.9
123.11676	17.1
125.09588	2.7
127.03954	3.9
131.08554	18.7
133.10123	16.7
135.11693	27.1
137.09673	2.4
137.13271	7.1
139.11226	3.1
145.10104	14.2
147.11679	9.3
149.13249	20.6
153.12839	2.2
159.11703	17.6
161.13269	11.1
162.53951	1.9
163.14810	15.8
173.13272	17.6
175.14816	5.7
177.12714	2.4
177.16371	3.7
187.14836	9.0
190.99966	5.0
191.14270	2.3
198.96835	2.3
201.16399	4.5
205.15858	3.0
233.22635	4.1
243.21071	39.2
261.22128	100.0
279.23178	3.1
335.25699	14.1
337.27441	3.0
353.26834	44.5
369.24579	2.7
451.21536	2.6
561.27057	4.1
570.91235	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	596.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20378	2.7
53.03945	9.1
55.01876	9.5
55.05505	18.3
57.03432	17.3
57.07071	5.8
65.03934	6.2
67.05506	90.7
69.07072	20.5
69.11489	15.2
71.04985	3.6
79.05493	73.6
81.03423	9.5
81.07059	78.3
83.04992	22.3
83.08611	9.4
85.06554	4.6
91.05483	44.1
93.07045	78.9
95.04960	24.9
95.08603	50.4
97.06528	15.5
99.04440	3.5
105.07029	23.0
107.04955	36.7
107.08589	36.4
107.09256	3.6
109.06530	5.3
109.10154	23.3
111.04444	24.8
111.08091	8.5
117.07021	18.5
119.08589	27.5
121.06483	3.3
121.10146	45.2
123.11694	6.1
129.06985	3.2
130.07785	3.2
131.04898	3.6
131.08578	25.9
133.10136	9.7
135.11696	43.0
137.13286	2.6
139.11136	2.7
143.08569	3.4
145.06487	7.6
145.10126	43.3
147.08031	2.7
147.11684	10.3
149.09592	4.3
153.12730	8.4
155.08560	10.4
159.11751	6.7
163.11186	39.8
163.14853	3.8
173.09628	27.7
173.13295	3.2
178.01268	2.6
181.12279	15.1
191.10666	19.2
209.11794	7.5
227.12790	21.1
243.20984	3.8
261.22162	17.5
262.18134	5.3
265.14365	41.6
277.71774	2.4
283.15402	86.8
301.16422	55.5
317.24625	3.5
335.21710	4.8
335.25787	100.0
336.02029	2.4
408.54498	2.5
451.32016	4.3
469.32370	2.5
515.37140	6.5
525.35614	6.6
543.28528	3.2
543.36841	46.0
561.37775	56.0
596.35358	3.4
597.28436	4.2
597.37335	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01859	11.7
55.05504	18.5
57.03431	15.6
67.05503	100.0
69.07079	20.3
69.12301	25.5
71.05004	3.5
79.05490	82.4
81.03408	11.2
81.07054	72.5
83.04985	26.5
83.08624	8.4
85.06567	5.4
91.05485	45.0
93.07047	72.4
95.04963	25.3
95.08604	44.7
97.06531	14.5
98.89899	3.6
99.08164	3.5
105.04513	5.3
105.07024	28.8
107.04946	36.8
107.08601	45.1
109.06512	4.2
109.10168	18.5
111.04452	35.3
111.08099	10.3
117.07035	19.6
119.08582	25.0
121.06453	5.8
121.10158	54.8
123.08093	4.7
123.11772	5.7
129.06998	8.3
130.07744	3.5
131.08578	27.4
133.10162	8.7
135.11681	41.3
145.06491	8.4
145.10114	40.9
147.11665	9.6
149.09610	9.6
149.13217	5.2
153.12767	16.1
155.08575	9.8
159.11710	5.5
161.13274	7.6
163.11182	40.7
173.09616	29.3
173.13182	5.3
173.16478	4.3
181.12201	17.7
181.99687	3.4
191.10623	26.0
205.18597	3.7
209.11636	15.7
227.12756	23.0
243.21123	6.9
261.22144	18.2
262.18069	5.2
265.14316	57.8
272.67511	3.2
281.14188	4.8
283.15378	91.9
301.16446	83.6
335.25784	90.4
451.31558	4.2
515.36823	5.7
525.35547	10.8
543.36829	32.3
561.37842	37.0
596.43829	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	596.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.5
55.05502	19.4
57.03442	20.7
67.05505	100.0
69.07067	21.2
71.45730	7.8
72.02139	7.2
79.05498	76.6
81.03413	9.0
81.07055	88.4
83.04967	22.2
83.08599	14.1
91.05486	48.0
93.07035	73.4
95.04965	18.4
95.08596	63.9
97.06561	14.2
105.07047	34.9
107.04961	30.4
107.08601	43.9
109.06530	9.1
109.10178	18.9
111.04450	19.4
111.08099	13.8
113.06094	8.0
117.07030	27.2
119.08570	15.7
121.10131	31.1
127.93387	6.5
129.06978	8.3
131.08569	24.6
133.10120	15.6
135.11673	43.1
145.10126	52.7
145.21971	7.6
147.11734	10.1
163.11172	63.6
173.09641	18.0
181.12161	16.5
182.55429	6.9
183.23161	7.5
188.39557	6.6
191.10695	23.0
209.11736	10.3
227.12790	60.9
238.19534	7.5
255.68004	7.9
261.22064	15.0
262.17926	16.7
265.14288	30.9
283.15411	89.7
301.16385	14.6
335.25839	91.3
339.52106	7.2
354.85812	6.8
421.23608	9.0
543.36737	77.2
561.37787	70.6
596.35150	19.2
596.43842	10.1
597.27374	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01870	16.4
55.05512	22.5
56.67571	4.1
57.03431	15.6
63.96534	3.9
67.05505	82.7
69.07061	25.7
70.06574	4.2
70.69836	7.3
71.05009	5.5
79.05491	54.7
81.06622	6.9
81.07062	72.5
83.04984	44.1
83.08614	11.8
83.56012	4.0
91.05502	37.9
93.07047	68.6
95.04974	14.7
95.08611	63.8
97.06522	12.5
99.04434	6.3
99.08089	6.6
105.04527	4.9
105.07024	20.7
107.04936	8.6
107.08585	33.8
109.10147	28.2
111.04445	79.2
111.08115	24.8
117.07040	9.5
119.08604	22.3
121.10155	36.9
123.11765	3.9
129.07059	7.0
131.03603	3.7
131.08575	15.9
132.99806	4.0
133.10086	5.9
135.11678	36.7
139.11180	5.4
145.10120	29.6
147.11705	9.3
149.09581	5.8
153.12737	43.2
155.08507	5.4
159.11629	7.1
161.13252	5.0
163.11171	61.5
173.09679	14.9
181.12248	54.7
191.10677	36.6
202.19450	3.9
209.11812	10.7
227.12778	52.2
245.13869	9.5
261.22147	12.8
283.15405	92.0
301.16446	63.7
307.47812	4.2
317.24930	3.9
335.25745	100.0
345.21698	3.6
373.22827	4.2
397.75342	3.9
414.83350	4.4
530.38037	4.1
543.37549	8.3
561.37909	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.1
57.03452	8.0
64.26400	3.8
67.05505	53.3
69.07068	8.7
69.34184	16.5
71.04993	12.4
71.54685	3.5
79.05493	22.5
79.64296	4.3
81.07059	75.9
83.08619	5.2
85.06571	6.4
88.97002	3.8
91.05489	17.9
91.27609	3.7
93.07045	25.1
95.08614	21.5
98.23450	9.0
105.07056	14.5
107.08607	15.5
109.10152	15.8
121.10152	11.0
123.11699	8.7
131.08594	6.1
133.10130	16.4
135.11725	5.7
151.11186	6.3
167.95894	3.9
269.17444	6.3
301.20007	14.7
335.25778	31.5
492.71164	4.4
503.37314	100.0
504.37253	6.7
517.39056	7.1
529.38745	7.4
561.41711	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3038
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03948	0.9
55.01883	0.7
55.05510	11.6
57.03186	0.8
57.03442	8.5
57.07070	1.8
59.28913	0.6
65.03925	0.8
67.05505	27.0
67.05867	1.4
67.72246	0.6
69.07069	15.1
69.61124	1.7
69.61507	1.2
71.04988	0.8
71.08620	0.7
79.05495	7.5
81.03414	2.6
81.07059	26.4
83.08624	6.3
84.21642	0.7
85.02890	0.9
91.05487	4.4
93.07047	7.5
94.90534	0.6
95.08612	19.1
95.09213	1.5
97.06512	1.5
97.10161	3.0
98.23365	1.5
98.98473	12.0
99.04463	0.8
104.10728	1.6
105.06997	3.2
107.08607	3.9
109.02878	3.2
109.10160	8.3
111.08043	0.7
111.11759	0.8
119.08589	3.1
121.10136	3.0
123.11720	2.9
125.09595	0.9
125.24405	0.8
133.10118	2.5
135.11673	1.4
137.13249	1.4
147.11702	1.5
149.13248	0.8
155.01035	3.0
161.13287	1.3
175.14764	0.9
191.86147	0.7
245.22585	1.1
261.03622	2.2
261.44678	0.7
263.23795	1.7
298.18033	0.9
301.20120	1.2
317.06201	0.9
335.07608	1.7
337.27362	100.0
338.27798	2.1
341.73575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3763
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
50.53109	0.7
57.03449	0.7
63.14538	0.6
67.05495	2.7
69.07064	1.4
71.46482	0.7
79.05495	3.4
81.03420	1.2
81.07053	2.5
83.08628	0.8
84.67134	0.8
91.05486	2.4
93.07050	2.8
95.04944	1.0
95.08615	1.2
105.07033	2.0
107.08573	0.9
109.10150	1.0
117.06992	0.8
119.08595	1.7
121.10207	1.3
123.92349	0.7
129.07022	0.7
131.08609	1.0
133.10135	1.0
145.10144	1.1
147.11772	0.7
159.11765	0.8
193.33612	0.7
247.13141	1.5
261.16232	0.7
267.15991	1.3
303.01508	0.7
303.15683	1.6
317.20886	2.8
328.73856	0.7
335.25772	1.5
347.32581	0.7
356.47003	0.8
373.23462	2.9
553.28247	1.0
597.37555	100.0
598.37964	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	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01952	2.9
68.18552	2.7
70.06580	3.5
81.03407	12.0
85.02902	8.3
88.12603	3.1
101.56976	2.8
102.61759	3.0
107.04952	6.4
115.05466	4.8
117.07009	13.1
120.18259	2.8
129.07002	3.6
145.06477	24.9
155.05963	2.9
156.05704	4.5
161.05933	4.1
167.07036	38.8
173.05981	48.6
180.08673	3.6
190.06253	29.4
203.07047	6.3
205.06667	5.0
205.08595	100.0
217.08585	37.7
218.47403	3.1
235.09677	29.3
247.09735	7.2
256.18530	3.1
265.10748	30.4
291.10068	4.1
330.10956	6.2
331.24255	3.2
346.38785	2.8
383.14911	13.1
385.44452	3.2
401.15823	10.7
598.44342	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	1.3
58.06592	3.1
59.98961	1.2
69.03425	5.2
70.06592	5.0
71.07355	1.3
71.45003	1.0
71.45446	1.8
72.08159	1.8
79.05488	1.9
81.03411	1.3
81.07057	2.5
84.08131	11.2
85.02897	6.6
91.05515	1.3
93.07064	2.1
96.08132	4.1
97.02898	2.5
107.08595	1.7
110.09679	10.9
111.10452	2.9
118.96746	1.8
123.04419	8.2
124.11254	4.1
138.12788	1.8
149.06003	4.1
152.14345	2.5
163.07581	2.8
165.09041	1.2
168.13818	2.4
170.11847	2.6
182.15450	2.2
211.15446	1.2
224.16414	2.7
250.15712	1.3
252.19705	2.3
254.60045	1.6
358.23822	4.2
367.22379	1.2
376.24762	30.5
394.25708	1.2
414.41608	1.5
436.26950	12.7
538.29944	16.4
598.32159	100.0
599.32666	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	598.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05512	16.8
57.03431	4.9
57.07064	11.2
61.21467	1.9
65.03943	1.9
67.05505	72.2
69.03439	2.7
69.07070	23.1
70.06589	3.0
70.06821	1.7
70.07139	4.5
71.04984	2.0
71.08624	7.9
79.05492	26.5
79.22240	1.7
81.03420	2.7
81.07056	92.5
83.04984	2.7
83.08620	18.9
85.06534	4.5
85.10163	3.1
86.09691	1.9
91.05481	18.3
93.07043	29.2
95.04952	4.2
95.08604	83.1
95.27306	1.8
97.06526	8.3
97.10155	13.6
99.04449	1.8
99.08114	5.4
104.10743	7.8
105.07038	15.8
105.88799	2.0
107.08590	19.4
109.02863	4.7
109.10152	36.0
110.03650	2.1
111.08090	2.6
111.11697	3.0
113.09632	3.6
116.07091	4.8
117.06995	2.1
119.08570	15.4
121.10155	27.5
123.08054	2.4
123.11709	23.4
127.03939	2.5
131.08571	2.7
133.08905	6.4
133.10135	19.3
134.09221	4.1
135.11699	14.0
137.13252	7.4
141.12732	3.7
147.11659	10.8
149.13242	14.3
151.11206	2.2
151.14813	8.5
155.14284	2.6
157.39862	1.7
161.13274	15.3
163.14828	11.6
165.13022	2.5
165.16399	11.4
173.13231	2.2
175.14850	8.7
177.16403	2.5
179.17961	8.2
181.12228	1.9
189.16376	6.4
191.00092	2.5
203.17941	2.0
245.22649	73.1
245.25099	4.2
255.80011	1.8
262.18060	17.1
263.18463	17.2
263.23709	100.0
264.18756	3.0
265.25198	2.7
281.24484	2.0
319.20862	2.5
337.27377	49.7
338.27548	2.3
350.12119	2.1
355.28424	4.4
355.69913	2.0
376.24231	2.2
408.73245	1.9
563.28693	7.6
597.43445	9.2
598.28613	2.4
598.43707	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3592
Annotation	Zizyphine F
Peak:m/z	Relative Intensity
59.31283	1.9
70.03280	6.5
70.06576	2.2
81.07044	2.4
82.06569	2.2
84.08144	9.9
85.02914	4.5
96.08138	7.4
98.23408	2.9
110.09679	19.8
111.10499	6.3
112.11256	4.2
124.11246	8.6
152.14380	2.9
153.05437	11.8
222.22141	13.3
226.55061	2.4
296.10782	2.3
308.22229	4.4
308.79053	2.3
314.31796	2.1
348.25482	3.2
360.25372	10.7
361.25729	2.5
376.28610	20.6
436.30582	6.7
538.33722	24.3
598.35883	100.0
599.36078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22325	0.4
55.05509	3.0
56.05050	0.7
60.04492	0.4
69.07053	0.7
69.31933	1.0
69.32330	0.9
70.06591	100.0
71.06911	0.6
72.08155	32.7
74.06106	0.3
76.16593	0.3
81.07056	0.6
82.06586	0.6
84.04494	4.2
84.08134	3.8
85.02914	0.6
86.09718	4.8
91.05459	0.8
97.02881	0.4
100.07607	0.7
102.05547	6.4
102.09163	0.8
104.07118	1.7
110.06062	1.0
110.07172	1.7
112.08737	0.5
116.07095	2.7
119.04956	0.5
120.08110	0.9
127.08679	0.7
128.07047	1.3
129.10243	2.4
129.37149	0.3
136.06290	0.4
136.07544	0.6
141.10214	1.1
142.07175	0.3
147.04361	0.8
153.10281	0.9
155.08160	5.8
169.13356	44.0
170.13713	0.6
173.09224	9.9
183.07652	3.3
183.14975	0.5
197.12854	28.4
198.13292	0.6
199.10701	0.9
201.08684	7.6
201.40929	0.4
203.13898	5.0
216.12296	0.4
223.05989	1.5
227.10258	0.9
243.13521	0.4
249.11298	0.9
254.14914	1.1
268.16534	0.6
269.67697	0.4
270.10980	0.5
279.17120	0.6
282.14484	1.2
296.19632	0.6
298.13919	0.5
300.19159	62.4
301.19501	1.0
325.06396	0.4
326.16995	0.6
379.19611	0.9
379.67725	0.4
397.20947	2.1
399.26099	2.6
450.27173	0.6
496.27533	1.4
497.10474	0.8
511.12039	0.6
599.13458	5.7
599.27826	1.6
599.85077	0.5
600.14063	0.5
600.28320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.1
55.05515	69.6
57.07057	8.2
58.62616	3.5
59.04999	4.7
65.03937	4.2
67.05503	46.3
69.03423	25.1
69.07073	27.5
69.86787	12.4
71.04987	10.7
78.44270	3.0
79.05492	32.6
81.07056	46.6
83.04981	31.2
83.08624	69.3
85.06534	7.0
86.09722	4.8
87.04443	7.1
91.05480	54.1
93.07046	82.4
95.04970	40.5
95.08617	61.3
97.06529	50.1
98.23325	5.9
105.04557	4.6
105.07036	94.4
106.07373	4.2
107.04951	5.0
107.08600	87.6
109.06525	18.9
109.10159	42.4
111.08052	10.2
112.82308	3.3
113.09659	25.0
115.05470	6.7
116.06284	4.2
117.07007	18.4
119.04935	4.3
119.06147	3.6
119.08583	91.7
121.06510	14.8
121.10152	95.7
123.08076	28.3
123.11649	8.8
125.09631	31.3
128.06232	16.1
129.06981	15.2
130.07785	8.9
131.08568	48.9
133.06502	6.7
133.10132	43.3
135.08072	19.2
135.11728	18.7
137.09586	5.9
139.11192	32.5
141.06982	10.9
142.07785	27.7
143.08572	46.9
144.09340	14.1
145.10120	62.2
146.07335	5.5
147.08025	13.4
147.11699	26.1
149.09615	27.6
149.13248	6.9
151.07498	9.4
151.11163	4.7
153.07030	6.6
153.12726	7.0
154.07808	4.6
155.08598	23.2
155.10620	25.1
156.09320	21.1
156.10522	3.6
157.10130	72.0
158.10884	6.1
159.08023	19.3
159.11743	31.8
161.09628	21.1
161.13251	10.0
163.11192	10.7
163.14815	4.3
165.07054	5.6
165.09061	9.0
166.07767	5.1
167.08546	13.8
167.10683	100.0
167.12000	6.4
168.09378	8.8
169.10144	41.4
170.10936	12.4
171.11703	32.6
172.12383	4.9
173.09654	6.8
173.13210	29.0
175.11171	7.0
175.14789	6.0
179.08574	17.6
179.14285	6.8
180.09360	6.1
181.10141	28.3
181.12224	27.4
182.10895	13.4
183.11700	37.8
184.12442	5.2
185.09595	4.5
185.13242	14.2
187.11163	5.5
187.14835	8.8
189.12769	10.9
191.14314	11.0
192.09329	7.3
193.10112	20.5
194.10934	17.7
195.11702	31.0
195.13686	7.0
196.12447	10.7
197.09555	4.4
197.13225	24.9
199.14818	18.3
201.12680	7.5
201.16368	4.1
203.08595	4.7
203.14253	6.9
205.10115	4.5
206.10844	8.6
207.11714	21.7
207.13692	8.4
208.12477	9.9
209.13283	43.0
209.15251	7.5
210.14037	4.2
211.11317	4.0
211.14793	15.7
215.14339	5.6
217.10187	3.9
217.15910	13.5
219.11688	11.3
220.12433	8.1
221.13232	24.3
221.15402	31.2
222.13889	6.1
223.14792	20.4
225.16428	8.7
227.14268	4.5
229.10132	3.8
231.11700	6.1
232.12381	4.1
233.13266	12.6
233.15372	52.2
234.13882	6.2
235.14731	11.6
235.16814	4.0
237.16295	8.7
243.11737	4.5
243.17476	5.0
244.12424	5.0
245.13264	6.9
245.15561	7.8
247.14853	11.2
247.17059	4.5
249.16342	14.3
251.18044	4.0
253.15871	5.7
257.18927	5.7
259.14636	6.1
259.17044	5.0
261.16235	6.4
263.17999	6.4
265.19504	6.8
269.19135	6.7
273.16147	6.8
275.17883	5.7
281.18954	6.1
283.20621	5.4
285.18533	15.9
299.20325	21.8
305.18878	4.1
307.20483	4.3
313.21680	5.0
317.35599	3.6
325.21893	4.2
333.22034	5.0
377.25018	8.7
383.26163	5.7
391.26273	5.4
413.28131	4.8
431.29312	9.9
479.21475	7.1
581.39691	22.8
599.41370	83.2
600.41168	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	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
57.07081	4.4
65.03947	1.8
66.69720	1.7
67.05507	17.7
69.03424	5.2
69.07061	10.3
69.62608	3.6
69.62992	3.7
79.05495	15.2
81.07064	23.9
83.04972	9.1
83.08640	5.7
85.06562	5.5
86.24736	1.7
91.05482	17.8
93.07054	28.3
94.26952	1.6
95.04960	15.1
95.08604	19.0
97.06544	5.5
102.04388	1.6
103.05516	3.1
105.04516	1.8
105.07031	33.1
107.08599	25.5
109.06525	8.4
109.10175	10.0
111.08092	2.8
115.05478	2.9
117.07027	8.7
119.08580	35.4
121.06553	9.5
121.10130	28.9
122.10567	1.9
123.08105	8.0
123.11731	3.2
125.06069	3.9
125.09652	5.3
128.06259	6.4
129.07043	9.6
131.08571	17.5
133.06519	2.3
133.10138	19.8
135.08057	10.7
135.11740	7.1
137.09653	7.4
139.07585	3.0
139.11166	3.5
141.07021	5.0
142.07748	9.8
143.08565	23.5
144.09366	6.6
145.06479	2.2
145.10126	22.4
147.08083	11.4
147.11732	7.7
149.09624	13.8
149.13272	1.8
151.07529	9.9
153.06999	2.0
153.09203	2.3
155.08595	7.5
155.10625	2.0
156.09387	8.8
157.10118	23.6
158.10930	3.6
159.08093	6.5
159.11705	13.9
161.09657	6.7
161.13272	4.0
163.11244	7.6
165.06976	2.5
165.09135	14.2
166.90323	1.7
167.08609	3.4
167.10696	23.2
168.09415	4.3
169.10085	13.8
170.10947	2.4
171.11732	13.8
173.09673	4.8
173.13292	6.5
175.11223	5.2
175.14905	2.6
177.09058	2.6
179.08632	3.6
180.09370	3.8
181.10156	6.6
181.12346	5.3
182.10945	5.2
183.11697	12.5
184.12433	1.8
185.09659	3.8
185.13295	6.5
187.11217	7.1
187.14841	4.1
189.12837	5.6
191.14354	3.6
193.08195	1.7
193.10168	7.8
194.10941	4.1
195.11684	9.7
195.13506	1.8
196.12480	3.2
197.13225	10.7
199.11270	4.2
199.14795	2.8
201.12730	3.6
203.14357	6.1
205.10162	2.2
207.11719	8.4
207.13887	8.5
208.12440	2.3
209.13309	14.0
209.15222	3.1
211.11298	2.9
211.14777	5.0
213.12845	3.3
215.14415	3.9
217.15981	2.3
219.11845	3.2
220.12404	1.8
221.13336	7.7
221.15433	26.8
223.14867	5.2
225.12770	2.9
225.16350	2.7
229.10069	2.2
231.11728	2.4
233.13252	4.0
233.15347	28.0
234.14029	3.5
235.14885	4.4
237.12755	2.6
237.16649	3.6
241.15962	3.0
243.11597	2.7
245.13245	4.0
246.14246	2.0
247.14879	3.2
247.17203	3.1
249.16527	4.3
251.18001	2.0
259.14838	2.3
261.16403	3.0
273.16278	2.8
281.19098	7.5
286.19354	2.2
287.20392	2.7
299.20245	2.7
364.24051	3.1
365.24954	2.0
373.25305	3.2
391.26349	3.8
489.33524	3.8
507.34625	52.5
508.34540	3.0
557.55286	2.2
581.40173	8.3
599.40973	100.0
599.50165	7.2
600.41339	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.9
69.03442	1.0
70.06595	3.4
71.49523	0.3
72.08154	1.8
76.47962	0.3
79.05505	0.5
81.07060	0.9
84.04530	0.4
84.08151	1.1
85.02901	2.1
86.09711	2.6
91.05478	1.5
93.07053	0.6
95.08595	0.7
97.02946	0.9
98.09727	0.4
101.07159	0.4
105.07011	1.1
107.04960	1.2
110.07186	0.7
115.05461	0.7
115.08671	0.4
116.06233	0.4
117.06998	0.6
119.08580	0.4
120.08088	1.0
123.04444	0.7
127.03871	0.5
128.06230	1.2
129.07010	5.2
129.10286	0.6
131.08574	5.6
133.06500	1.3
135.08060	0.4
136.07635	0.4
141.07011	1.9
142.07822	0.4
143.08553	1.2
144.05702	1.8
145.06462	1.5
146.07278	0.9
147.04379	1.3
153.07036	0.6
155.06041	0.7
156.05779	0.4
157.06514	3.0
158.07317	0.5
159.08063	10.2
161.09636	2.8
167.07065	4.1
169.06364	0.5
169.07619	1.5
170.07262	1.7
171.08032	1.8
172.05214	1.3
173.06001	1.4
174.06746	0.6
175.07541	0.9
178.06241	0.5
180.08690	0.8
187.07526	7.3
188.08247	0.6
189.05444	0.5
189.09108	3.4
191.07033	0.5
193.08557	0.5
198.06703	0.6
199.07504	1.2
201.05496	0.7
203.07069	1.2
204.07838	3.9
204.09879	0.4
204.10272	0.4
205.08505	0.6
216.07829	1.2
217.08606	0.5
218.09261	0.5
219.10138	2.1
221.11812	1.2
223.16959	0.6
231.10172	3.4
234.08656	0.5
237.11293	1.0
249.11229	100.0
250.11655	2.0
267.12292	2.2
463.09192	0.4
498.10385	0.6
538.09460	0.5
582.12921	1.0
600.14581	2.3
600.23157	0.4
600.34265	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30025	0.3
55.05494	0.5
57.03435	0.3
57.64975	0.2
67.05494	0.4
67.52932	0.2
69.03426	0.5
69.14744	1.8
70.06591	2.1
72.08141	0.9
81.07069	0.3
83.08630	0.3
84.08141	0.5
85.02872	0.7
86.09695	1.0
91.05470	1.3
93.06998	0.3
95.04961	0.3
96.08125	0.4
97.02892	0.4
97.66071	0.2
100.11262	0.8
103.05416	0.3
105.07020	0.9
107.04935	1.0
115.05461	0.9
116.06223	0.5
117.06993	0.7
119.08591	0.2
120.08044	0.2
123.04398	0.3
128.06195	2.1
128.07086	0.3
129.07007	5.3
129.10248	0.6
131.04886	0.4
131.08551	6.0
133.06456	0.7
133.10127	0.6
141.06947	1.8
142.07745	0.4
143.04907	0.3
143.08600	1.2
144.05678	2.2
145.06479	1.7
146.07257	0.7
147.04391	0.9
153.05562	0.4
153.06963	0.8
155.06026	0.6
156.05664	0.4
157.06487	3.2
158.07253	0.7
159.08047	10.3
161.05957	0.8
161.09579	2.5
167.07028	3.5
169.06342	0.6
169.07597	1.0
170.07285	1.8
171.08035	2.0
172.05186	1.0
173.05959	1.7
173.09558	0.4
174.06706	0.4
175.07533	1.0
178.06262	0.3
182.15398	0.8
186.06743	0.3
187.07529	8.9
188.08257	0.5
189.05521	0.5
189.09082	3.8
190.06258	0.4
191.07011	0.5
192.07881	0.4
193.08574	0.5
198.06813	0.7
199.07484	1.1
201.05357	0.3
203.07011	1.4
204.07790	5.3
205.08597	1.2
206.09238	0.4
207.10083	0.4
210.14853	0.9
211.15279	0.5
216.07756	1.3
217.08571	0.5
218.09404	0.5
219.10167	1.7
221.11658	1.1
231.10176	3.1
233.11720	1.1
234.08876	0.5
237.11095	0.8
249.11206	100.0
250.11574	2.1
251.12808	1.8
267.12262	2.6
412.92679	0.3
497.10077	0.4
540.30975	0.3
582.12683	0.4
599.41406	0.9
600.13751	1.9
600.26257	0.8
600.33673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
55.74063	0.2
57.81217	0.2
63.93931	0.2
65.19525	0.2
65.97394	0.2
67.05478	0.2
68.39151	0.2
69.03427	0.7
70.06235	0.3
70.06594	4.3
71.06933	0.2
72.08148	1.2
76.26912	0.2
77.02566	0.2
79.05486	0.5
81.03421	0.2
84.04487	0.5
84.08134	0.9
85.02904	1.8
86.09721	2.3
87.10043	0.2
88.27309	0.2
91.05480	1.4
94.43793	0.2
95.06148	0.2
95.11064	0.2
97.02898	0.8
102.21126	0.2
103.05480	0.4
103.83040	0.2
103.88893	0.2
105.07024	0.6
107.04977	0.5
109.02930	0.2
115.05450	0.9
116.06255	0.5
117.07015	0.7
119.04945	0.4
120.08115	0.5
121.06538	0.3
123.04420	0.4
127.03936	0.4
128.06236	1.6
129.07014	4.2
129.10236	0.6
131.04967	1.2
131.08566	5.6
132.05702	0.4
133.06479	0.9
133.10141	0.5
136.06187	0.3
136.07623	0.3
141.07001	1.7
142.07811	0.6
143.08549	1.1
144.05690	1.9
145.05382	0.2
145.06467	1.6
146.07240	0.8
147.04410	1.5
153.06995	0.4
155.06056	0.5
156.05716	0.4
157.06482	2.1
158.07269	0.3
159.08064	11.0
161.05988	1.0
161.09636	2.6
162.07642	0.3
163.07565	1.1
165.24608	0.3
167.07030	1.0
169.06390	0.4
169.06622	0.3
169.07622	1.4
170.07243	1.5
171.08044	2.0
172.05194	1.1
173.05962	1.6
174.06732	0.6
175.07535	0.7
177.05460	0.3
180.08699	0.7
185.05984	0.4
186.06789	0.4
187.07549	8.8
188.08218	0.5
189.05507	0.6
189.09109	3.4
190.06252	0.6
191.06987	0.5
193.08598	0.6
198.06769	0.7
199.07475	1.1
201.05440	0.3
203.07057	1.5
203.10262	0.2
204.07834	5.4
204.09854	0.2
205.08594	0.9
206.09375	0.5
207.10147	0.2
216.07858	1.3
217.08603	0.4
218.09357	0.4
219.10191	1.9
221.11739	1.1
223.06012	0.9
231.10170	2.5
233.11595	0.2
234.08824	0.3
237.11148	1.0
249.11220	100.0
250.11557	2.2
267.12234	2.2
284.19489	0.2
315.13428	0.5
349.49503	0.2
351.18719	0.2
356.87796	0.2
372.36108	0.2
582.12793	0.6
599.44379	0.2
600.14191	1.5
600.27679	1.5
601.14813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.05022	0.3
58.06580	0.5
64.01942	0.2
65.03943	1.2
69.03421	0.7
69.84197	0.2
70.06236	0.3
70.06592	4.0
71.06873	0.3
72.07792	0.4
72.08157	6.4
72.89185	0.2
75.09231	0.5
76.63185	0.2
81.07067	0.4
84.04499	0.7
84.08150	2.5
85.02917	0.3
86.09708	3.6
91.05484	7.8
97.02931	0.3
98.06041	0.4
98.09686	0.4
98.97535	0.2
110.07178	0.6
112.11238	2.6
113.05959	0.2
119.04943	21.1
119.08531	0.3
120.05283	0.4
120.08099	0.3
121.02841	0.9
123.04489	0.3
127.03934	0.3
127.08656	0.3
129.10239	0.9
129.13875	1.6
146.16493	1.2
147.04408	100.0
148.04761	2.1
149.05957	0.4
154.12251	0.5
155.08241	0.4
155.11792	1.1
159.26312	0.2
163.03761	0.2
172.14456	0.3
177.77142	0.2
179.87982	0.3
197.63559	0.2
203.11823	1.0
204.10201	25.1
205.10509	0.5
218.11763	3.7
221.12837	0.5
229.79985	0.3
245.18567	0.9
275.17520	1.9
292.20203	5.1
360.25742	0.3
420.23053	0.4
437.23059	0.7
438.23901	7.8
454.25488	2.3
583.25909	0.4
600.29102	58.7
601.18872	1.6
601.29364	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05522	5.2
58.99586	16.7
63.48069	0.9
67.05504	8.5
69.07066	5.4
70.31272	1.3
76.02226	72.6
76.03980	2.5
79.05509	5.1
80.05004	0.9
81.07064	10.0
81.89887	0.9
83.05007	2.0
83.06110	1.2
83.08632	1.5
84.04500	13.1
86.99061	3.8
88.02209	1.0
91.05509	5.6
93.07042	8.2
95.04980	2.8
95.08598	6.6
97.06524	1.1
97.10187	1.7
105.07014	8.2
107.04971	2.2
107.08596	5.1
109.06536	3.0
109.10167	2.9
116.01673	20.7
116.02441	1.3
117.07023	2.3
119.08555	4.3
121.06521	3.2
121.10125	3.4
123.08082	2.2
129.06601	2.6
130.04991	7.6
131.08560	5.4
133.06487	1.4
133.10126	8.6
135.08044	1.9
135.11700	1.4
142.03262	5.9
143.08560	1.2
144.01143	12.3
145.10126	3.8
147.08093	2.0
147.11688	5.0
149.09618	3.2
149.13275	1.4
151.11151	2.2
157.10094	0.9
159.11685	2.8
162.02202	45.0
163.11176	2.4
170.02718	2.5
171.11728	1.8
172.39687	0.9
173.13333	1.4
175.11235	1.4
176.61684	1.0
177.12785	1.0
179.04849	100.0
187.05351	2.7
201.12798	1.1
215.04858	2.2
219.13889	1.5
233.05925	11.7
239.18056	1.1
245.05919	3.7
247.20613	1.2
251.73671	0.9
257.19058	3.1
273.18469	3.2
275.20059	29.8
291.06454	1.8
291.19583	3.4
293.21097	19.4
308.09094	32.9
368.22549	10.2
453.24072	6.2
471.25089	1.4
505.47528	1.0
525.26099	3.7
600.29419	9.2
622.48230	1.0
625.43555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44423	1.2
55.05505	4.3
56.05028	1.8
58.99606	1.9
59.02028	1.1
66.42268	1.1
67.05506	12.6
68.79667	1.5
69.07071	3.6
70.06590	4.2
71.05008	1.3
74.00667	1.8
76.02220	2.3
79.05486	7.2
81.03417	1.4
81.07053	19.8
83.06103	1.9
83.08608	3.0
84.04516	3.6
85.01116	1.4
86.00646	1.6
91.05492	5.7
93.07042	9.3
95.04931	2.9
95.08603	9.5
97.01096	2.0
97.06540	1.8
97.10197	1.6
99.01443	3.1
100.02191	6.0
105.07020	7.9
107.05021	1.5
107.08596	7.2
109.06505	3.2
109.10159	5.5
111.08079	1.6
112.02176	6.6
114.03754	6.7
114.94703	1.3
116.01658	1.6
119.08576	6.8
120.08123	2.2
121.10150	3.8
123.08047	1.5
123.11717	1.7
123.59563	1.2
126.03769	2.1
130.05090	1.3
131.08595	4.2
133.10141	5.1
135.11734	1.9
137.09642	1.2
139.05760	1.9
140.05322	4.4
145.10129	4.3
147.11707	3.6
149.13326	1.5
152.05286	1.8
159.11702	2.6
168.08426	14.6
171.11671	1.9
173.11765	1.4
173.13251	2.8
181.06017	1.3
185.03851	1.9
202.04074	2.4
209.15465	1.8
213.40938	1.3
216.05708	2.3
224.11029	1.4
229.14351	3.5
231.04333	4.2
241.06512	1.8
242.12157	5.3
255.07869	2.0
264.14209	4.0
265.14948	1.4
270.10422	5.0
275.20023	7.6
282.15259	28.3
307.17358	1.4
323.15775	1.6
333.18872	2.3
344.14191	1.6
350.21387	8.1
351.19940	2.2
368.22522	11.9
378.21271	1.5
384.17133	11.0
387.90106	1.5
453.24146	100.0
454.24649	5.6
525.26245	5.8
600.29163	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	600.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.05034	1.0
57.07062	0.6
57.53315	0.6
58.06602	1.2
60.08163	6.7
67.05508	4.4
69.07070	1.4
70.52611	0.5
71.07374	5.4
72.08178	0.7
79.05487	2.1
81.07050	4.6
83.08603	0.6
85.06545	0.8
86.09708	23.2
88.47864	0.5
91.05472	2.9
93.07057	3.9
95.04990	0.9
95.08622	3.3
102.09167	0.9
104.10745	100.0
105.07037	1.9
107.08595	1.8
109.10159	1.9
117.06982	0.6
119.08575	1.4
121.10134	2.0
125.00021	2.7
131.01921	0.7
131.08606	1.2
133.10104	1.1
135.11678	0.8
137.09595	0.6
143.08559	0.9
146.98215	2.6
147.11694	0.6
156.97525	2.1
157.10223	0.7
159.11670	0.6
161.13324	0.8
163.11111	0.7
164.97993	0.6
167.10594	1.1
171.11629	0.7
174.98550	1.2
181.02608	1.1
182.99052	8.4
184.07341	1.0
198.98549	0.8
201.00107	10.9
204.10913	0.6
221.00658	1.1
221.15410	1.2
225.00151	2.1
233.15392	0.9
239.01660	6.3
240.09946	3.5
243.01172	3.5
266.06464	2.0
268.00446	0.8
284.07520	4.7
301.20212	5.0
302.20126	0.6
307.09351	0.7
319.21210	2.8
322.01645	1.0
335.25858	1.4
357.72702	0.7
455.20602	1.6
481.23111	3.0
484.26813	3.6
500.31537	0.9
507.34641	0.6
508.35342	1.5
540.29956	6.2
582.30359	1.0
599.49847	0.7
600.24023	0.6
600.31268	7.2
600.41266	3.5
600.49829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
56.05030	1.0
57.03439	1.2
57.07077	4.7
60.08165	4.5
67.05506	4.9
69.07065	1.9
69.27821	1.8
69.28231	2.5
71.07366	4.7
71.08625	3.1
79.05500	1.4
81.07050	5.3
83.08612	2.7
84.14162	0.7
85.10174	1.6
86.09710	23.0
86.10224	1.7
88.99455	0.7
91.05502	1.3
93.07047	1.9
95.08620	5.5
97.10120	1.1
104.10743	100.0
105.06998	1.0
105.11066	0.9
107.08629	1.7
109.10165	2.5
111.25386	0.7
116.21211	0.7
119.08590	1.4
121.10157	1.5
128.83730	0.7
131.50648	0.8
133.10110	1.2
145.10162	0.9
145.76732	0.7
146.98186	17.0
150.82765	0.7
179.30554	0.6
198.97479	1.6
203.00789	10.2
206.05536	1.3
245.22644	1.5
262.08148	8.4
263.23743	1.6
275.97638	0.7
302.07428	0.7
313.27377	9.8
337.27505	1.5
344.07397	1.1
348.64905	0.7
437.20404	34.6
438.20718	0.9
459.24829	31.0
459.31360	1.6
460.25162	1.0
515.22028	1.1
518.32172	63.5
519.32391	2.3
550.18658	0.8
598.76611	0.9
600.31104	7.5
600.40588	1.2
600.50482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25098	15.1
59.04977	19.4
67.05503	33.6
69.68611	61.4
78.56464	14.7
79.05486	33.0
81.07047	28.0
87.23089	14.8
89.06048	28.3
91.05500	42.2
93.07040	43.1
95.05000	20.8
95.08602	38.2
98.22680	21.3
99.38900	16.7
105.07044	51.3
107.08606	58.7
117.07040	19.7
119.08590	43.4
121.10102	30.7
123.08015	15.4
129.07025	25.3
130.71100	17.8
131.08490	22.3
133.08582	40.2
133.10159	45.7
142.07741	25.3
143.08572	30.4
145.10115	47.5
147.07936	21.0
157.10130	67.6
159.11758	33.3
165.09129	34.2
171.11803	15.9
175.11241	22.6
195.11806	22.0
208.14343	19.7
221.15327	84.6
225.12978	18.5
237.14783	23.6
243.17365	17.3
255.17607	24.2
286.19388	26.7
303.19525	62.1
331.89517	16.6
352.24002	100.0
456.75833	17.2
520.35376	54.4
600.50348	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.4
55.05506	18.0
55.37699	4.1
55.76352	4.0
57.07069	12.2
58.58197	3.9
64.96415	3.8
67.05505	32.6
69.03419	15.0
69.07067	13.7
70.07216	4.1
70.62951	6.8
72.35594	3.5
77.78316	5.0
79.05496	26.5
79.05885	3.9
81.07052	40.4
83.04974	14.0
83.08619	9.9
84.12483	3.6
85.06528	8.0
86.88784	3.6
89.06042	11.9
89.62873	4.2
91.05486	40.3
93.07042	56.1
95.04979	21.2
95.08611	41.1
97.06528	18.4
105.07030	75.3
107.04937	5.5
107.08599	46.8
109.06493	20.5
109.10159	22.2
111.08092	6.1
111.53948	3.8
113.09641	4.8
117.07016	15.5
119.08584	63.9
121.06496	8.4
121.10137	39.6
123.08083	29.8
123.11686	6.0
125.09620	5.2
128.06226	14.6
129.07016	22.3
130.07808	6.3
131.08563	38.1
133.06514	6.0
133.08601	10.0
133.10121	33.8
135.08029	20.4
135.11734	10.0
137.09610	13.8
141.07019	9.8
142.07755	22.7
143.08546	41.6
144.09341	7.1
145.10121	55.5
147.08043	25.5
147.11684	13.6
149.09631	17.3
151.07567	15.1
153.09053	4.5
155.08533	11.9
156.09354	18.0
157.10121	69.0
158.10809	6.1
159.08072	15.1
159.11690	34.6
160.08780	8.6
161.09631	14.4
161.13257	8.4
162.10471	4.3
163.11211	16.7
165.07057	8.0
165.09114	34.1
166.09491	4.4
167.08615	8.3
167.10690	15.8
168.09335	4.4
169.10130	17.5
170.10817	7.0
171.11705	30.7
172.12378	5.1
173.09619	11.0
173.13242	12.5
175.11169	21.2
177.11214	4.6
177.12703	8.1
179.08620	9.4
180.09402	9.9
181.10156	15.7
181.12254	13.1
182.10814	8.0
183.11674	20.1
184.08632	4.6
184.12318	6.8
185.13239	26.0
187.11183	9.8
187.14861	6.1
189.12784	7.8
190.13571	11.3
191.14323	5.0
193.10158	12.7
193.12222	6.2
195.11719	19.6
195.13733	5.1
196.12422	6.1
197.13251	20.7
199.11209	11.3
199.14830	12.7
201.12706	8.2
203.08563	4.6
203.14310	16.5
207.11658	13.8
207.13829	14.0
209.13214	19.8
210.13829	5.0
211.11159	6.2
211.14787	8.8
213.12941	5.4
215.14322	5.6
217.15915	5.2
219.11766	5.5
219.13911	4.6
220.12292	6.3
221.13313	8.4
221.15343	73.9
222.15742	9.9
223.14842	9.8
225.12819	8.7
225.16316	7.8
227.14406	6.5
233.13159	11.8
233.15436	13.9
234.16122	8.7
235.14815	8.6
237.12659	4.9
237.14824	16.5
239.18068	5.0
246.14151	6.0
247.17026	4.9
248.14023	6.8
249.16318	5.9
253.15939	6.5
255.17506	22.6
261.16373	8.9
267.11981	21.0
267.17429	5.8
269.19028	8.0
274.19238	6.8
281.18976	10.0
286.19235	8.0
287.20126	9.2
299.20099	14.3
303.19440	24.2
307.14896	4.6
311.19843	7.2
312.20703	6.3
313.21591	13.9
325.21521	22.2
352.23895	44.6
360.24567	4.8
365.25034	26.7
365.28848	4.4
383.25943	6.0
502.34271	7.0
507.34546	26.4
508.34464	5.5
520.35382	28.4
582.40680	8.1
600.34161	6.2
600.41443	16.3
601.36951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35577	6.2
55.05514	13.4
57.07075	33.7
58.81609	5.7
61.55266	5.7
64.61212	6.2
67.05505	10.9
67.85030	6.6
69.07066	12.1
69.23000	39.3
69.96960	6.4
71.08624	12.7
73.06555	8.9
73.53256	7.0
79.05490	8.2
81.07058	22.2
83.04912	6.9
83.08626	7.0
84.97241	6.6
85.10174	10.7
87.04479	10.7
89.06034	100.0
91.05476	20.0
93.07064	37.1
95.04971	8.2
95.08639	17.7
105.07063	35.6
107.08595	31.0
109.06561	6.6
109.10172	11.0
109.62770	7.1
111.07967	7.3
119.08607	37.3
121.06490	7.4
121.10146	21.2
121.58666	5.9
123.08067	10.9
129.07030	9.3
131.07124	7.6
131.08534	20.4
133.08604	47.1
133.10120	23.1
135.07921	6.0
141.07031	8.7
142.07794	7.7
143.08568	24.4
144.09357	9.3
145.10130	27.7
147.11649	11.1
155.08595	15.0
156.09329	12.5
157.10144	33.4
158.10951	7.4
159.08080	8.0
159.11708	19.8
161.09607	10.3
165.07016	8.6
167.08614	7.6
169.10164	13.3
171.11714	12.5
173.13240	7.9
175.11166	6.9
177.11227	27.2
179.08542	8.2
181.10100	10.4
183.11674	11.7
185.13213	9.2
193.10083	9.9
195.11557	12.1
197.13269	14.7
199.15057	7.6
211.14809	8.1
215.14191	6.5
221.15424	11.4
222.14052	7.7
223.14830	8.7
235.14836	7.6
255.17389	15.1
257.24765	9.4
415.25372	20.1
583.44299	8.6
614.93292	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	600.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58806	9.0
55.05524	12.6
56.34395	8.6
57.03441	8.8
57.07070	19.2
59.32638	8.6
64.05386	9.3
67.05505	30.9
69.03455	9.5
69.07084	13.7
69.77038	18.8
69.77385	19.3
79.05508	22.9
81.07077	28.5
83.04976	14.7
89.06046	20.0
91.05499	39.7
93.07060	59.8
95.04972	20.6
95.08607	32.6
97.06590	9.4
105.07035	73.3
107.08607	53.5
109.06460	13.0
109.10160	13.8
117.07021	17.8
119.08594	61.7
119.30894	10.5
121.10168	34.5
123.08104	20.3
129.07033	23.5
131.08574	45.3
133.06516	14.3
133.08586	12.5
133.10149	41.0
135.08041	25.4
135.11760	9.3
142.07768	20.4
143.08574	31.2
144.09348	14.0
145.10124	48.2
147.08061	26.7
147.11693	14.7
149.09659	16.9
151.07574	19.8
155.08594	11.4
157.10149	56.8
158.10945	12.1
159.08109	16.9
159.11743	25.9
161.09642	29.4
163.11177	18.6
165.09137	33.2
167.08591	17.6
167.10677	10.6
169.10147	23.3
170.10960	10.1
171.11739	25.5
172.12462	11.5
173.09711	15.5
173.13289	11.3
175.11244	19.8
179.08664	10.6
181.10089	10.6
181.12189	9.1
183.11649	19.5
185.13298	25.4
187.11174	10.9
189.12746	16.2
190.13449	12.1
193.10133	9.8
195.11723	22.3
197.13271	16.9
203.14355	27.6
207.11781	14.2
208.14687	10.5
209.13374	26.5
221.13484	14.8
221.15399	77.2
223.14900	11.3
233.15395	15.3
235.14780	13.4
237.14932	32.1
247.17044	13.3
255.17470	31.4
286.19275	17.9
299.20297	14.6
303.19675	59.3
313.21545	10.7
325.21359	10.6
352.23978	100.0
365.24982	21.9
515.03693	9.6
520.35535	45.6
600.41827	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09697	8.4
55.05501	39.6
57.03426	6.9
57.07073	9.8
67.05505	93.3
68.05839	11.8
69.03418	18.6
69.07067	29.0
79.05486	42.9
81.07056	83.6
83.04986	28.5
83.08626	34.7
85.06535	10.2
89.06013	38.6
91.05480	57.2
93.07055	78.1
95.04966	43.7
95.08606	76.2
97.06532	31.6
105.04510	9.1
105.07035	100.0
107.08601	86.4
109.06535	19.5
109.10122	40.5
110.10513	7.3
111.08118	11.7
113.09630	14.5
115.05415	8.0
117.07028	23.1
119.05038	7.6
119.08570	89.7
121.06480	16.8
121.10146	77.4
122.10497	11.8
123.08061	36.7
123.11712	17.1
125.09652	21.7
129.06999	22.3
131.08574	54.5
133.08589	21.2
133.10127	59.3
135.08028	18.2
135.11693	17.0
137.09608	8.3
139.11186	15.2
141.07016	12.3
142.07784	30.2
143.08569	55.1
144.09213	13.9
145.10124	65.2
147.08026	17.2
147.11696	21.3
149.09622	20.0
149.13350	8.9
155.08543	18.8
155.10727	20.0
156.09337	22.3
157.10098	74.3
158.10564	8.5
159.08066	26.9
159.11696	41.0
160.08687	9.1
161.09677	13.6
161.13269	14.0
165.07018	7.2
165.09099	9.6
167.08575	16.5
167.10641	34.8
168.09299	7.8
169.10138	39.1
170.10866	13.7
171.11719	34.7
173.09601	10.0
173.13277	28.8
174.10336	8.0
174.25168	7.2
175.11179	13.3
175.14977	7.8
177.11328	9.5
179.08528	12.8
180.09258	13.4
181.10101	24.4
181.12292	13.7
182.10918	18.1
183.11760	37.6
184.12357	10.7
185.13310	26.6
186.13849	8.1
187.11153	14.3
187.14890	9.5
189.12733	9.3
192.09358	8.9
193.10211	14.0
193.12070	8.2
194.10909	9.3
195.11653	35.2
196.12364	9.3
197.13258	32.8
199.14842	26.0
201.12721	10.2
207.11598	13.8
209.13252	32.1
210.13792	11.7
211.14844	16.6
213.12849	9.6
220.12505	10.0
221.13391	14.7
221.15428	21.5
222.13896	8.9
223.14850	23.1
224.15540	7.2
225.16374	15.7
226.13570	7.7
231.11516	8.0
233.13269	8.4
233.15379	29.8
234.15997	10.9
235.14737	10.7
241.15817	8.7
249.16403	10.4
255.17453	23.4
265.19592	8.8
273.40668	6.8
281.18826	10.0
291.21085	8.5
299.20294	11.4
313.21420	8.4
381.56921	8.2
383.25449	7.7
406.22153	7.8
415.24945	11.0
486.21786	8.3
582.39630	11.7
599.83325	7.7
600.41089	35.9
600.50494	26.4
601.36273	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.05509	19.7
56.53311	2.8
57.07077	8.9
58.39902	2.7
65.03933	5.0
67.05506	29.0
69.03432	10.8
69.07071	16.5
69.69115	2.7
69.69485	12.3
70.44186	3.2
71.04983	3.7
77.03913	3.3
79.05498	35.1
81.07063	36.7
83.04987	21.0
83.08611	11.1
85.02937	4.6
85.06541	7.4
87.04465	6.1
89.06023	7.8
89.50883	2.7
91.04944	4.4
91.05483	56.8
93.07048	65.0
94.07851	3.3
95.04978	29.9
95.08611	23.2
97.06528	18.9
103.05456	5.7
105.04523	3.7
105.07037	100.0
107.04950	5.0
107.08597	64.7
109.06534	16.5
109.10151	34.8
111.08093	5.7
113.05985	3.0
113.09658	4.0
115.05446	8.6
117.07030	21.9
119.08595	72.6
121.06504	15.0
121.10147	42.9
121.12646	4.1
123.08078	22.5
123.11695	3.4
125.09631	14.0
127.07652	3.1
128.06194	19.8
129.07019	25.1
130.07774	10.6
131.08575	46.2
132.09270	2.8
133.06480	7.6
133.10120	47.1
135.08049	17.8
135.11673	11.7
137.09589	8.7
139.11246	3.5
141.06972	18.2
142.07796	38.2
143.08583	56.3
144.09367	19.6
145.06465	7.3
145.10132	69.1
147.08063	13.1
147.11707	19.1
149.09602	13.9
151.07521	9.0
153.06966	4.8
154.07748	6.4
155.08606	21.5
155.10681	9.7
156.09372	26.5
157.10130	71.1
158.10886	10.1
159.08052	21.3
159.11713	36.1
160.08823	8.0
161.09637	16.2
161.13272	6.8
163.11208	11.1
165.07027	12.8
165.09128	9.1
166.07742	5.2
167.08618	15.8
167.10675	11.6
168.09297	6.6
169.10136	31.5
170.10930	13.2
171.11696	45.5
172.08694	4.1
172.12421	3.6
173.09671	10.1
173.13245	21.7
175.11163	19.8
175.14801	8.2
178.07956	3.5
179.08530	12.4
180.09348	9.7
181.10144	19.6
181.12288	6.1
182.10901	12.7
183.11702	29.5
184.12387	6.1
185.09631	7.3
185.13226	21.8
187.11229	8.6
187.14828	11.9
189.12712	7.4
190.13513	6.2
191.14389	4.7
192.09265	4.8
193.10173	16.6
194.10873	9.2
195.11694	26.0
196.12459	10.1
197.09605	3.6
197.13229	28.8
198.10443	3.8
199.11142	10.7
199.14795	18.6
201.12720	9.2
203.14316	13.7
206.10912	6.0
207.11667	18.1
207.13651	6.6
208.12474	9.2
209.09694	4.1
209.13235	24.1
209.15315	6.4
210.13971	7.0
211.11150	5.8
211.14795	19.0
213.12718	12.1
213.16437	4.3
215.14323	8.0
217.10126	4.5
217.15909	3.3
219.11711	8.0
220.12474	8.5
221.13226	17.2
221.15396	28.5
222.13959	5.3
223.14827	19.0
225.12788	5.3
225.16388	7.7
227.14297	8.4
229.15889	4.0
231.11748	4.4
232.12285	3.5
233.13245	8.3
233.15378	26.3
234.16058	9.0
235.14812	12.0
237.12772	4.4
237.16435	11.8
239.14249	6.4
239.17871	3.8
241.07756	3.4
241.15868	3.2
243.11748	3.7
246.14000	3.6
247.14787	8.5
247.17062	5.0
249.16408	10.9
251.14386	4.7
251.17960	7.5
253.15898	8.4
253.94226	3.6
255.17467	38.6
257.13214	3.8
258.13815	4.2
261.16290	7.4
263.17960	6.7
265.19556	5.0
267.17410	5.1
268.17975	4.1
269.19012	8.2
270.19748	6.8
275.17899	4.4
279.17410	4.8
281.18832	7.1
282.19507	4.5
283.20694	3.4
285.18427	4.7
289.19440	7.0
295.20477	7.2
297.18466	3.4
299.20215	4.7
307.20526	3.6
347.23914	5.8
352.23987	4.9
357.51285	3.8
365.24478	4.8
383.25745	11.2
402.27884	3.8
600.41461	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	601.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18797	0.5
51.34906	0.5
55.05514	0.6
67.84528	0.5
70.06615	2.3
80.43443	0.5
84.04559	0.6
91.93201	0.5
95.05000	1.2
95.08584	0.9
96.77930	0.6
98.23527	1.0
105.07007	0.8
105.69797	0.5
135.11650	0.5
163.11203	0.6
185.04288	1.6
201.56833	0.5
257.22595	0.5
259.08081	1.2
331.10190	1.0
417.93167	0.6
439.26935	2.1
503.25027	1.9
531.24414	0.8
555.24768	1.0
571.30518	1.3
601.32153	100.0
602.32446	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	601.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94952	0.4
57.23031	0.4
65.95570	0.4
67.05495	0.6
69.91960	1.4
70.06595	1.2
85.02898	0.7
93.55843	0.4
121.10162	0.5
177.79753	0.4
185.04291	1.6
201.03702	0.8
259.08017	0.5
275.07382	0.6
318.99228	0.4
331.09933	2.3
429.84976	0.4
431.18906	5.1
439.19827	0.5
439.25262	2.6
483.22156	1.4
501.23117	2.6
531.24396	1.4
569.30481	0.5
571.31165	1.5
601.32056	100.0
602.32593	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	601.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05499	4.1
57.03436	1.1
57.07069	1.7
59.04994	0.7
62.00013	0.6
62.12961	0.7
67.05505	8.4
69.03419	3.0
69.07057	4.7
69.74490	1.3
69.74844	2.1
70.06593	0.7
79.05492	7.8
81.07053	10.3
81.34579	0.6
82.07391	1.0
83.04989	2.8
83.08604	3.2
83.38638	0.6
85.06532	0.8
91.05482	11.1
92.05829	1.0
93.07043	14.9
94.07376	1.0
95.04982	4.8
95.08607	8.6
96.08913	1.0
97.06525	2.1
98.23483	1.1
105.07030	16.9
106.07365	1.7
107.04884	0.8
107.08587	11.5
109.06539	2.6
109.10155	5.2
111.08086	1.6
115.05421	1.7
117.07036	3.8
119.08586	12.5
120.08878	1.2
121.06496	2.5
121.10151	11.2
122.10572	1.1
123.08102	4.3
123.11677	1.6
125.09630	1.7
128.06224	2.4
129.07045	4.0
130.07831	1.0
131.08568	6.2
132.08904	1.3
133.06470	1.1
133.10136	8.2
134.10474	0.8
135.08063	2.7
135.11702	2.8
137.09601	2.3
141.07007	2.1
141.08926	0.7
142.07785	4.8
143.08577	7.7
144.09230	1.4
145.10133	9.9
146.10446	1.3
147.08017	5.1
147.11693	2.8
148.08289	0.9
149.09616	2.4
150.10101	0.7
151.07524	1.3
154.07799	0.9
155.08528	2.5
156.09293	3.0
157.10129	10.3
158.10721	1.7
159.08107	2.4
159.11697	6.5
160.12024	1.0
161.09641	2.0
161.13286	0.9
163.11197	2.8
165.06972	1.3
165.09119	5.1
166.09441	1.5
167.08533	1.6
167.10712	4.6
168.09372	1.6
169.10089	2.9
170.10812	2.2
171.11720	5.8
172.12292	1.2
173.09663	1.8
173.13353	3.5
175.11183	3.2
175.14854	0.7
177.09209	0.8
178.07767	0.7
179.08542	1.4
181.10109	2.8
181.12178	2.4
182.10854	1.3
183.11664	3.4
184.12247	0.7
185.13232	3.2
186.13597	0.7
187.11099	0.8
187.14807	1.7
188.13593	0.7
189.12723	1.6
193.10136	2.6
194.10878	1.5
195.11618	3.3
196.12282	1.4
197.09425	0.7
197.13196	3.8
198.13672	1.1
199.11159	1.0
199.14871	1.0
201.12607	0.9
203.14359	1.8
204.14825	1.2
206.10927	1.7
207.11667	2.0
207.13770	1.7
208.12280	1.6
208.14200	1.1
209.13251	4.0
210.13718	1.3
211.14813	2.6
213.12749	1.1
213.16246	0.9
217.10056	1.1
219.14194	0.7
220.12537	1.0
221.13329	1.6
221.15353	9.3
222.15666	1.6
223.14851	2.0
224.15219	0.8
227.14476	0.8
232.12425	0.8
233.13231	1.1
233.15349	2.4
234.15965	1.1
235.14702	1.2
237.14728	1.6
238.15131	0.8
239.17918	0.8
245.13048	0.9
247.14844	1.1
247.17215	0.8
248.13922	0.7
249.16342	1.1
255.17422	1.5
256.17993	1.2
261.16336	1.1
265.19467	1.0
267.12070	7.7
273.18600	0.9
274.19342	1.0
275.17819	0.8
283.20297	1.1
285.18665	0.8
287.20047	1.2
299.19980	1.6
300.20694	1.1
303.19604	2.4
304.19894	2.1
313.21393	0.9
323.14627	1.7
326.21933	1.3
352.23911	2.4
353.24307	4.6
357.23776	0.9
366.25134	1.5
367.26508	1.0
375.98859	0.8
424.44846	0.7
503.34537	2.0
508.34659	1.0
521.36023	3.7
565.40399	1.1
583.41211	1.6
601.36951	100.0
602.37512	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	601.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71951	0.5
53.54345	0.5
55.05500	1.7
55.91813	0.5
57.03447	0.6
67.05508	4.1
69.07059	1.1
79.05490	2.2
81.07049	4.4
83.04981	1.1
83.08616	1.2
83.43092	0.6
89.05992	0.6
90.78611	0.5
91.05497	2.7
93.07040	4.0
95.08614	3.0
97.06528	0.8
105.07028	3.3
107.08586	2.4
109.10175	1.2
117.07037	1.7
119.08574	2.8
121.10133	3.0
130.24223	0.5
131.08600	0.9
131.87944	0.5
133.10124	2.1
135.11739	1.0
142.07730	0.8
143.08542	1.8
145.10123	1.7
147.08037	1.0
147.11685	1.1
149.09677	0.8
149.13141	0.7
155.08577	0.9
157.10104	2.0
159.11726	1.2
161.13354	0.6
165.09143	1.2
165.89409	0.6
167.10649	1.0
169.10094	0.9
171.11697	1.1
181.11998	0.6
185.13329	0.6
194.11066	0.7
197.13527	0.7
198.13707	0.5
203.14531	0.7
211.14830	0.9
218.81244	0.6
221.15404	1.3
222.15703	1.1
224.15672	0.7
232.68512	0.6
267.11945	3.4
285.64905	0.6
304.19803	0.7
323.14645	4.0
335.26004	0.7
352.23889	0.9
353.24225	0.6
360.62140	0.6
416.09341	0.6
493.78500	0.6
505.52042	0.5
583.35327	1.3
601.37061	100.0
602.37439	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	601.3716
Annotation	Phorbol 12-tiglate 13-decanoate
Peak:m/z	Relative Intensity
51.85852	0.6
55.05516	1.5
59.05407	0.6
67.05499	6.5
69.07095	1.0
79.05508	3.0
81.07057	5.4
83.08629	0.6
89.06045	0.7
91.05487	3.1
92.05789	0.7
93.07028	4.0
94.07373	0.8
95.04964	1.7
95.08596	4.3
105.07027	3.7
107.08599	2.0
109.10170	1.7
117.07042	0.8
119.08593	2.2
121.10166	2.3
123.08107	1.0
131.08607	1.3
133.10127	1.8
135.11731	1.4
142.07817	0.9
145.10100	3.7
147.06630	0.6
147.08040	1.2
147.11653	0.8
157.10124	1.6
158.10907	0.8
159.11705	1.4
163.11188	0.8
165.09097	0.8
169.10164	0.8
171.11655	0.8
181.10106	0.8
183.11690	0.7
187.14822	0.8
193.10321	0.8
197.13252	0.9
209.13411	0.8
221.15385	1.8
222.15764	0.9
249.11003	15.3
267.12128	3.3
282.07993	0.6
304.19543	0.7
305.13574	1.1
323.14655	0.9
335.25916	1.2
353.24222	1.1
442.06906	0.7
521.35822	0.9
583.35974	33.6
584.36627	1.9
601.37091	100.0
602.37311	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	28.6
55.96434	4.3
57.03432	5.3
57.07065	13.5
65.03946	4.2
67.05509	45.1
68.05833	6.2
69.03423	13.2
69.07086	23.4
69.38383	20.6
71.04993	5.6
72.17417	3.9
79.05494	37.1
80.05871	4.7
81.07065	54.8
82.07383	7.4
83.04991	21.2
83.08628	20.7
85.06550	11.8
85.10152	4.4
87.04457	4.6
89.06017	17.0
91.05485	70.9
93.07040	72.8
94.07345	5.2
95.04962	36.7
95.08605	56.4
96.08954	5.4
97.06509	16.2
98.05994	4.1
98.23385	6.1
103.05505	5.2
105.04527	5.4
105.07032	100.0
106.07328	5.8
107.07917	7.9
107.08596	83.0
109.06505	16.2
109.10161	43.4
110.10524	5.1
113.09653	6.9
115.05434	3.9
117.07015	19.9
119.08585	98.6
120.08876	6.2
121.06504	12.6
121.10143	83.1
122.10500	8.7
123.08059	18.8
123.11692	10.3
125.09621	15.1
128.06206	14.6
129.07011	22.6
130.07803	10.1
131.08580	34.8
133.08615	9.3
133.10138	56.8
134.10461	5.3
135.08069	20.1
135.11714	22.3
136.11957	5.0
137.09628	15.0
139.11142	6.8
141.06956	5.6
142.07826	27.0
143.08589	45.1
143.85957	4.6
144.09230	6.7
145.10139	76.9
146.10500	8.2
147.08035	12.8
147.11708	32.6
149.09654	21.0
149.13326	5.7
151.07518	6.7
151.11194	6.0
154.07713	5.2
154.81676	4.5
155.08588	22.0
155.10599	7.8
156.09319	20.8
157.10143	59.4
158.10770	9.0
159.08022	17.6
159.11697	36.8
160.08644	7.2
160.12093	5.0
161.09578	16.2
161.13225	8.8
163.11186	10.9
163.14812	4.5
165.06898	6.0
165.09096	5.1
167.08551	10.1
167.10675	59.2
169.10165	26.9
170.10812	7.5
171.07945	4.4
171.11697	39.8
172.12166	8.4
173.09680	5.0
173.13257	31.0
175.11206	13.4
175.14838	14.1
177.11206	4.7
179.08557	14.2
180.09264	6.2
181.10114	19.2
181.12306	7.7
182.10915	11.9
183.11670	27.7
185.13258	19.0
186.13756	6.5
187.14795	14.5
189.12810	10.4
192.09291	5.4
193.10156	15.1
194.10864	10.3
195.11696	22.6
196.12283	11.2
197.13277	26.5
198.13812	6.9
199.11050	5.1
199.14857	9.8
201.12782	7.8
203.14328	15.2
207.11630	13.4
208.12279	9.4
209.13197	22.7
210.13896	8.3
211.14824	20.8
213.12711	7.0
213.16222	4.6
215.14281	7.9
221.13200	20.4
221.15382	26.5
222.13771	8.4
223.14824	14.0
225.16324	6.7
232.12589	6.4
233.13284	7.8
233.15366	31.0
234.15813	7.6
235.14745	10.4
237.16446	6.9
239.17871	5.3
246.13870	4.1
247.14868	7.1
251.17955	8.3
253.15898	7.5
255.17479	10.3
256.17679	10.1
261.16449	8.5
263.17975	5.4
265.19351	5.0
267.17426	5.5
269.18936	11.0
275.17542	6.1
281.18958	7.4
283.20493	8.2
295.20544	7.0
366.25211	6.0
412.27411	5.7
415.25110	4.8
583.40399	11.6
601.36127	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
51.21780	1.1
51.29400	1.1
51.98900	1.1
53.03952	2.4
53.86717	1.3
55.05511	8.0
57.07064	4.9
59.04976	2.5
65.03938	2.3
67.05504	16.3
69.03416	5.5
69.07066	11.2
71.04990	1.7
77.03916	1.7
79.05054	1.2
79.05492	17.7
80.05801	1.2
81.06626	2.1
81.07056	23.8
83.04972	7.9
83.08610	6.0
85.06535	3.6
89.06015	1.7
91.05473	26.3
92.05783	1.2
93.07043	35.7
94.07374	2.8
95.04985	10.3
95.05547	1.8
95.08604	22.1
96.05289	1.2
97.06506	4.8
98.22694	3.0
103.05466	2.8
105.04539	2.0
105.07027	42.3
106.07325	3.2
107.07923	2.2
107.08592	29.3
108.08894	2.7
109.06513	8.6
109.10150	12.1
110.10503	1.3
111.08084	2.1
113.09621	2.6
115.05423	2.1
116.06239	1.6
117.07010	8.6
119.07748	2.0
119.08576	37.2
120.08890	3.7
121.06512	6.2
121.10146	28.0
122.10428	3.0
123.08083	10.4
123.11668	4.4
125.05994	2.4
125.09609	4.9
128.06194	5.9
129.07021	8.9
130.07848	2.5
130.44954	1.1
131.08571	15.9
132.08920	1.5
133.06477	3.2
133.10124	19.5
134.10527	2.2
135.08060	8.4
135.11678	7.3
136.12004	1.3
137.09592	5.3
139.11180	2.7
141.06929	3.3
142.07767	8.9
143.08569	17.2
144.09210	3.8
145.10129	22.9
146.10445	3.6
147.08020	7.8
147.11696	10.8
148.99847	1.3
149.09633	6.5
149.13240	1.8
150.09888	1.8
151.07518	4.6
153.06969	1.9
154.07799	1.7
155.08569	8.2
156.09349	7.2
157.10129	24.5
158.10635	4.9
159.08093	6.8
159.11682	16.0
160.12032	1.8
161.09631	7.4
161.13232	4.9
163.11142	5.4
165.06985	3.2
165.09113	10.9
166.09363	2.3
167.08539	3.2
167.10675	17.2
168.09346	2.0
169.10129	9.1
170.10701	3.6
171.11671	14.1
172.12321	2.5
173.09637	3.0
173.13258	8.5
175.11247	5.6
175.14799	5.2
176.11526	1.2
177.12718	2.4
179.08548	4.1
180.09259	1.7
181.10059	5.0
181.12177	5.3
182.10890	3.2
183.11673	10.3
184.12173	2.4
185.13263	9.0
186.13565	1.7
187.11211	2.7
187.14755	3.8
189.12711	3.9
190.13428	2.7
191.14206	2.0
192.09268	2.0
193.10078	4.3
193.12053	1.9
194.10825	3.5
195.11687	9.1
196.12233	2.6
197.09599	2.0
197.13277	8.8
198.13699	1.8
199.11223	2.1
199.14778	5.1
201.12650	2.9
201.16328	2.0
203.14287	6.7
204.14621	2.0
206.10852	3.2
207.11662	5.7
207.13792	3.7
208.12398	2.9
208.14339	2.1
209.13187	10.0
209.15118	2.4
210.13815	3.0
211.11179	2.2
211.14824	6.1
212.11879	1.3
212.15456	2.5
213.12671	3.4
213.16298	2.3
215.14243	1.9
219.11703	3.2
221.13174	5.0
221.15305	25.8
222.13716	2.8
222.15715	6.2
223.14848	6.3
224.11642	1.5
225.12825	1.6
225.16309	3.6
227.14091	2.0
231.11635	2.1
233.13188	3.1
233.15300	9.3
234.13890	2.3
234.16003	2.3
235.14691	3.4
236.15524	1.7
237.12617	1.6
237.14580	2.9
238.15079	2.5
239.17841	2.6
243.17393	1.2
245.13223	1.9
246.13872	1.6
247.14703	2.9
247.16962	2.9
248.14040	2.0
249.16368	3.4
251.17929	2.6
252.14526	1.3
255.17348	4.3
256.17731	2.4
256.22327	1.2
257.18979	1.5
259.14752	2.0
260.15445	2.2
261.16159	2.2
263.17847	2.3
265.19333	1.6
267.12085	7.0
267.17233	2.0
269.18967	3.4
270.19632	2.2
273.18686	1.9
274.19168	2.1
275.17825	2.8
277.19473	1.6
280.17694	1.7
283.20477	3.1
285.18478	1.6
286.19113	2.4
287.19794	3.8
295.20343	1.6
297.22226	1.3
299.20074	2.7
300.20575	2.1
301.21573	3.3
303.19464	5.3
304.19800	4.8
311.19946	1.5
312.20810	1.5
313.21313	2.1
323.14603	2.4
325.21457	1.8
326.22006	1.9
331.24023	1.3
335.25745	1.6
342.22800	1.5
349.25183	2.4
352.23975	6.6
353.24362	11.7
365.24673	2.8
366.24979	2.2
367.25696	1.3
379.25476	1.4
384.26431	1.7
393.27658	1.4
402.28146	1.2
503.34888	2.5
508.34949	2.9
509.35428	1.7
520.35278	2.1
521.35858	8.3
565.39923	3.5
583.41479	5.8
601.36713	100.0
602.05017	1.4
602.37219	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28209	4.7
53.03940	4.4
55.05518	28.9
57.07084	31.1
58.96783	4.9
65.03941	5.9
67.05506	46.3
69.03435	15.1
69.07078	26.8
71.04974	4.5
71.08631	23.5
72.00301	4.8
72.08939	5.0
73.06557	5.0
73.42767	4.4
79.05487	43.8
80.05804	5.1
81.07056	53.0
83.04980	16.4
83.08624	17.4
85.06553	6.6
85.10188	11.8
86.10631	5.2
87.04483	12.9
89.06033	85.2
89.06548	8.4
90.06370	13.2
91.05482	63.3
92.05802	5.7
93.07046	90.8
95.04964	28.8
95.08607	39.0
97.06547	14.4
97.10166	7.8
103.05510	4.6
105.07031	100.0
106.07314	8.1
107.08599	82.1
108.08902	6.1
109.06528	17.0
109.10170	43.7
110.10546	5.0
111.08067	6.5
115.05515	7.8
116.06258	4.4
117.07014	26.8
117.09145	6.8
119.08572	95.6
120.08923	15.1
121.06516	19.6
121.10141	90.7
123.08075	20.4
123.11741	6.1
125.09634	13.5
128.06236	15.8
129.07010	22.8
130.07817	9.0
131.08557	46.3
133.08598	42.3
133.10121	66.0
133.67720	4.3
134.08934	12.2
134.10481	4.9
135.08034	23.2
135.11697	17.2
137.09607	13.8
139.11230	8.0
141.07019	8.9
142.07762	27.7
143.08572	43.9
144.09251	14.4
145.09105	7.8
145.10135	78.4
147.08078	10.0
147.11716	27.7
149.09624	19.3
153.06998	7.6
155.08588	19.5
155.10658	7.9
156.09343	23.7
157.10150	69.3
158.10689	9.5
159.08072	25.4
159.11697	43.7
160.12132	5.4
161.09584	17.9
163.11237	9.1
165.07072	6.8
165.09163	11.1
167.08582	16.7
167.10710	65.5
168.09402	8.8
169.10114	37.4
170.10887	7.0
171.11674	43.4
172.12062	8.3
173.09616	8.3
173.13258	19.2
174.13625	6.6
175.11241	9.8
175.14806	9.8
177.11232	17.1
177.12633	6.6
178.11525	6.8
179.08516	15.4
180.09387	6.6
181.10139	20.8
181.12329	8.1
182.10870	12.0
183.11676	27.2
184.12251	5.1
185.09587	5.0
185.13280	22.6
187.11232	7.8
187.14917	9.2
189.12723	7.3
191.14319	11.5
192.09450	9.2
193.10118	12.1
194.10829	5.2
195.11662	29.7
196.12379	9.4
197.13264	36.9
198.13696	6.2
199.14821	17.3
201.16327	8.1
203.14317	12.2
205.06929	4.7
206.10829	5.2
207.11694	15.7
208.12431	11.1
209.13286	31.5
210.13618	5.8
211.14792	22.0
213.16298	5.8
215.14395	9.1
217.15906	5.9
219.11621	5.3
220.12419	6.0
221.13319	23.1
221.15425	28.3
223.14914	16.8
225.16354	13.4
227.14276	5.6
229.15933	8.8
233.13287	6.7
233.15359	31.7
235.14670	9.1
235.16866	7.4
237.16393	10.9
246.13736	5.9
247.14774	7.9
249.16325	9.5
251.17830	6.5
253.15935	5.3
255.17459	12.8
256.17783	5.6
257.24881	5.9
261.16382	7.8
262.16937	5.4
263.17847	6.9
265.19568	5.1
267.45416	5.0
269.18890	8.8
270.19226	5.3
275.17746	6.6
283.20538	6.1
299.20224	6.1
301.27414	5.9
347.23853	5.1
565.40552	6.0
583.41577	9.7
584.44336	12.4
601.36578	85.5
602.37268	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	602.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.3
67.05508	0.2
69.03414	0.4
69.11169	1.0
69.11564	0.5
70.06601	1.8
72.08151	1.0
78.04697	1.6
79.05488	2.8
81.03422	0.4
81.07063	0.5
84.04514	0.5
84.08126	1.1
85.02901	1.6
86.09716	1.6
91.05493	1.5
93.07038	0.5
95.04949	1.0
95.42281	0.2
97.02885	0.8
103.05467	3.1
105.04578	0.3
105.07032	4.4
106.04150	1.3
107.04956	5.6
109.06505	0.4
110.07162	0.3
115.05460	1.4
117.07008	0.8
119.04934	0.7
121.06520	1.4
122.03664	0.4
123.04437	4.3
123.08022	0.3
124.05214	1.8
125.05971	0.6
126.91563	0.3
129.06987	0.7
129.10237	1.1
131.04918	5.6
131.08528	0.9
133.06488	4.6
134.03577	0.4
135.08067	1.2
135.84402	0.3
137.04858	0.3
137.05945	2.4
141.06920	0.5
143.04889	0.4
143.05988	0.4
143.08543	0.4
143.11768	0.3
144.05698	0.5
145.04933	0.4
145.06493	2.2
145.10136	0.5
147.04411	1.5
147.08032	0.3
149.05981	0.7
151.03874	0.8
151.07533	3.2
152.04683	1.9
153.05418	0.4
157.06519	0.7
158.07263	1.1
158.87097	0.3
159.08070	1.7
160.05174	0.3
161.05983	6.4
162.07675	0.4
163.07544	11.6
165.09122	0.6
167.07031	100.0
168.07343	1.4
171.08067	0.4
173.05919	1.2
173.09587	1.2
175.07524	1.9
177.05421	0.3
177.09099	2.4
179.07025	3.5
180.08664	0.4
181.08578	4.0
187.07545	2.9
189.09041	0.7
191.07176	0.4
192.07831	0.7
193.08598	16.9
195.10146	0.4
201.09103	2.2
203.08577	0.3
205.08485	1.3
206.09427	0.3
207.10139	0.6
217.08617	0.8
218.09290	0.4
219.10115	2.2
221.11691	0.4
224.94936	0.3
231.07901	0.5
233.11688	3.7
235.11194	0.3
237.11200	3.0
248.08376	0.5
251.12819	1.8
259.07520	0.4
259.83841	0.3
263.10696	0.9
291.10141	0.9
295.13412	0.7
323.12695	2.3
355.15393	13.2
356.15591	0.3
361.92294	0.2
387.18002	14.6
388.18311	0.8
405.19067	31.4
406.19272	1.1
423.20090	0.9
441.05008	0.3
603.11060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16925	0.3
63.10961	0.4
66.57079	0.4
69.03445	0.4
69.11981	2.5
70.06590	1.2
72.08127	0.4
78.04718	2.1
79.05495	2.7
87.09583	0.4
91.05487	1.8
95.04956	0.9
98.23430	0.8
103.05467	3.4
105.07039	4.6
106.04156	1.4
107.04956	5.8
109.06490	0.4
115.05465	1.4
117.07014	0.8
121.06496	1.2
122.03603	0.7
123.04427	4.2
123.08064	0.4
124.05231	1.9
125.05931	0.7
129.06964	0.5
130.00461	0.3
131.04927	6.1
131.08601	0.9
133.06490	5.1
135.08066	1.1
137.06001	2.9
141.07016	0.7
143.04936	0.6
144.05733	0.7
145.06487	2.8
145.10118	0.4
147.04430	1.1
149.05949	0.7
151.03896	1.2
151.07536	2.9
152.04684	1.9
153.05421	0.4
155.08554	0.5
157.06505	0.5
158.07256	0.9
159.08078	1.1
161.05962	5.3
163.07547	11.2
165.09113	0.5
167.07036	100.0
168.07480	0.9
173.06017	1.0
173.09612	1.1
175.07491	1.8
177.09106	2.1
178.06171	0.5
179.06999	2.6
181.08594	5.1
187.07520	2.8
189.08995	0.6
192.07896	0.7
193.08594	15.9
195.10252	0.4
201.09055	2.1
203.08621	0.4
203.14668	0.4
205.08568	1.3
207.10133	1.0
217.08641	0.6
218.09422	0.7
219.08235	0.5
219.10199	2.5
219.12050	0.5
221.11673	0.6
231.07986	0.8
233.11772	2.7
237.11259	2.6
251.12770	1.5
263.10757	0.9
291.10162	1.1
323.12857	1.7
355.15384	12.3
356.15756	0.5
387.18015	10.7
405.19080	27.1
406.19287	1.4
423.20059	1.2
512.11810	0.4
584.14575	4.7
585.13715	0.5
602.15271	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	602.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05511	4.0
57.07078	1.4
58.99588	2.0
67.05502	6.8
69.07067	2.8
69.63268	0.7
70.32768	1.1
74.00665	2.8
76.02220	1.3
79.05500	3.5
80.05017	0.8
81.07062	14.7
83.04993	0.9
83.06132	1.5
83.08617	2.5
84.04515	4.5
85.10178	1.4
86.00665	1.5
86.99050	0.9
91.05486	3.9
93.07049	5.1
94.06591	0.9
95.04979	2.7
95.08608	9.8
97.06540	1.9
97.10170	0.9
99.01463	1.1
100.02207	2.7
105.07023	3.2
107.04940	0.8
107.08595	4.4
109.06522	0.8
109.10122	3.8
110.09721	0.7
111.02648	1.2
111.08091	2.4
112.02187	2.2
113.09666	1.0
114.03773	4.8
116.01691	3.7
119.08572	2.5
121.10165	1.5
122.09695	0.7
122.89502	0.7
123.02624	0.8
123.11749	1.2
124.11286	0.9
126.03708	1.0
129.06583	1.0
130.04999	1.1
131.08563	0.8
133.10144	1.5
134.09750	0.7
136.11206	1.4
137.09637	0.8
141.03694	0.7
144.01170	1.0
145.06013	1.3
145.10129	1.5
147.11714	2.4
149.13245	2.3
149.21881	0.7
153.06523	0.8
161.13326	1.1
162.02167	1.6
165.12784	3.3
169.09216	3.0
170.09985	60.9
171.10385	0.8
171.11777	0.8
173.13353	0.8
185.03789	1.8
187.05345	1.0
191.14326	1.5
196.76735	0.8
209.15414	3.1
211.10886	1.0
215.04895	2.3
216.05667	2.7
231.04308	3.5
233.05879	0.8
271.10934	1.1
272.11902	13.1
273.12735	2.3
277.21616	7.8
294.24228	1.5
295.22577	1.9
324.23447	1.3
326.21500	2.3
334.21988	1.7
334.88528	0.7
335.20419	2.8
352.23004	12.7
353.21512	1.3
370.24167	8.9
380.22397	1.2
455.25745	100.0
456.25885	3.3
509.27231	0.9
527.27655	3.4
549.60260	0.8
602.30969	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	602.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
56.05017	1.5
56.05854	0.5
56.16660	0.5
57.03427	0.8
58.06591	1.0
60.08162	4.8
67.05508	2.6
69.07059	2.1
69.37614	0.5
71.07377	4.8
71.08614	0.6
76.72867	0.6
77.00939	0.6
79.05479	1.0
81.07060	3.3
83.08602	1.5
86.09703	26.2
91.05504	0.8
93.07042	1.4
95.08606	2.3
98.98473	0.7
100.62692	0.5
102.09177	0.7
104.10738	100.0
109.10141	1.0
116.59467	0.5
119.08622	0.5
125.00002	3.1
140.79703	0.5
143.13206	0.6
146.98178	5.6
153.21477	0.6
156.97475	2.7
163.01656	0.6
164.98022	0.6
174.98526	1.3
181.02621	1.0
182.99030	10.5
184.07401	0.6
198.98625	0.5
201.00076	11.1
206.00809	1.2
208.93056	0.9
213.00124	1.6
221.00620	1.2
225.00060	2.1
239.01678	5.1
240.10019	4.4
243.01140	2.7
262.94089	0.6
266.06406	2.0
268.00302	1.8
284.07440	4.2
303.21777	0.9
321.22745	4.3
322.01270	0.6
337.27356	1.7
339.23792	1.3
457.22049	2.0
483.24374	5.1
486.28403	2.8
502.32919	0.7
542.31909	10.7
543.32361	0.9
544.32581	1.2
584.31616	0.8
602.25458	0.6
602.33173	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	602.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
56.05037	0.8
57.02237	0.3
57.07043	0.4
57.99150	0.3
58.06596	0.9
60.08166	7.2
67.05498	1.3
69.07059	0.7
71.03218	0.3
71.07374	2.7
71.66860	0.3
79.05514	0.3
81.07053	1.5
86.09710	12.2
93.07046	0.6
95.08630	0.8
98.23421	0.9
101.74432	0.3
104.10746	100.0
105.11079	1.0
109.10148	0.4
121.10160	0.4
124.99987	1.2
146.98238	0.4
156.97481	1.0
163.01653	0.5
164.97998	0.4
172.44672	0.3
174.98553	0.9
182.99065	6.2
184.07353	0.6
201.00096	6.5
202.00327	0.3
206.00641	0.4
213.00107	0.6
216.99538	0.4
221.00613	0.8
225.00204	0.9
239.01669	3.4
240.09933	0.9
243.01149	1.7
266.06436	0.9
283.11743	0.4
284.07422	2.2
303.21759	0.9
315.25565	0.4
321.22757	2.2
339.23862	0.8
344.24246	0.5
376.25403	0.9
407.69876	0.3
457.21942	0.9
478.46292	0.3
483.24185	1.4
486.28207	1.3
502.32932	0.9
504.29196	0.4
542.31360	3.2
544.32910	0.4
602.33118	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	602.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01638	0.3
53.54395	0.3
56.05029	1.7
57.03430	0.3
57.33122	0.3
61.02927	0.3
66.92259	0.2
67.05508	0.4
69.03432	0.6
69.06707	0.5
69.07071	6.4
70.06601	1.2
72.08167	1.4
74.06086	2.7
79.05481	0.4
81.07052	0.5
81.67433	0.2
84.04510	4.1
84.08148	0.4
85.02916	1.1
86.09709	100.0
87.04471	0.3
87.10013	1.2
91.05514	0.3
95.08610	0.3
97.02905	0.6
98.06054	0.8
99.04351	0.3
102.05534	1.6
109.02911	0.2
115.03938	0.4
116.07088	0.8
121.10089	0.3
126.05522	7.9
127.03909	0.5
128.10750	0.3
130.05029	0.9
133.04980	0.4
144.06548	6.7
145.04968	0.3
145.10043	0.4
153.06604	1.6
157.13376	4.5
159.54378	0.2
162.07626	11.1
163.06035	0.3
167.07076	0.4
169.09732	1.1
185.09242	0.2
185.12881	0.6
197.09218	16.2
198.09552	0.4
199.17979	1.2
215.10280	5.3
217.47404	0.2
227.17604	1.4
238.15518	0.6
245.18776	0.4
257.15015	0.6
271.14630	0.3
275.16028	13.3
276.16260	0.3
278.18130	0.3
282.18158	0.9
298.21231	0.4
300.19183	15.5
301.19705	0.3
310.17633	0.3
328.18677	39.6
329.18826	1.3
388.24203	0.6
441.27222	4.3
442.27621	0.4
513.07025	0.3
602.26941	0.9
602.35803	0.5
603.29492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07492	1.0
56.96566	3.2
70.06595	2.5
72.08159	1.5
84.08158	1.3
84.96043	2.2
86.09715	2.1
90.20707	1.1
92.60194	1.0
98.22719	2.9
98.83061	1.0
140.78218	1.1
143.49884	1.0
148.13765	1.0
155.28088	1.2
193.08656	1.5
237.00879	1.0
255.01915	1.3
268.37973	1.1
272.89044	1.2
321.00641	1.8
335.02301	1.6
339.01801	3.9
341.03305	3.5
343.05075	1.4
351.01868	3.1
353.03226	5.6
355.05020	3.6
357.02792	19.4
359.04404	3.3
363.01685	7.6
365.03381	2.0
367.04901	5.7
369.02930	8.6
371.04373	21.3
375.04065	6.9
377.03738	1.6
381.02802	47.1
382.03256	2.1
383.04596	3.8
385.06088	4.0
387.03796	13.5
389.05365	5.4
393.02704	10.9
395.04416	6.4
399.03815	31.1
401.05478	5.9
404.04413	1.8
405.05112	2.8
411.03873	28.8
411.09143	2.0
413.05475	6.7
417.04825	7.5
423.03784	10.9
429.05014	14.1
431.06592	3.3
434.05606	1.4
435.03867	1.7
441.04883	39.3
441.10983	1.9
443.06586	1.5
447.05637	1.3
453.04886	17.8
459.05762	7.9
464.06760	2.5
465.05148	1.8
471.05981	25.9
483.06006	9.2
494.07901	2.3
501.07101	6.5
513.07056	22.6
514.07593	1.3
519.07507	1.2
531.08130	9.1
543.08093	23.2
554.09406	1.2
558.08575	1.9
585.10120	15.8
594.09808	1.4
603.11005	100.0
604.11615	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	603.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50893	0.7
55.05507	1.2
56.05036	1.8
60.04518	1.2
60.05658	0.8
64.55796	0.7
69.03421	0.8
69.07063	2.2
69.36221	3.5
69.55768	0.7
70.06596	19.2
71.07417	0.9
72.08158	12.7
73.08499	1.0
81.07050	0.8
83.06111	0.8
84.04499	5.6
84.08143	16.2
84.96043	1.1
85.02917	0.9
85.08512	0.9
86.09708	28.7
87.05602	1.6
87.10049	2.9
95.06161	0.7
98.23474	1.6
101.07155	1.0
102.05562	2.8
104.10734	5.1
110.07163	6.2
112.08729	1.6
116.07090	0.8
119.08575	0.7
120.08137	5.0
129.10246	15.8
130.05042	1.9
130.10614	2.5
132.10225	1.0
132.87062	0.8
136.07591	0.8
143.11832	1.8
147.07716	2.7
148.06061	0.8
155.04587	0.8
155.08150	0.9
155.11891	0.8
159.07761	1.0
172.07211	1.6
183.14899	0.9
184.07387	5.3
185.09239	1.3
185.16513	0.8
187.07367	0.7
201.12402	2.3
211.81406	0.7
215.13943	1.6
219.60796	0.8
229.11896	1.5
243.13527	1.7
246.14568	1.4
285.15634	1.6
310.92392	0.9
335.02151	0.9
339.01761	1.1
343.19949	1.2
351.01892	1.5
353.03275	1.6
355.04907	1.2
357.02835	7.2
357.21942	1.7
359.04507	1.2
363.02011	2.3
369.02859	2.2
371.04340	5.0
375.04077	1.7
381.02841	11.6
383.04425	1.2
384.22589	1.1
387.03650	3.9
389.05417	2.0
393.03104	3.1
395.04599	2.7
397.06042	1.2
399.03894	12.0
399.23575	1.1
401.05539	2.0
411.04013	8.5
413.05356	2.0
417.05026	2.1
422.27744	0.8
423.03806	4.5
429.04944	4.9
440.20404	3.0
441.04913	8.7
441.20239	1.0
453.05035	2.8
453.28683	0.8
459.06201	3.1
471.06296	3.2
471.30258	1.4
483.06369	3.0
501.06888	1.1
513.07202	13.4
531.08075	2.4
543.08148	9.6
584.32593	1.0
585.10150	10.0
602.31604	2.4
602.40466	1.5
603.11151	100.0
603.20331	3.8
603.30853	4.4
604.11426	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	603.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	2.4
66.30484	1.1
70.06593	3.2
70.70179	2.5
84.96039	2.3
86.09673	1.5
95.33575	1.2
113.15901	1.1
134.46478	1.1
138.51170	1.1
163.37186	1.2
253.00502	1.4
265.00760	1.2
291.01990	1.3
323.02264	1.7
335.02402	2.7
339.01776	3.3
341.03333	3.4
351.01733	3.4
353.03250	4.7
357.02814	16.5
359.04239	3.7
363.01614	6.0
367.04831	3.6
369.02551	6.9
371.04340	19.2
373.05908	1.4
375.03925	6.7
381.02789	40.3
383.04059	5.6
385.06152	3.4
387.03891	12.3
389.05344	4.4
393.02887	6.4
395.04349	7.1
397.06296	1.7
399.03848	29.9
401.05573	4.9
404.04590	1.6
405.04636	1.4
411.03857	26.3
412.04465	1.4
413.05554	6.2
417.05188	6.1
423.03873	9.7
429.05014	12.6
431.06522	3.4
434.05389	2.4
435.03738	1.9
441.04974	31.0
453.04901	13.8
459.06052	7.8
464.06555	3.2
471.06058	17.7
483.06265	10.0
494.07950	2.4
501.06985	2.3
513.07141	23.2
531.08038	7.5
543.08209	17.9
585.09998	15.9
603.11053	100.0
604.11481	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	603.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75036	0.5
55.05520	0.9
55.36634	0.5
57.03432	0.6
62.05009	0.5
69.07072	1.0
71.43498	0.5
74.23797	0.5
79.05508	1.8
81.07053	2.5
86.93857	0.5
90.19453	0.5
91.05486	0.7
91.07952	0.5
93.07072	1.8
95.08598	2.5
98.22701	1.5
101.41653	0.5
102.05164	0.5
107.08610	1.6
109.10197	0.7
121.10162	0.8
133.10136	0.8
147.11713	0.7
149.72820	0.5
180.17081	0.5
220.16161	0.5
251.12479	2.6
269.13611	7.7
307.15204	0.7
325.16302	1.9
335.25885	1.2
585.36914	3.7
603.38599	100.0
604.38812	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	603.3874
Annotation	UNII-HKA5772VF6
Peak:m/z	Relative Intensity
51.44666	0.4
55.05512	0.8
57.03455	0.5
63.62247	0.4
69.07087	0.5
79.05484	1.7
81.07037	2.6
83.08633	0.6
91.05485	1.3
93.07044	2.3
95.08620	2.3
98.53135	0.4
105.07070	0.6
107.08613	1.1
109.10162	1.3
111.07995	0.5
119.08621	0.9
121.10178	1.1
123.11742	0.6
193.98932	0.5
251.12611	1.8
260.32501	0.5
269.13596	6.4
269.16144	0.6
307.15198	1.3
325.16238	2.9
335.25806	1.3
470.88992	0.5
585.37476	4.6
603.38635	100.0
604.38977	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	607.166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53967	0.1
67.01857	0.2
68.99815	0.2
69.03412	0.4
69.03758	0.1
69.07082	0.1
70.06586	0.5
72.08142	0.2
81.03419	0.2
83.04951	0.1
84.08147	0.2
84.46471	0.1
85.02913	0.8
86.09698	0.3
95.08601	0.1
97.02878	0.4
99.04456	0.4
103.03951	0.6
109.02868	0.3
120.08092	0.1
127.03918	1.3
129.10266	0.1
136.07706	0.1
145.04956	0.3
146.65637	0.1
149.05875	0.2
151.03891	0.2
153.01820	1.3
171.02875	0.4
175.03912	0.4
187.06049	0.1
229.05035	0.1
231.66191	0.1
258.05228	9.6
259.05655	0.4
267.71716	0.1
271.08014	0.2
286.04706	31.3
287.05051	1.2
301.07050	100.0
302.07401	3.6
302.10135	0.1
343.08078	0.2
463.12671	0.2
545.16455	0.4
571.14252	0.3
589.15399	0.3
607.16351	4.5
608.16779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59270	1.3
70.06595	2.5
85.76311	1.4
97.62930	1.5
102.42931	1.3
110.17342	1.4
125.80755	1.4
176.08340	2.3
186.28401	1.7
229.05611	1.5
266.38486	1.7
267.31308	1.4
394.65182	1.7
437.22821	1.8
481.47226	1.7
491.46368	1.6
607.17889	100.0
608.18317	5.1
609.90582	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2154
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
51.09435	0.7
71.13328	1.0
86.85958	0.9
102.47727	0.8
103.63093	1.0
106.97950	0.9
145.62601	0.8
351.09320	0.9
365.49103	1.0
395.10925	3.6
410.13333	8.2
607.21490	100.0
608.21924	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	607.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50291	1.1
53.09587	0.8
55.08079	0.9
61.51785	0.8
65.65597	1.0
66.18587	1.0
70.60950	1.5
92.03860	1.0
115.08385	0.9
147.16678	0.9
164.98779	0.8
167.74471	0.9
268.38614	0.9
277.65347	0.9
395.10995	1.9
410.13452	5.9
607.21497	100.0
608.21881	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	607.2363
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
61.01144	0.6
70.06596	6.0
72.08147	0.9
84.04510	1.1
84.08142	2.3
86.09708	0.9
96.18320	0.4
98.06100	0.4
98.22627	0.8
101.16923	0.4
103.81235	0.4
111.04227	0.8
112.16978	0.4
118.06895	2.7
120.08141	0.8
129.10260	1.6
130.08592	0.4
136.07571	0.5
144.06633	0.5
185.04279	0.4
189.05223	24.9
190.05984	3.3
199.10735	0.5
231.83795	0.4
233.04277	0.5
274.12213	0.9
295.06030	0.8
339.70111	0.4
362.11353	0.4
429.15125	2.1
444.17593	3.2
445.18329	17.8
446.18771	0.9
496.13477	0.5
607.23602	100.0
608.23871	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	607.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16425	1.2
55.35276	1.1
78.42928	1.2
85.02911	1.2
143.72395	1.2
191.08510	1.4
269.97156	1.2
372.76410	1.6
607.23602	100.0
608.24048	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	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16139	0.4
67.05442	0.7
69.07011	0.4
71.21590	0.4
79.05447	0.7
81.07008	0.9
83.08525	0.4
91.05418	0.9
93.06994	0.9
95.08554	1.0
105.06954	0.9
107.08548	0.7
109.10063	0.5
112.01451	0.4
119.08533	0.7
131.08467	0.4
133.10065	0.6
157.10104	0.4
159.11537	0.4
183.55591	0.4
197.13130	0.4
235.12265	0.4
235.14986	0.5
249.10118	0.4
275.20065	0.4
300.14923	0.4
315.78275	0.4
362.57669	0.5
373.14548	0.5
375.15985	1.0
385.16595	0.4
386.16473	0.7
387.16364	1.0
388.16702	1.6
389.17560	3.8
390.18408	1.8
391.19092	1.1
400.17038	0.5
401.17624	1.1
402.18552	1.6
403.19437	6.0
404.15637	0.4
404.20114	3.9
405.20737	2.8
415.19824	0.6
416.16287	1.5
417.16150	4.2
417.20959	2.6
418.17108	0.8
418.21887	1.1
419.22446	7.7
420.23001	0.9
424.33630	0.4
429.16504	0.7
430.17892	1.4
431.18204	8.6
432.18973	3.8
433.20004	3.2
434.20877	0.5
443.18930	0.9
444.19174	0.8
445.20193	8.7
446.21005	6.6
447.21698	10.8
448.22278	0.8
457.20010	0.5
459.17996	2.4
460.18259	0.6
460.23114	0.4
461.19281	1.7
462.24396	0.6
463.20374	0.5
463.25842	0.7
473.19626	1.5
474.20456	11.1
474.26804	0.7
475.21124	10.9
476.21558	0.9
477.22830	0.9
487.21359	2.3
488.22165	1.0
490.23706	1.7
491.20633	1.3
491.24747	1.1
501.23126	2.1
504.21289	0.7
505.22568	0.6
518.23035	0.5
519.24042	12.2
520.24048	0.9
529.22217	0.5
532.20813	0.8
547.23376	59.9
548.23743	4.5
561.24841	1.0
579.26117	4.0
589.24542	0.9
607.25482	100.0
607.43011	3.1
608.25775	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.17256	0.6
69.17659	0.3
70.21612	0.2
95.04941	0.1
99.39217	0.2
106.06622	0.1
127.00741	0.2
128.69844	0.1
148.07590	0.2
164.10159	0.1
183.09161	0.2
197.10774	0.2
208.10136	0.2
209.10815	0.2
221.10800	0.4
223.08762	0.2
233.10829	0.2
235.12282	0.2
296.11853	0.3
299.14154	0.2
300.15009	0.2
310.13043	0.1
325.15729	0.2
326.12708	0.1
338.16904	0.2
373.14526	0.2
374.15231	0.3
375.15952	0.8
376.17102	0.3
385.14590	0.2
387.16293	0.5
388.16821	0.8
389.17661	2.2
390.18414	0.9
391.19281	0.9
401.13293	0.3
401.17972	0.6
402.14032	0.3
402.18933	0.7
403.19498	4.0
404.20251	1.3
405.20743	2.9
415.14853	0.3
415.19504	0.4
416.16330	1.0
416.20398	0.5
417.16339	3.7
417.21268	1.3
418.17709	1.1
418.21689	0.9
419.22461	5.5
420.23254	0.9
429.16617	0.3
430.17133	0.8
431.18280	6.8
432.19141	3.4
433.19974	3.5
434.20459	0.3
435.21854	0.3
441.17056	0.2
443.18314	0.3
444.19553	0.5
445.20096	4.4
446.20993	7.8
447.21671	8.0
448.22836	0.7
458.20993	0.2
459.22964	1.7
460.18942	0.8
461.19476	1.7
462.24225	0.6
463.20804	0.5
463.25403	0.5
473.19513	0.7
473.23792	0.5
474.20313	4.6
475.21149	4.8
476.21671	0.4
477.22882	0.6
478.23688	0.7
487.21237	1.6
488.22223	0.4
490.23535	0.6
491.20309	3.2
501.23184	1.1
503.24725	0.3
504.21463	0.5
505.22122	0.9
506.23135	0.5
517.22748	0.2
518.23499	0.3
519.24036	16.0
520.24200	1.2
529.22308	0.4
532.21503	0.3
533.25629	0.2
547.23358	13.0
548.23645	1.2
550.21790	0.2
551.26099	0.4
561.24811	0.4
575.23071	0.3
579.26001	5.6
580.26117	0.4
589.24292	0.2
607.25433	100.0
608.25732	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
55.53194	4.2
56.54758	3.3
56.79710	3.6
69.45403	19.9
69.82914	3.7
89.90308	4.3
93.49560	4.0
128.84514	4.4
277.21780	6.5
295.22717	4.3
396.68796	4.3
431.18561	6.2
433.23969	8.6
445.20163	4.6
459.22205	5.7
460.22440	14.8
461.23193	19.4
525.91858	4.9
547.27069	59.6
607.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2919
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.92260	0.5
58.84552	0.5
69.79306	0.8
69.79659	1.0
98.22713	0.5
124.06985	0.4
196.64320	0.4
224.48358	0.4
244.56076	0.4
249.31389	0.4
329.54553	0.5
380.86438	0.5
389.17465	0.8
402.18295	0.9
403.19211	2.1
404.19916	0.8
405.20712	1.2
416.20218	0.7
417.21265	2.4
418.21533	1.3
419.22400	1.9
430.17261	0.6
431.18268	6.2
432.19415	1.5
433.18613	0.8
433.24030	8.3
434.24573	1.5
445.19727	7.0
446.20718	3.1
447.21805	4.1
459.21384	3.1
460.22552	11.5
461.23413	14.2
462.23773	0.8
473.23474	3.6
474.24109	0.8
477.22949	0.8
487.24915	1.6
488.25729	0.7
491.24390	0.7
492.25357	1.1
505.21555	2.1
515.24561	0.9
519.24585	1.6
519.27264	1.8
532.24664	0.7
533.10144	0.5
533.25653	0.7
547.27045	49.4
548.27448	3.7
575.26501	1.1
579.29041	0.7
607.29150	100.0
608.29315	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	609.1817
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.96051	0.1
60.76303	0.1
69.03417	0.2
69.08890	0.5
69.09306	0.2
70.06597	0.5
71.04990	0.6
72.08156	0.2
75.49702	0.1
81.03406	0.1
84.08144	0.1
85.02910	1.2
86.09686	0.3
92.78562	0.1
99.04454	0.1
101.88165	0.1
107.03382	0.1
109.02822	0.1
116.07011	0.1
129.05469	0.2
135.91339	0.1
153.01814	0.5
229.04962	0.2
257.04465	0.2
258.05234	13.5
259.05579	0.3
269.04440	0.1
280.50769	0.1
286.04712	34.7
287.05002	1.0
301.07059	100.0
302.07401	2.9
302.10712	0.2
463.12283	0.6
609.17505	0.5
609.30499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93414	0.9
57.03433	1.7
57.75003	1.1
67.05495	1.4
69.13837	3.1
69.14247	3.7
70.06585	4.8
71.05002	3.0
72.08160	3.3
79.05493	1.5
81.03413	2.0
81.07067	1.6
83.04964	2.1
84.08137	1.8
85.02911	13.1
86.09731	2.4
87.04411	1.0
91.05467	1.8
93.07055	3.0
95.04973	1.5
95.08643	1.2
97.02893	2.0
97.06531	2.0
99.04473	1.4
105.07037	2.8
107.04974	3.5
107.08611	2.8
109.02911	2.2
109.06548	2.4
117.07057	1.3
119.04922	8.5
119.08602	1.3
120.08117	1.3
121.02867	24.5
121.06525	2.5
125.05994	1.9
129.10197	1.8
131.04958	1.1
131.08594	1.6
133.06575	1.4
135.04445	1.3
135.08179	1.2
136.07568	2.1
143.06993	2.3
145.02916	3.5
145.10149	5.2
159.04391	1.3
159.11705	1.8
161.02373	1.3
163.03891	1.9
163.11169	6.4
165.01843	1.1
171.04384	1.3
173.06015	1.9
173.09596	3.5
175.03922	2.3
177.01900	3.0
177.05508	1.6
179.03453	2.7
187.03777	1.1
187.11237	4.2
189.01820	7.9
190.02533	1.2
191.03459	3.1
191.10710	2.2
195.02873	6.7
197.09612	1.4
199.03964	2.0
201.05621	1.1
203.03400	14.6
203.92673	1.1
204.04060	1.1
205.12268	1.9
207.02887	7.7
215.03400	2.2
215.10698	4.3
217.01418	2.7
217.04927	7.0
219.02931	3.6
221.04485	2.2
227.03395	3.0
227.12750	1.7
229.04988	4.1
231.02924	2.6
233.04465	1.7
233.11716	11.1
235.06078	1.5
239.07021	1.4
243.02869	1.7
245.04425	1.9
251.12762	13.2
255.02849	5.3
255.06541	1.2
257.04395	2.1
267.06631	2.3
268.07281	3.6
269.13834	3.0
273.04050	2.6
279.06613	4.6
280.07190	1.8
281.08127	3.3
283.06009	21.1
284.06747	1.9
291.06979	1.4
293.08163	4.5
294.05191	7.9
295.06021	100.0
296.06641	9.9
297.07498	12.4
298.08118	1.4
304.07416	1.3
305.08157	1.8
306.04898	1.7
307.06018	57.7
307.09085	2.0
308.06790	14.9
309.03915	2.9
309.07486	19.0
311.05310	4.9
312.06265	2.9
313.07031	4.5
317.08136	2.5
319.06061	7.1
319.09518	1.9
320.06906	5.4
321.07559	45.7
322.08353	8.2
323.05496	7.5
323.09189	5.5
324.06326	3.3
325.07059	58.5
326.07654	3.6
327.08682	1.7
329.08087	1.7
333.07550	7.0
334.08298	1.9
335.05487	7.1
335.09073	30.0
336.06158	5.6
336.09778	1.7
337.07068	33.1
338.07367	1.2
339.08841	2.9
341.06729	3.6
345.07550	5.8
346.08429	3.3
347.05286	2.8
347.09222	10.5
349.07092	37.9
349.10788	1.6
350.07761	4.3
351.04529	1.6
351.08618	16.0
353.06467	6.7
355.08130	1.9
357.07565	1.5
360.06317	3.1
361.07016	15.8
361.10928	2.6
362.07672	2.5
363.08661	21.3
364.09161	1.6
365.06271	5.9
365.10297	4.1
367.08267	3.7
373.07135	9.5
374.07874	2.6
375.08508	6.6
377.06226	8.4
377.10330	3.0
378.07404	4.1
379.08054	20.8
381.09695	2.3
385.07028	3.0
387.08447	2.4
389.06451	3.2
389.10684	2.0
390.07001	1.3
391.08112	45.1
392.08521	2.4
393.09647	4.1
395.07718	3.1
397.09045	1.3
401.06241	1.9
403.07944	10.8
405.09525	3.0
407.07074	5.3
409.09183	54.8
410.09775	2.4
415.10532	2.7
417.09732	2.1
419.07632	3.5
421.09113	14.7
423.10770	1.6
427.10263	16.0
429.09927	1.6
431.11496	1.8
433.09613	1.3
435.05359	1.1
435.10846	4.4
437.08673	2.9
439.10284	18.8
441.11594	3.3
445.09109	3.5
449.12506	2.1
451.10168	1.7
455.09894	2.1
456.10574	2.2
457.11304	38.1
459.10974	2.4
462.14951	1.3
463.10175	15.5
471.12698	1.4
475.10590	3.8
477.11649	3.4
481.11310	73.8
482.11383	4.7
487.10364	4.1
489.13989	6.2
493.11261	46.1
494.11655	2.3
495.12781	4.3
505.11197	14.4
511.12408	32.2
512.12433	2.6
513.13654	6.2
523.12299	27.5
524.12598	1.8
525.13708	6.4
537.13446	1.5
541.13391	32.3
542.13953	1.5
543.14764	1.5
555.14789	4.5
559.14435	49.3
560.14777	2.0
560.61670	1.2
573.16150	6.5
577.15271	12.0
591.16943	7.1
609.18311	3.4
609.30011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.7
58.91408	2.1
69.03442	2.2
69.83869	6.3
70.06562	2.3
71.04997	2.3
72.08163	2.5
81.03413	2.9
81.07072	2.4
83.04978	2.9
85.02901	5.1
86.09695	6.2
90.90358	1.6
93.07018	2.7
97.02859	2.3
105.07035	2.6
107.04968	3.3
107.08524	2.7
109.06569	2.0
119.04980	8.4
121.02866	26.4
125.05974	2.2
145.02852	2.5
145.10153	5.4
159.11644	3.1
161.85544	1.9
163.11223	5.1
173.09599	4.2
175.03923	2.4
177.01822	4.9
179.03363	2.1
187.11195	3.3
189.01814	8.6
191.03401	4.0
195.02910	5.7
203.03377	16.1
207.02896	6.3
215.03473	2.2
215.10643	4.3
217.04974	8.7
219.02983	4.9
221.04471	2.1
229.05061	2.2
233.11807	5.3
243.02995	2.6
245.04326	2.0
251.07063	2.8
251.12886	9.4
255.02896	5.1
267.06509	2.6
268.07202	3.9
269.13953	2.3
279.06583	5.7
283.06000	18.2
284.06552	2.3
285.04114	2.2
285.07581	2.2
292.07104	2.3
293.08112	5.2
294.05334	9.8
294.08466	2.3
295.06012	100.0
296.06677	8.7
297.07492	9.6
307.06021	61.4
307.09601	3.4
308.06781	14.4
309.03870	7.1
309.07584	19.6
310.08194	2.3
311.05463	14.4
312.06311	2.6
313.06970	5.1
317.08237	3.5
319.06033	6.6
320.06656	6.4
321.07547	41.5
322.08112	10.2
323.05444	8.6
323.09103	5.6
325.07068	69.5
326.07593	2.7
333.07660	7.4
335.05380	8.5
335.09140	27.5
336.06180	7.4
336.09772	2.9
337.07047	38.6
339.04791	2.5
339.08646	4.5
341.06665	11.3
345.07703	4.8
347.05374	2.9
347.09103	13.0
349.07056	39.8
349.11050	4.2
350.07825	4.5
351.08551	16.1
353.06506	7.9
355.07852	2.3
360.06418	2.2
361.06979	19.9
362.07639	2.3
363.08691	19.2
365.06491	13.5
365.10361	7.8
367.08167	5.1
373.07120	6.4
374.07635	3.0
375.08484	12.4
377.06491	10.7
377.10706	2.6
379.08157	25.2
385.06842	3.8
387.08493	2.5
389.06146	3.3
389.10245	6.0
391.08078	41.3
392.08319	2.6
393.09760	8.9
395.07516	4.0
403.08063	14.3
405.09488	4.4
407.07437	5.5
409.09174	40.0
417.09641	5.1
421.09143	24.0
425.08588	2.7
427.10416	20.0
431.11420	2.9
433.08804	2.8
435.10593	5.4
437.08075	2.1
439.10239	35.7
440.10498	2.2
443.09814	8.7
445.09268	6.5
449.12680	2.2
456.10355	2.1
457.11334	26.1
459.10876	3.5
461.10809	25.3
463.10159	15.3
475.10327	3.6
477.11838	3.5
481.11273	43.5
482.12112	2.4
487.10498	3.1
489.13870	3.9
493.11322	27.9
494.11414	2.3
495.13156	2.8
505.11273	12.0
511.12344	21.6
513.13733	6.7
523.12299	31.1
541.13416	58.1
542.13300	2.2
555.15015	3.5
559.14478	59.1
573.15533	4.9
577.15472	11.0
591.17059	2.6
609.17926	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79988	0.3
53.03956	0.8
55.05515	0.3
57.03429	0.7
61.02926	1.9
65.03944	1.0
65.18624	0.3
67.05530	0.7
69.03418	1.9
69.07066	0.7
69.36560	1.5
70.06582	1.6
71.05007	0.4
72.08148	0.5
73.02917	0.9
78.07158	0.3
79.05509	0.8
81.03410	3.2
81.07059	1.8
83.04974	0.7
83.08648	0.4
85.02911	3.3
85.06575	0.4
86.09721	1.1
89.03924	0.7
91.03967	1.1
91.05474	20.0
93.07046	2.4
95.04984	0.6
95.08615	0.5
97.02888	1.9
97.06520	0.7
99.04466	0.8
103.04008	0.4
103.05484	0.8
105.07024	1.7
107.08591	0.8
109.02876	1.7
109.10149	0.5
119.04942	28.6
119.08574	0.5
120.05336	0.4
120.08162	0.4
121.06517	2.8
121.10133	0.7
123.11749	0.6
124.51321	0.3
127.03927	1.4
127.07510	0.4
129.03323	0.5
131.04947	0.4
132.02100	0.9
133.10132	0.4
136.05217	0.5
145.02855	0.7
145.04970	0.7
147.04404	24.5
147.11696	2.1
149.02353	0.5
149.09642	1.0
157.03943	2.6
159.11681	0.4
163.06024	0.4
163.11121	0.5
164.04671	0.7
165.12788	0.9
175.03909	45.6
176.04274	0.5
179.07027	2.2
183.06477	0.5
187.11079	0.6
188.86270	0.3
192.04266	0.7
205.12236	2.8
207.06516	100.0
208.06921	1.6
223.13332	2.7
225.07532	1.2
229.14331	1.0
238.89206	0.3
267.15997	1.6
285.16940	2.7
286.04709	0.6
301.07098	1.5
333.39563	0.4
351.10754	4.0
369.07404	0.5
369.11810	7.1
411.19833	0.4
429.20953	0.6
609.22443	6.0
609.31342	1.6
610.22229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02353	0.5
53.03941	0.8
55.01876	1.0
55.05512	9.0
57.03444	2.2
57.07090	1.1
65.03935	1.1
67.05504	16.2
69.03459	0.5
69.07063	7.1
71.05005	0.6
79.05497	10.9
81.07057	15.9
83.04981	1.1
83.08615	4.4
85.06549	0.6
91.05482	10.2
93.07048	13.3
94.02090	0.4
95.04975	1.4
95.08604	14.5
97.06534	1.3
97.10155	2.2
99.08095	0.8
105.04522	0.8
105.07033	10.6
107.08600	9.3
109.06539	0.9
109.10150	6.4
111.08062	0.6
115.05518	0.6
117.07017	6.1
119.08585	8.9
121.10157	6.3
123.08081	0.7
123.11710	1.8
125.09657	1.3
128.06229	2.0
129.05554	0.6
129.07007	6.1
131.08572	8.9
132.08873	0.6
133.10132	8.9
135.11676	3.4
137.13316	0.9
139.11171	0.6
141.07024	3.6
142.07806	1.6
143.08568	7.1
144.09290	0.7
145.10133	9.8
147.11679	4.9
149.09572	0.6
149.13313	2.4
151.14822	0.5
153.07068	0.9
154.07767	0.7
155.08551	6.8
156.09439	0.9
157.10112	9.4
159.11691	7.6
161.09650	0.7
161.13277	3.3
163.11101	0.6
163.14871	0.6
166.07854	0.6
167.08539	3.4
168.09323	0.7
169.10130	8.0
171.11687	8.3
173.13255	4.2
175.14838	1.9
177.16399	0.5
179.08612	1.3
180.09267	0.8
181.10130	5.3
183.11684	9.5
184.12593	0.6
185.13260	6.5
187.14783	2.7
189.16399	1.1
189.32726	0.6
193.10141	1.2
194.11006	0.7
195.11673	5.6
197.13254	8.4
199.13235	0.7
199.14830	3.6
201.16362	2.1
202.44411	0.5
203.18062	0.8
207.11722	1.8
209.13252	4.7
211.14755	4.8
213.14702	0.6
213.16437	2.2
215.18094	0.6
221.13350	1.4
223.14838	3.5
225.16438	3.0
227.16135	0.8
227.18204	2.3
233.19069	0.6
235.14813	1.2
237.16429	2.6
239.18042	2.0
241.17715	0.6
241.19717	0.9
249.16373	1.1
251.18008	1.6
253.19670	0.9
259.20660	0.8
263.17880	1.0
265.19400	1.3
271.20557	0.6
275.20334	1.0
279.21228	0.7
279.64420	0.5
283.20728	1.0
297.19000	0.5
297.22110	0.9
307.20483	0.5
309.22174	0.6
311.23721	1.0
321.21841	0.7
323.23801	1.5
325.25400	0.6
335.23541	1.1
337.25317	1.4
339.23193	0.8
341.24683	0.6
347.23428	0.5
349.25323	0.9
351.23132	0.6
351.26932	1.9
355.26291	0.7
363.27017	0.7
365.28455	1.0
369.27957	0.8
377.27957	0.6
379.30234	0.8
381.27765	0.7
383.29639	0.6
391.30045	0.8
393.27521	0.6
409.30963	0.8
428.44269	0.5
433.30850	0.5
447.32291	1.6
449.34433	0.6
461.33633	0.7
475.35504	0.7
476.35760	0.6
499.39316	0.7
517.40436	7.7
518.40350	1.0
521.36322	0.8
525.35291	0.6
535.41626	3.5
539.37341	1.8
540.38245	1.0
541.38385	1.0
553.41718	0.5
573.43353	0.6
591.44098	7.7
592.43982	1.0
597.84283	0.5
609.45135	100.0
610.45453	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	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03942	1.1
54.42433	0.3
55.01863	1.3
55.05511	11.9
57.03440	3.0
57.07079	1.8
59.05003	0.4
60.70568	0.3
65.03920	1.4
66.04723	0.3
67.05503	21.9
69.03419	0.6
69.07066	10.1
71.04992	1.3
73.04762	0.3
75.77889	0.3
77.03953	0.6
79.05492	15.1
79.72685	0.3
81.07054	20.8
83.04987	1.2
83.08617	6.1
85.06558	1.0
91.05478	13.4
93.07046	15.3
95.04975	2.7
95.08604	18.5
97.06521	2.1
97.10168	3.0
98.23527	0.7
99.08086	1.0
103.05473	0.9
105.04529	1.1
105.07025	13.9
105.07732	0.7
107.04930	0.4
107.08591	10.3
109.06543	0.9
109.10160	7.8
109.10889	0.6
111.08098	1.0
111.11738	0.3
115.05471	1.2
117.07013	7.6
117.07796	0.5
119.08583	12.0
121.06453	0.4
121.09278	0.4
121.10144	6.3
123.08067	0.9
123.11707	2.2
125.09681	1.4
127.11164	0.3
128.06209	2.6
129.05550	0.5
129.07002	9.6
130.07793	1.0
131.08565	11.8
133.10123	9.1
135.11674	3.4
137.09673	0.4
137.13252	0.7
141.06985	5.0
142.07782	2.4
143.08557	13.6
144.09337	0.9
145.10120	13.1
147.11684	5.3
149.09518	0.4
149.13211	1.7
151.11156	0.4
151.15019	0.4
153.06979	1.6
154.07797	1.4
155.08559	11.4
156.09372	1.7
157.10123	12.7
159.11696	7.7
159.12930	0.5
161.13260	2.5
163.14842	1.0
165.07057	1.2
165.12949	0.4
166.07814	0.9
167.08562	5.2
168.09323	1.6
169.10120	13.3
170.10881	0.7
171.08058	0.5
171.11681	10.2
173.13261	4.8
175.14815	2.4
177.16434	0.4
179.08524	2.1
180.09349	0.7
181.10132	7.3
182.10931	1.4
183.11687	11.8
183.13329	0.6
184.12486	0.7
185.13252	7.7
187.14809	3.0
189.16412	1.3
191.08527	0.3
191.14388	0.4
193.10115	2.7
194.10912	0.8
195.11690	7.8
196.12448	0.9
197.13245	9.5
198.13942	0.7
199.11655	0.3
199.13116	0.5
199.14828	4.9
201.16367	1.8
203.17931	0.7
205.10191	0.7
207.11722	2.6
208.12517	0.7
209.13242	6.9
210.13947	0.5
211.14799	6.3
213.14693	0.6
213.16412	3.7
215.17941	0.7
219.11691	1.0
219.26808	0.4
221.13249	2.4
222.13963	0.5
223.14809	5.0
224.15504	0.5
225.16408	4.1
227.14474	0.4
227.18085	1.9
229.15945	0.4
229.19485	0.3
231.17555	0.4
233.13205	0.8
235.14838	2.8
237.16321	3.9
239.14377	0.4
239.18011	2.8
241.15881	0.4
241.19635	1.2
243.17488	0.3
247.14879	0.7
249.16331	1.5
251.17944	2.1
253.19661	1.6
255.21158	0.8
257.19183	0.5
259.20529	0.4
261.16309	0.4
261.18710	0.3
261.22131	0.4
263.17963	0.9
265.19553	1.3
266.45697	0.3
267.21439	0.4
269.18970	0.6
271.20547	0.3
275.17728	0.5
275.20355	0.6
277.19510	0.5
279.21115	0.9
281.22568	0.4
283.20453	0.8
285.18774	0.3
285.22070	0.5
287.23514	0.3
289.19333	0.6
291.21103	0.5
293.22824	0.5
295.20358	0.6
297.22122	0.8
299.23682	0.5
307.20596	0.5
307.24002	0.3
309.22241	0.8
311.20145	0.4
311.23621	0.7
315.23239	0.5
321.21872	0.7
323.23773	1.0
325.21603	0.6
325.25204	0.7
327.23303	0.9
331.22775	0.4
333.22079	0.3
335.23828	1.0
337.21579	0.5
337.25305	1.2
339.23218	0.8
339.26813	0.4
341.25031	0.4
349.25360	0.7
351.23151	0.5
351.26917	1.6
353.28387	0.4
355.06989	0.6
361.25143	0.6
363.26755	0.9
365.28479	1.2
367.26324	0.6
369.27969	0.5
377.28268	0.7
379.30035	0.9
381.28113	0.3
383.29550	0.4
391.30222	0.7
393.27310	0.5
393.31711	0.8
405.31979	0.5
407.29239	0.8
421.30914	0.5
425.30695	0.4
435.32605	0.8
447.32617	0.8
449.33978	0.7
461.33463	0.4
469.19046	0.4
475.35489	0.5
476.20761	0.4
487.34180	0.5
499.39655	1.5
501.35806	0.6
515.37762	0.5
517.40442	10.2
521.24414	0.4
521.36560	0.5
523.37634	0.4
525.35968	0.6
527.37323	0.4
535.41504	5.5
537.74213	0.3
539.37311	1.3
540.38062	0.8
541.38568	0.4
549.23712	0.4
553.42743	0.9
565.42932	0.5
573.43073	1.5
591.34552	0.5
591.44080	12.2
609.25848	4.4
609.45123	100.0
610.45343	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	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
55.05513	13.0
57.03427	3.1
57.07082	1.5
65.03932	1.0
67.05505	25.9
69.07068	11.4
69.21496	6.0
71.04987	1.4
71.08611	0.9
76.84161	0.8
79.05489	19.5
81.07059	25.7
81.10441	0.9
83.04993	2.0
83.08607	5.3
85.06515	1.2
91.05475	19.8
93.07050	19.7
93.07605	1.6
95.04974	3.2
95.08604	20.0
97.06535	2.1
97.10177	2.3
98.23427	1.8
101.34476	1.0
105.04523	1.5
105.07031	17.3
107.04955	1.4
107.08594	13.3
109.06510	1.3
109.10152	6.7
111.08101	1.3
115.05489	1.7
117.07025	10.2
119.08577	15.1
121.10162	6.6
123.08048	1.8
123.11713	3.0
128.06201	1.9
129.07011	8.6
130.07805	1.5
131.08566	12.7
133.10133	9.3
135.08037	1.2
135.11699	4.9
141.06984	5.3
142.07799	3.2
143.08556	11.7
145.10133	15.2
146.52809	1.0
147.11710	5.8
149.09579	1.4
149.13301	2.6
153.26633	0.9
155.08540	9.5
156.09421	1.2
157.10141	9.6
159.11688	8.4
161.09636	1.0
161.13290	3.9
163.11197	1.2
167.08542	4.9
168.09377	1.1
169.10107	11.0
169.11252	0.9
170.10864	1.1
171.11679	8.9
173.13303	5.0
175.14774	2.3
179.08595	1.2
180.09290	1.0
181.10101	7.4
182.10861	1.2
183.11671	10.4
185.13222	6.9
187.14879	2.9
193.10262	1.8
195.11671	5.5
196.12468	1.4
197.13234	8.0
199.14871	3.7
201.16380	2.1
207.11745	1.5
209.13274	4.0
209.28467	0.9
211.14848	4.0
213.16425	2.6
221.13225	1.9
223.14899	3.7
225.16469	2.6
227.18077	1.7
235.14958	2.0
237.16479	2.7
239.17967	2.1
249.16470	1.0
251.18008	2.0
257.19077	3.2
265.19565	1.4
275.20071	4.3
299.06345	1.0
305.17023	1.0
311.23584	1.1
323.23819	1.4
335.26117	2.2
351.26849	2.1
425.30521	1.0
447.32578	1.4
461.33350	1.5
475.34802	1.0
501.35385	1.3
517.40356	6.1
535.41486	3.8
539.37823	1.6
553.42499	1.1
591.44159	6.7
609.45129	100.0
610.45178	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	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03957	0.9
55.01870	1.2
55.05515	11.0
57.03434	2.3
57.07073	1.9
65.03936	1.5
67.05155	1.3
67.05505	21.6
69.03453	0.8
69.07069	12.0
69.21595	0.6
71.05003	1.1
71.08627	0.7
78.32047	0.6
79.05497	13.9
81.07056	20.4
83.04996	1.2
83.08617	6.1
85.06540	1.5
91.05464	12.4
93.07043	15.2
95.04977	2.5
95.08606	18.8
97.06527	1.5
97.10181	2.9
98.23547	1.4
105.04535	1.0
105.07020	12.4
107.08585	9.8
109.06596	1.2
109.10166	8.4
111.08068	0.7
115.05472	1.4
117.07020	8.7
119.08577	12.9
121.10139	7.5
123.08080	1.4
123.11760	2.1
125.09661	1.2
126.94174	0.6
128.06248	1.9
129.07002	10.6
131.08565	11.5
133.10129	8.9
135.10776	0.9
135.11641	4.0
137.13301	0.9
141.06979	4.3
142.07730	3.3
143.08572	13.1
144.09402	0.9
145.10130	13.7
147.11699	4.7
149.13284	2.8
153.07031	2.1
154.07764	0.9
154.24457	0.7
155.08556	9.5
156.09364	2.5
157.10124	14.6
159.11694	8.8
161.13280	2.5
165.07057	0.8
166.07872	0.9
167.08516	5.2
168.09377	1.6
169.10121	13.0
170.10733	0.9
171.11682	11.0
173.13272	4.4
175.14880	1.9
179.08597	2.1
180.09305	0.7
181.10086	7.9
183.11699	12.4
184.12457	1.0
185.09715	0.6
185.11652	1.0
185.13264	7.5
187.14915	3.0
189.16359	1.5
193.10165	3.5
194.10924	0.9
195.11681	9.0
197.13240	10.3
199.14832	5.1
201.16428	1.1
203.17995	0.7
203.83270	0.7
205.10153	0.9
207.11752	2.9
209.13306	6.2
210.13899	1.0
211.14806	6.9
213.16432	4.5
219.11716	1.1
221.13318	2.5
223.14789	4.9
225.16354	4.0
227.18068	2.1
233.13156	1.3
233.18970	0.8
235.14781	3.6
237.16354	3.2
239.09428	0.8
239.17934	3.8
241.19611	1.5
247.14842	1.0
249.16414	2.0
251.18059	1.9
253.19745	1.3
255.17162	0.8
257.19128	1.3
259.20599	1.0
263.18002	0.8
265.19580	1.0
277.19241	1.0
279.21103	0.8
283.20505	0.9
285.18521	0.8
295.20651	1.0
307.24530	0.8
309.22220	0.9
321.22067	1.1
323.20306	0.8
323.23825	1.0
333.22308	0.8
335.23834	2.2
337.25418	1.8
339.26776	1.3
347.23236	0.8
349.25247	1.3
351.26889	1.4
355.07205	1.2
355.26392	1.3
363.26730	1.0
365.28394	1.8
367.26181	1.0
379.29950	1.8
391.30399	1.1
393.31903	0.9
405.31357	0.7
407.29279	0.9
447.32437	1.2
449.34134	0.8
459.21954	0.9
459.31470	0.7
460.02762	0.8
495.35303	0.8
499.39755	1.5
501.36258	0.7
517.40460	11.3
521.35883	0.7
525.34973	0.9
527.23938	0.8
535.41638	4.5
539.36847	1.4
553.42181	1.3
573.43231	2.1
591.44153	12.9
592.26709	1.7
609.45129	100.0
610.45508	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	611.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01189	0.3
52.43043	0.3
70.11252	0.5
70.11590	0.5
94.93010	0.8
98.22698	0.4
115.84813	0.4
124.26251	0.4
134.96082	2.7
164.93523	4.4
171.02481	0.3
178.95085	1.3
188.93533	1.0
250.93517	1.8
268.94589	100.0
269.94901	1.8
328.95569	0.5
381.07895	3.5
426.06381	0.4
500.74869	0.4
559.54926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	isoorientin 7-O-glucoside
Peak:m/z	Relative Intensity
53.43944	0.5
55.01878	0.7
57.03449	0.6
68.99813	0.7
69.44601	1.6
70.06605	4.1
72.08165	1.7
75.25268	0.4
79.87478	0.5
81.03372	1.2
84.04511	0.5
84.08144	2.2
85.02913	2.3
86.09726	3.1
88.24464	0.5
93.03426	0.5
107.04948	1.0
109.02872	1.2
110.07165	1.6
120.08089	0.7
121.02891	0.8
129.10272	1.4
133.02908	0.5
135.04410	3.3
137.02339	9.2
141.01836	0.7
149.02344	0.9
153.01811	0.6
161.02348	2.3
163.03893	2.2
165.01828	10.7
167.03400	1.6
177.01889	1.6
177.05334	0.7
179.03410	1.7
181.05017	1.1
183.01294	0.5
183.02798	2.5
187.03836	1.1
189.01805	1.6
191.03406	1.9
195.02966	2.4
203.03413	2.9
205.04932	0.9
207.02898	1.5
209.04335	0.6
215.03288	1.1
217.04959	0.9
218.95197	0.6
219.02864	0.7
221.04445	0.6
229.04922	0.8
233.04419	1.4
243.03003	0.9
245.04387	0.7
245.18504	0.9
255.06548	1.1
261.03970	0.8
281.04391	0.6
283.05988	6.5
284.06573	0.6
285.03979	0.6
286.04727	2.4
287.05484	8.1
295.06003	2.6
297.04254	0.7
297.07565	11.6
299.05496	100.0
300.06155	7.6
307.06015	1.1
309.07489	0.9
310.04703	2.5
311.05515	21.9
311.09018	2.6
312.06100	1.8
313.03796	0.6
313.07056	3.1
321.07388	3.1
323.05515	9.7
323.09183	0.8
324.06262	4.8
325.03751	1.4
325.07050	32.8
326.07541	0.9
327.04840	1.1
329.06549	50.5
330.06845	1.6
337.07077	7.2
338.07761	2.0
339.05173	1.0
339.08609	19.5
340.08896	0.9
341.06561	14.8
349.06976	4.2
351.04977	0.6
351.08578	2.6
352.05682	0.7
353.06543	58.4
354.07013	2.7
361.07159	0.7
363.08527	2.0
365.06540	18.1
366.07159	0.8
367.08157	6.1
371.07645	1.8
377.06488	10.7
377.10748	1.0
379.08218	1.2
381.09753	1.9
383.07556	12.9
391.08136	1.6
395.07602	21.2
396.08160	0.7
403.08026	0.6
405.09604	1.2
407.07626	4.4
413.08685	13.0
413.99948	0.6
419.07520	4.0
425.08554	6.1
431.09756	19.2
437.08783	2.7
443.09726	6.1
449.10764	4.7
455.09653	3.2
461.10779	7.6
473.10797	12.4
479.09277	1.0
491.11844	12.5
492.11789	0.7
497.10828	7.8
515.11871	19.1
516.12140	1.3
521.10046	0.9
527.11804	3.8
539.11774	3.2
545.12933	18.4
546.12604	0.8
557.12878	5.3
575.05463	1.0
575.13947	13.4
576.13971	0.9
593.14972	17.7
594.15247	1.0
611.06561	0.9
611.16125	13.3
611.26459	0.7
611.29889	0.7
612.16223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
52.05772	0.4
52.96919	0.3
53.13819	0.3
57.03428	1.6
57.20197	0.4
59.11274	0.4
62.93697	0.3
68.58232	0.3
69.03421	0.6
69.12532	1.6
70.06570	0.9
71.04991	9.9
73.02914	0.5
75.04482	0.5
81.03398	0.6
83.04967	0.5
85.02403	0.8
85.02901	14.1
86.63148	0.4
87.04420	0.4
91.05264	0.4
91.05801	1.2
97.02882	1.3
100.12505	0.3
109.02840	0.4
111.00777	0.5
111.04436	0.6
121.02853	0.5
127.03898	0.8
129.05476	3.3
132.29713	0.3
137.02310	2.1
145.04964	0.8
147.06503	0.9
153.01822	2.7
163.03790	0.4
165.01773	1.0
183.02921	0.8
201.05470	1.1
229.04967	3.4
247.05942	0.6
257.04385	2.0
274.04568	0.5
285.03912	1.0
287.05533	0.7
303.04971	100.0
304.05304	3.2
306.68842	0.4
326.70709	0.4
356.07211	0.6
465.10513	0.7
510.86206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56657	0.4
55.01895	0.5
57.03431	1.6
61.02911	0.5
61.26830	0.4
68.99786	0.4
69.03423	1.3
70.06596	0.8
71.04589	0.5
71.04988	9.6
82.95088	0.4
83.04985	0.6
85.02903	14.5
91.05802	0.9
97.02903	1.2
109.02902	0.7
111.00783	1.1
121.02866	0.7
125.69369	0.3
127.03916	0.7
129.05489	2.9
137.02341	2.4
145.04985	0.7
147.06516	0.9
153.01834	2.7
163.03928	0.4
165.01863	1.7
182.09192	0.4
183.02905	0.9
187.40204	0.4
188.30234	0.4
201.05438	1.3
219.06544	0.5
229.05000	3.3
247.05963	0.7
257.04425	2.3
274.04562	0.5
285.00992	0.4
285.04028	0.9
287.05673	0.7
303.04977	100.0
304.05353	2.1
465.10056	0.5
637.60510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01875	1.6
55.05510	11.3
57.03434	2.5
57.07083	2.5
65.03912	1.0
67.05503	19.1
69.07068	9.7
71.05024	0.9
79.05500	13.0
81.07059	20.7
81.07504	1.7
83.08617	5.2
91.05479	9.8
91.05889	0.8
93.07043	15.5
95.04958	1.0
95.08609	16.5
97.06554	2.6
97.10188	2.9
105.07030	13.8
107.08588	9.2
109.10156	6.8
111.08078	1.1
117.07018	6.9
119.08569	12.6
121.10150	7.9
123.08106	1.1
123.11742	1.3
128.06223	1.4
129.06995	7.0
131.08572	12.5
133.10126	7.0
135.08025	0.9
135.11671	4.3
139.11229	1.2
141.07028	1.6
142.07822	1.7
143.08565	6.6
144.38460	0.9
145.10141	11.6
147.11655	4.2
149.13304	2.1
155.08611	4.0
157.10159	9.8
159.11702	10.6
161.13266	3.5
163.14845	1.7
167.08630	2.1
168.49055	1.0
169.10146	7.0
171.11673	7.8
173.13293	6.6
175.14900	3.0
177.16359	1.4
179.08482	1.0
181.10187	2.5
183.11746	7.2
185.13196	4.9
187.14944	2.7
189.16466	1.5
191.18016	1.0
195.11752	2.6
197.13298	4.0
199.14845	4.6
201.16464	1.3
203.17920	1.3
207.11632	1.0
209.13310	2.6
211.14856	4.5
213.16469	3.0
215.18071	1.9
217.19556	1.2
223.14938	2.1
225.16486	3.5
227.18065	1.3
229.19615	1.6
239.18118	1.9
241.19678	1.8
251.18109	1.1
253.19543	1.5
257.19006	1.1
259.20535	1.0
275.20169	1.1
311.23553	1.4
323.23700	1.1
353.28308	1.2
354.12701	1.0
409.31018	1.2
501.41428	1.4
513.35669	1.6
519.42065	6.7
522.06946	1.0
537.43109	6.0
541.38873	1.2
557.44904	1.0
582.65717	1.1
593.45697	9.1
597.52612	1.3
611.46674	100.0
612.46777	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51745	0.9
51.53763	1.1
53.03950	2.5
55.01865	1.6
55.05506	17.6
55.05750	1.7
57.03436	6.9
57.07085	3.6
65.03937	2.3
67.05502	48.6
67.05868	2.4
69.07065	15.0
69.24514	4.1
69.24924	1.6
71.04978	2.5
77.03937	1.4
79.05489	39.2
81.07053	49.8
83.08614	8.1
85.06557	1.8
90.81555	1.0
91.05473	33.4
93.07038	41.7
95.04958	6.6
95.08601	39.6
95.09207	1.4
97.06521	3.4
97.10172	3.4
98.23447	1.9
99.08127	1.2
103.05501	1.4
105.04543	2.4
105.07024	34.9
107.08595	25.1
109.06492	1.6
109.10152	15.0
111.08084	1.5
115.05463	1.2
117.07015	14.1
119.06034	1.1
119.08574	30.0
121.10139	19.9
121.10979	1.3
123.08076	1.6
123.11714	3.4
125.09651	2.2
128.06195	2.1
129.06996	10.1
129.40590	1.3
130.07799	1.3
131.08568	24.0
132.09036	1.1
133.10127	23.9
135.11702	11.1
137.09657	1.2
137.13281	1.8
141.07039	3.7
142.07764	1.4
143.08556	12.6
143.09451	1.0
145.10118	20.8
147.11674	19.1
149.09724	1.5
149.13235	8.9
155.05981	1.1
155.08603	5.0
157.10146	11.9
159.11681	20.0
161.09700	1.4
161.13242	12.8
161.14322	1.1
163.14883	3.2
167.08612	1.8
169.10086	6.3
170.10841	1.1
171.11705	12.4
173.13243	12.2
175.14836	4.9
175.25060	1.2
181.10072	2.3
183.11696	6.3
185.13228	9.1
187.14787	6.9
189.16370	1.7
193.10132	1.4
195.11678	2.2
197.13281	4.6
199.14792	6.8
201.16437	4.3
203.17987	2.1
209.13380	2.2
211.14888	3.2
213.16417	4.4
215.17935	2.5
221.13097	1.1
223.14848	1.8
225.16391	2.6
227.18111	3.0
229.19489	2.4
231.21072	2.5
239.17972	3.4
241.19424	7.8
243.17441	1.1
243.21147	1.5
257.19077	3.4
259.20572	22.0
259.23151	1.6
261.22223	4.0
273.21835	1.2
275.20059	1.3
299.23700	1.4
313.25342	1.3
315.23410	2.1
333.24261	13.1
335.25833	23.4
335.32101	1.3
337.27386	1.2
339.26907	1.5
353.28479	1.7
489.35934	1.3
515.37256	1.1
519.42096	5.7
537.43225	3.3
541.39160	1.8
593.45453	7.7
611.46667	100.0
612.46979	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03949	1.9
55.01866	1.5
55.05513	19.3
55.26029	0.6
57.03444	5.7
57.07064	2.3
65.03940	2.9
66.11531	0.6
67.05506	48.6
69.07070	16.6
71.04997	2.2
77.03931	2.5
79.05497	36.6
81.07060	45.4
83.04981	1.6
83.08620	7.1
85.06560	1.6
91.05469	34.5
92.05805	0.8
93.07046	42.1
95.04983	5.8
95.08610	36.6
96.08942	0.7
97.06541	3.0
97.10157	3.4
99.08094	1.3
103.05495	1.3
105.04542	3.0
105.07034	36.6
107.04909	0.7
107.08595	22.3
109.06517	1.4
109.10158	14.4
110.10442	0.8
111.08086	1.3
114.07401	0.7
115.05465	2.3
117.07024	14.9
119.07735	1.5
119.08587	30.6
121.10152	14.6
123.08089	1.2
123.11732	5.7
125.09641	0.9
128.06213	3.6
129.05540	0.8
129.07021	11.1
130.07820	1.1
131.08574	24.9
133.10133	20.2
135.11716	9.2
137.09688	0.7
137.13306	0.7
141.06931	3.2
142.07800	2.7
143.08565	12.9
144.09399	1.7
145.06598	0.6
145.10135	20.6
147.11687	15.7
149.13268	5.5
151.11237	0.9
151.14806	0.8
154.07832	0.9
155.08586	6.1
157.10123	11.7
159.11688	15.0
161.13252	10.5
161.35478	0.6
163.14894	3.1
167.08597	1.7
169.10133	6.6
169.11316	0.8
171.11694	10.8
173.13263	10.6
175.14854	5.3
177.12762	1.3
181.10175	2.7
183.11699	7.8
185.13246	8.1
187.14825	5.3
189.16396	1.4
193.10181	0.7
195.11734	2.6
196.12526	1.0
197.13255	5.1
199.14812	5.5
201.16481	2.9
203.18042	0.7
207.11723	1.5
209.13309	2.3
211.14807	3.2
213.16431	3.3
215.17975	2.1
217.15935	0.6
223.14850	1.5
225.16374	1.8
227.17963	2.0
229.19623	1.7
231.21088	1.6
239.18013	1.8
240.09785	0.7
241.19615	9.1
243.21144	1.4
253.19849	0.8
257.18991	3.3
259.20566	16.6
259.23111	1.4
260.21014	1.0
261.22220	3.0
271.20789	0.7
273.22144	1.0
277.21713	0.9
286.00952	0.8
297.22235	1.4
298.47531	0.7
299.23669	0.7
303.23343	0.9
304.05011	0.6
311.23645	1.2
313.25281	1.2
314.22250	0.8
315.23102	1.4
317.76276	0.7
331.22665	1.9
333.24268	11.2
335.25772	17.5
336.26035	1.0
337.27600	1.3
339.27011	1.2
353.74921	0.7
356.07193	1.5
367.30411	0.9
395.29047	0.8
449.33908	0.9
475.34879	0.7
501.35135	0.8
503.36893	0.8
519.42389	4.3
526.54480	0.7
537.43140	4.7
541.38971	1.2
593.45667	9.6
594.45984	0.8
604.09277	0.7
611.46722	100.0
612.47223	9.4
612.56866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.5
55.01828	0.9
55.05469	1.9
55.39795	0.3
56.04992	1.5
57.03440	3.1
58.06566	0.7
60.04483	1.0
61.02923	2.8
65.03910	0.7
67.04221	0.6
67.05501	6.1
68.04979	0.8
69.03429	10.7
69.07075	1.8
70.00291	0.8
70.06594	5.3
71.01332	0.4
71.04949	1.4
73.02913	3.6
74.73998	0.3
75.79037	0.3
79.05496	4.7
80.04962	1.1
81.03423	2.9
81.05737	0.6
81.07060	4.7
82.06581	7.6
83.08574	0.7
84.08154	1.7
85.02906	13.3
86.06072	1.9
86.09681	0.9
87.04473	2.9
91.03910	0.8
91.05468	2.7
93.07048	3.6
94.06567	6.5
95.04961	2.6
95.07333	2.4
95.08602	2.6
96.08133	11.7
97.02888	6.5
97.10153	0.4
97.78645	0.3
98.09647	0.5
98.23365	0.4
99.04407	1.3
101.02321	1.0
103.03899	0.7
105.06998	1.3
107.04944	1.5
107.08592	1.9
108.08122	3.3
109.02872	2.4
109.06483	0.6
109.08916	1.9
109.10102	0.9
110.09679	2.1
112.07608	2.2
113.08360	0.6
114.09108	0.5
117.06947	0.4
119.04862	0.5
119.08526	0.6
120.08078	0.6
121.06473	0.7
121.10108	1.0
122.09680	2.5
123.04428	34.6
123.10424	0.5
123.11742	0.4
124.11234	0.4
126.09141	0.5
127.03917	3.0
128.07028	0.7
131.08560	0.7
133.06432	0.5
134.93303	0.3
135.04317	0.4
136.11171	1.0
137.05997	2.0
145.04907	1.3
147.04382	2.1
147.07986	0.5
149.05949	2.8
150.12685	0.3
161.05954	2.3
163.07516	1.9
167.06935	0.4
173.05920	0.9
173.13263	0.4
175.03889	0.6
175.07491	0.8
178.08577	0.5
187.07457	0.4
201.09122	0.4
206.19041	4.8
207.06503	1.1
220.20599	0.4
224.20052	1.0
250.17950	0.3
264.19556	1.1
266.21207	0.5
268.10965	0.3
288.19598	0.8
302.21008	0.7
304.22632	1.0
314.21051	0.4
318.24417	0.6
328.22672	2.9
329.23602	0.4
330.24255	100.0
331.24634	4.3
346.23648	0.5
347.24438	0.6
348.25299	12.9
349.25690	0.4
357.06921	0.6
372.25201	1.8
390.26373	25.9
391.26630	1.4
408.27417	0.4
414.27350	0.3
432.27670	0.6
450.28503	51.6
451.28970	2.2
492.29565	2.5
552.31659	12.2
553.32001	0.9
612.33765	97.6
613.24847	0.6
613.34167	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	612.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	28.7
57.03434	12.0
60.63834	5.6
63.46007	5.1
65.03934	5.9
67.05503	97.7
69.07065	18.5
71.04989	39.8
75.24712	4.6
79.05498	62.7
81.07052	100.0
83.08621	11.6
85.06533	13.3
91.05452	70.1
93.07048	64.7
95.04975	7.7
95.08610	32.4
95.30550	4.8
97.06536	6.2
105.07024	65.0
107.08595	23.8
109.10162	19.0
117.07012	21.9
119.08578	39.3
121.10146	23.4
123.11696	16.8
125.09650	5.9
131.08571	29.4
133.10138	49.6
135.11687	18.3
143.08595	14.7
145.10129	9.5
147.11687	23.1
149.13246	16.1
151.11217	6.3
157.10152	13.5
159.11691	22.0
161.13196	9.2
171.11740	9.2
173.13286	12.6
185.13351	9.1
187.13150	7.5
187.14862	5.1
196.81844	5.3
199.14828	5.8
203.92313	5.1
257.17447	10.6
259.20676	35.9
276.65140	5.0
301.20050	27.3
315.23151	10.5
333.24170	37.8
335.25769	13.4
392.87952	5.4
435.32391	6.9
501.35745	98.6
527.37341	43.9
533.38220	7.6
545.38226	9.8
559.40070	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	613.1766
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
52.12867	0.9
53.03941	1.0
57.03417	1.2
62.53560	0.9
70.06614	1.2
70.18211	2.7
71.04993	8.9
81.03395	2.0
85.02898	12.2
85.23178	1.0
97.02905	1.5
127.03921	1.8
129.05470	2.5
137.02344	100.0
137.03433	6.4
139.03957	3.3
151.03949	2.5
162.87006	1.0
163.03989	1.3
177.01776	1.3
179.03377	8.0
195.03024	1.0
203.03426	3.2
208.14397	1.0
236.18674	1.0
253.06651	1.2
255.26486	1.1
287.05588	14.3
305.06537	35.2
306.06848	1.5
324.05414	1.1
329.06537	3.8
347.07510	1.7
433.11267	1.3
449.10803	2.5
528.49695	1.2
564.88190	1.1
582.87201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71902	3.0
56.96572	31.1
57.14390	3.0
68.43600	3.3
68.51486	3.5
70.06587	3.6
84.96045	3.1
98.91949	5.3
98.97581	78.4
101.18718	3.2
103.18246	2.9
104.10766	6.8
112.99111	26.3
115.33665	3.1
116.98627	34.0
128.98590	4.8
131.00159	36.2
134.99661	6.0
143.00151	9.2
146.99655	5.1
149.01231	29.9
158.99646	34.3
161.01216	7.8
167.02284	4.8
170.99664	4.2
172.02762	3.5
173.01198	5.9
177.00723	33.0
185.01157	4.0
191.02260	6.3
195.01787	4.6
199.02788	11.7
200.02299	5.9
203.02347	3.5
217.03773	7.0
219.01843	7.6
227.02142	3.8
237.02827	4.0
256.26196	3.5
275.04370	14.3
293.05423	53.1
311.06503	7.1
315.03714	3.6
316.06738	4.9
317.17859	89.8
335.18921	33.1
358.20547	9.8
367.13586	4.0
377.19772	9.5
391.21582	3.7
497.24313	9.8
537.29639	6.6
553.26886	100.0
554.26941	4.0
613.16724	4.6
613.36932	5.5
614.36548	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	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83092	0.9
56.96568	30.6
58.00205	0.9
60.09222	1.0
64.28095	0.9
67.05497	1.2
70.04298	1.9
70.04670	1.9
71.95267	1.1
81.07040	1.7
84.96038	3.6
88.72318	0.9
90.39140	0.9
98.97582	78.3
110.97577	6.3
112.99131	32.6
115.97842	1.2
116.98621	33.4
119.08595	1.1
124.99110	3.4
128.98593	6.2
131.00165	44.9
133.98871	1.0
134.99649	9.5
140.00203	4.0
140.98598	1.8
143.00140	10.8
144.98140	1.2
146.99609	3.1
149.00027	1.7
149.01216	27.7
152.98569	1.2
154.01770	3.5
155.00169	1.3
157.01746	1.9
158.01183	1.6
158.99641	39.1
161.01219	7.1
167.02301	4.5
170.99663	4.3
172.02820	2.9
173.01192	8.5
175.02794	0.9
177.00714	37.7
184.02898	1.2
185.01227	4.3
189.00706	4.8
191.02271	9.3
195.01898	2.2
199.02766	9.3
200.02296	5.1
201.00783	2.7
203.02307	5.8
205.03784	0.9
209.01161	3.0
214.03870	1.8
215.02328	4.6
217.03894	5.4
219.01740	10.3
227.00114	1.1
227.02348	3.2
233.03343	2.6
234.02798	1.1
237.02782	6.8
240.05563	1.4
275.04370	22.3
291.03955	1.3
293.05435	59.7
309.05048	1.3
311.06534	11.7
316.07104	8.6
317.17862	100.0
318.18283	2.4
334.08026	4.1
335.18915	35.8
358.20532	12.4
359.19415	1.4
373.20248	1.7
377.19836	9.2
391.21625	4.7
403.21497	2.9
497.24265	5.1
525.42487	1.1
535.25562	1.3
553.26843	86.0
554.26807	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20849	0.3
56.05030	1.6
56.35212	0.3
57.04692	0.3
60.04533	2.3
68.05029	0.7
68.53288	0.3
68.74322	0.3
69.27191	0.5
69.27599	1.3
70.06594	100.0
71.06921	0.9
72.08152	2.5
74.06082	6.8
84.04491	1.2
84.08144	1.2
86.09711	1.5
96.08096	0.4
98.06053	4.4
100.07610	0.4
102.05552	1.6
110.06036	2.5
110.07171	1.0
112.03964	2.5
116.07095	1.0
118.06807	0.4
121.02934	0.5
126.05522	3.7
127.08659	1.7
129.10303	0.5
130.05019	1.6
136.07599	0.4
145.09737	1.8
153.10255	0.5
155.08145	3.5
167.11789	0.9
169.13385	2.8
171.11337	0.8
173.09239	0.7
181.09766	1.1
183.07664	5.1
193.05138	0.3
195.11328	2.1
197.12933	0.9
199.10818	0.5
201.08699	2.6
203.33456	0.3
213.12315	0.5
215.13921	41.3
216.14272	0.6
224.13997	0.7
236.81500	0.3
238.12106	0.5
256.13028	1.3
258.10825	0.8
263.43860	0.4
266.11383	1.0
274.14023	1.5
284.12381	5.3
294.17926	0.6
302.13437	2.6
312.19165	91.0
313.19565	2.0
343.19739	0.6
353.18323	0.8
355.16095	0.5
363.16724	0.9
381.17603	1.7
413.23904	1.6
466.26675	0.4
595.30597	1.3
613.37299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3714
Annotation	Mancinellin
Peak:m/z	Relative Intensity
50.21474	0.8
50.31476	0.7
53.93181	0.7
55.05507	1.9
55.48265	0.7
57.03395	0.8
60.13695	0.7
63.02048	0.7
63.93121	0.7
67.05501	2.9
69.07064	1.4
73.05540	0.9
79.05491	3.1
81.07060	3.5
82.16317	0.8
83.08624	1.0
91.05463	1.7
93.07049	3.3
95.04970	1.4
95.08601	2.2
96.97588	0.9
105.07030	2.2
107.08591	1.9
108.15574	0.8
117.07021	1.2
119.08600	1.8
121.10147	1.5
133.10132	1.5
147.11742	1.0
263.12613	2.8
315.03793	0.8
319.15265	3.5
333.20490	4.5
333.23984	0.9
373.23428	1.1
389.23541	1.1
465.72775	0.8
529.25031	1.5
553.26691	1.2
581.39136	0.9
595.35999	17.5
613.37048	100.0
614.37598	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	614.484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32375	1.1
55.05508	3.7
57.07074	51.9
67.05505	1.9
69.07063	8.9
69.73100	3.9
71.08631	48.3
73.06572	7.9
79.05504	2.4
81.07056	4.1
83.04975	1.6
83.08616	5.4
84.05965	1.0
85.10184	28.2
87.04465	7.2
89.06030	100.0
93.07043	4.2
95.08607	3.6
97.06481	1.3
97.10166	3.3
99.11751	5.5
99.52377	1.1
105.07023	2.4
107.07081	2.2
107.08597	3.7
109.10186	1.8
111.11713	4.6
113.13284	5.2
117.07032	1.3
117.09105	6.5
119.08598	1.8
121.10133	2.5
125.09603	1.2
125.13246	2.0
127.14838	3.9
130.08643	3.8
131.07042	1.9
131.08566	1.5
133.08606	67.6
139.11198	1.5
145.10153	1.9
157.10161	1.1
159.11673	1.2
161.11768	1.9
163.11052	1.2
171.11696	1.3
175.09665	1.5
177.11229	36.8
177.12758	2.8
183.20984	1.4
196.16374	1.0
198.97444	2.8
209.13235	1.1
217.99368	1.1
221.13803	8.9
221.15472	1.0
223.15381	2.1
227.23512	1.4
233.15555	1.5
239.14830	1.3
253.19743	1.2
254.32825	1.3
265.16513	2.2
271.26160	6.5
283.17566	3.3
309.18839	1.8
315.28909	7.6
327.20117	2.2
371.22766	2.2
415.25256	9.8
529.24933	3.0
597.37799	1.7
597.45886	19.5
598.45569	1.3
614.39575	1.2
614.48547	8.7
615.34003	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19766	0.4
69.37549	0.4
69.71217	0.8
69.71609	0.8
70.06590	3.2
72.08157	1.1
81.64436	0.4
84.08142	0.4
86.09685	1.8
110.75401	0.4
111.00558	0.4
125.82790	0.4
127.03886	0.5
177.47499	0.4
185.04179	1.2
200.05026	0.4
229.12003	2.3
231.09947	1.2
247.13054	1.6
273.10913	0.6
291.12030	100.0
292.12366	1.8
370.88901	0.4
399.04080	0.5
441.04819	0.6
453.17334	85.2
454.17682	2.5
482.58371	0.6
614.34625	0.5
615.22510	50.4
616.22723	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	615.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70308	0.4
56.13792	0.5
60.04509	0.6
70.06592	11.8
70.36874	1.0
72.08127	0.8
76.23512	0.4
84.04488	0.6
84.08141	0.7
86.09718	2.8
120.08064	0.7
129.10367	0.4
175.07213	0.6
185.04222	1.6
203.06808	0.6
209.92351	0.4
229.11983	0.8
229.15443	4.9
247.13094	3.6
273.10934	0.7
291.12024	73.5
292.12433	1.1
423.23318	0.5
435.99063	0.6
441.05161	0.7
453.17310	100.0
454.17792	2.3
615.22571	68.9
616.22821	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	615.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22760	2.2
56.96566	34.9
64.88195	2.1
68.23737	2.3
73.66260	2.4
84.96045	3.4
98.91958	6.6
98.97590	82.9
110.97568	5.4
112.99142	28.8
116.98634	33.5
128.98608	6.5
131.00166	41.3
134.99675	10.6
140.00194	3.7
140.98668	2.5
143.00172	8.6
146.99672	4.6
149.01234	31.0
149.06042	5.0
154.01736	3.4
158.99658	37.8
161.01237	9.3
167.02269	5.1
170.99603	3.7
172.02870	3.3
173.01273	7.2
174.63162	2.5
177.00725	38.0
185.01344	5.1
189.00635	2.8
191.02319	9.1
195.01752	5.5
199.02740	11.2
200.02367	6.3
203.02313	4.8
209.01276	2.6
214.04198	2.3
215.02202	3.4
217.03903	3.3
219.01715	5.4
227.02376	2.9
237.02869	6.7
275.04443	13.7
293.05447	44.2
307.81564	2.7
311.06442	14.1
316.07037	10.6
319.19431	44.9
334.08255	2.9
337.20520	72.8
341.10269	3.4
342.10428	4.4
355.21524	3.0
360.22021	9.1
379.21609	24.8
393.23026	4.1
450.63803	2.3
496.38480	2.3
499.25806	4.3
523.97485	2.4
539.31519	5.9
555.28424	100.0
556.28467	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	616.29
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75767	0.4
55.01870	2.9
55.05293	0.5
55.05512	5.0
56.05021	1.0
57.07066	0.9
58.99585	5.3
67.05502	4.8
69.03441	0.5
69.07063	1.9
70.02953	0.7
70.30794	1.2
71.04988	0.7
71.08620	1.9
74.00660	1.9
76.02228	8.5
79.05491	3.9
80.05013	1.3
81.03410	1.0
81.07050	4.8
82.05302	0.4
83.04972	1.1
83.06084	2.2
83.08617	3.3
84.04504	10.3
85.01115	0.4
85.04008	0.5
85.06556	0.4
85.10183	0.8
86.00658	1.1
86.99054	1.8
87.02659	0.5
88.02226	0.8
91.05473	3.2
93.07029	3.7
94.06560	1.1
95.04979	2.6
95.08601	3.2
97.01109	2.3
97.06506	0.5
97.10166	4.1
97.13435	0.5
98.22704	0.5
99.02676	0.5
99.05569	0.9
99.08075	1.2
105.07024	1.6
106.06557	0.7
107.04969	1.7
107.08591	3.6
109.06565	0.5
109.10147	1.3
110.06048	0.8
111.02675	1.9
111.04420	0.7
111.08088	1.8
112.02191	3.0
113.00607	1.7
113.03036	0.6
113.06026	0.7
114.03706	0.4
115.02133	1.3
116.01672	6.2
117.07018	1.1
119.08590	1.9
121.06542	0.5
121.10135	1.3
123.02657	1.2
123.08051	0.9
125.00555	0.5
125.04264	0.6
125.09604	3.3
126.03742	2.4
127.02135	1.0
129.06560	2.2
130.04990	3.0
131.04543	0.8
131.08554	1.1
133.10150	2.8
135.08037	1.1
135.11700	1.4
137.04222	0.9
137.09654	0.9
138.03696	1.1
139.02142	2.6
139.03149	0.9
140.01700	1.0
141.04794	0.8
142.03229	1.5
143.08606	0.8
144.01146	2.0
145.06126	1.6
145.10133	0.8
147.02615	0.5
147.11647	0.6
149.04204	0.5
149.09682	0.9
150.12784	0.9
151.11168	1.0
152.01671	0.5
153.06529	0.8
153.09131	0.8
153.12750	1.4
155.08281	0.8
161.09532	1.0
162.02222	4.3
163.11168	1.6
165.07341	1.0
170.02809	0.5
171.08365	3.5
177.03293	2.2
178.12341	1.1
179.04807	3.0
179.10664	0.6
181.06041	0.5
181.12277	0.7
185.03792	3.2
187.05356	2.0
189.03310	1.1
189.11244	1.6
192.13766	0.6
193.06874	0.7
193.12254	2.5
194.10043	1.1
195.08363	3.1
196.11555	1.6
197.09894	0.8
199.07166	1.0
203.08873	0.4
204.13837	0.7
207.08543	0.5
208.11626	0.9
210.09381	0.5
213.09421	1.7
215.04892	0.6
219.08324	0.6
222.09514	2.4
223.07910	0.6
224.11053	1.9
225.09367	1.0
231.04300	3.4
233.05911	4.2
236.11061	1.7
238.12679	1.5
240.10506	1.7
242.12079	0.7
243.04211	0.5
245.05850	0.6
245.18846	0.5
248.11029	0.5
251.11002	0.5
254.12088	3.2
256.13940	0.6
262.21677	0.5
266.12186	1.5
273.18600	0.6
275.20175	0.6
277.16159	0.6
282.11679	0.8
291.19427	3.3
293.21143	1.9
294.19189	0.5
295.17212	0.6
299.14313	0.7
305.15771	0.7
308.08984	1.7
308.22324	0.6
311.14047	2.2
312.19968	0.9
320.20535	1.9
322.18301	0.6
323.16779	6.0
324.20111	0.6
330.18918	1.0
331.17099	0.7
338.21564	1.6
339.19882	0.5
340.19437	1.2
348.19907	8.7
349.18320	3.2
357.14859	1.7
365.79996	0.5
366.20953	18.0
367.19556	1.8
376.19321	0.9
384.22104	3.5
394.20386	1.0
405.22144	1.0
423.23022	1.1
441.24283	0.9
451.22577	4.2
452.21313	0.7
469.23660	100.0
470.24091	2.7
487.24722	0.7
523.24719	0.9
535.24512	0.5
541.25702	10.4
598.27496	2.6
605.39386	0.6
616.28888	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	616.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36152	0.2
56.05030	0.7
56.96565	3.2
58.06590	0.9
60.07867	0.3
60.08165	6.4
67.05490	0.6
69.07070	0.3
70.06604	0.2
71.07369	3.5
72.08157	0.9
74.83719	0.2
79.05501	0.5
81.07043	0.6
86.09705	15.4
91.05479	0.5
93.07031	0.6
95.04981	0.4
95.08590	0.5
97.96793	0.3
102.23072	0.2
102.92619	0.9
104.10742	100.0
105.07040	0.6
105.11095	0.7
107.08627	0.4
109.06477	0.2
109.10171	0.3
110.97592	0.5
115.97863	0.2
116.98610	0.3
117.07105	0.2
118.92096	0.7
119.08568	0.3
121.10122	0.5
124.99974	0.3
128.98605	0.8
133.10143	0.2
136.93102	1.8
141.38747	0.2
145.10085	0.4
146.99673	0.5
149.09698	0.3
154.94159	3.1
157.10161	0.3
162.94600	1.4
167.10683	0.8
171.11783	0.2
172.95255	3.1
180.95735	4.6
189.04262	0.3
190.96323	0.7
192.95731	0.2
195.96774	0.4
198.96796	12.3
200.98514	0.2
204.06615	0.3
209.08525	0.2
210.96820	0.8
216.97852	5.6
221.98430	0.9
228.97873	1.7
233.15393	0.3
236.98389	0.4
239.99533	0.6
240.09976	0.3
240.97697	0.3
244.02560	0.2
245.10674	0.4
254.99335	1.1
258.04187	0.4
273.00461	0.3
279.12704	0.4
282.04214	0.8
283.01874	0.5
296.05731	0.3
300.05273	0.7
314.06921	0.6
317.17871	19.6
318.18481	0.5
335.18954	7.2
335.23053	0.4
353.20184	0.3
358.20511	2.1
373.20569	0.6
395.97577	0.2
397.14685	0.4
437.17603	0.9
441.17352	0.8
453.17108	1.7
459.19034	0.3
471.18329	2.5
494.19815	0.5
497.19821	3.0
500.24460	8.0
513.12323	0.3
556.27081	16.5
557.27716	0.6
616.29230	9.9
616.40436	0.7
617.27795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28535	0.2
55.05497	0.3
56.04196	0.4
56.05017	1.3
56.96565	4.2
58.06593	1.2
60.07865	0.4
60.08160	6.6
63.58988	0.3
67.05495	0.8
69.72351	1.0
70.06590	0.3
71.07368	5.0
72.08146	1.0
79.05482	0.8
81.07048	0.8
86.09704	20.2
91.05453	0.4
93.07042	0.9
95.08613	0.8
97.96784	0.8
98.97582	0.5
98.98447	0.4
102.92606	1.0
104.10741	100.0
105.07034	0.4
105.11086	0.7
107.08570	0.3
108.59012	0.3
110.97569	0.7
118.92061	1.0
119.08597	0.3
121.10126	0.7
124.99995	1.4
128.98637	0.7
136.93132	3.0
137.02675	0.4
146.99658	0.6
154.94167	5.1
155.14551	0.3
159.84776	0.3
161.01241	0.3
161.46350	0.3
162.94646	2.0
167.10541	0.4
172.95216	5.2
178.40498	0.2
180.95732	8.5
181.02692	0.4
184.07368	0.6
190.96301	1.1
198.96786	18.1
203.97299	0.5
210.96793	1.9
216.97853	7.4
221.98463	1.2
228.97871	2.0
236.98451	0.9
239.99345	0.5
240.09949	2.2
240.97839	0.5
254.99457	1.3
258.98853	0.4
282.04175	1.0
282.35904	0.3
282.38934	0.3
296.05716	0.6
300.05090	1.3
312.05185	0.3
314.06754	1.0
317.17862	25.6
318.18256	0.7
323.06488	0.4
333.17169	0.4
335.18912	9.0
335.25357	0.3
337.59796	0.4
358.20590	1.9
373.20493	0.9
397.14423	0.3
437.17673	1.7
441.17279	1.2
453.17023	3.3
454.17096	0.4
458.70752	0.3
471.18158	4.1
497.19727	4.4
500.24475	9.9
500.31769	0.7
504.72223	1.3
556.27094	18.3
557.27307	0.8
616.29218	14.9
617.29633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.06816	0.4
57.07076	6.2
58.06587	1.1
62.05778	0.4
62.06087	5.5
63.17583	0.3
67.05491	0.4
69.07066	0.4
71.08629	3.1
71.46311	0.3
71.46790	0.3
85.10172	1.2
85.91668	0.3
123.08086	0.4
130.99333	0.4
132.78088	0.3
138.62315	0.3
212.23735	3.5
230.24782	100.0
231.25032	2.0
246.18390	0.4
252.67117	0.3
289.41052	0.4
309.45309	0.3
350.01938	0.4
526.78992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54523	1.2
55.05501	5.1
57.06033	1.1
57.07083	24.5
57.72422	1.4
59.04989	1.5
67.05495	4.1
69.07072	1.7
70.06586	3.7
71.08630	24.8
73.06556	8.1
79.05486	3.1
81.07053	4.5
83.08611	5.1
85.02843	1.2
85.10190	25.1
87.04473	7.1
89.06034	100.0
91.05479	3.3
93.07046	4.4
95.04955	2.6
95.08624	2.7
97.06551	1.7
98.22533	1.3
99.11749	2.6
105.07026	5.0
107.07099	1.4
107.08595	5.3
108.08893	1.7
109.06510	2.0
109.10162	2.1
111.08049	1.4
115.05418	1.4
117.09130	6.7
119.08553	3.3
121.10143	4.8
123.08063	2.2
124.79584	1.4
129.06992	1.6
130.08656	2.8
131.07053	2.6
131.08537	2.0
133.08612	54.7
133.10164	3.9
135.10187	1.5
141.16396	4.9
145.10132	2.5
149.09546	1.5
157.10158	1.8
159.08063	1.4
165.09064	3.0
167.10670	3.6
168.11057	1.4
171.11635	1.7
175.09555	1.5
175.11075	1.6
177.11230	19.9
181.12106	1.6
185.19023	7.0
189.12686	1.4
195.11507	1.8
221.13789	4.1
221.15570	3.2
224.21841	1.4
229.21620	13.8
233.15413	2.4
234.15889	1.5
239.14902	1.9
249.10883	2.7
267.12216	2.0
273.24210	6.6
281.32300	1.4
283.17603	2.0
299.79428	1.6
327.20099	1.6
341.83728	1.5
459.27994	2.2
461.19614	1.5
485.78842	1.3
599.35083	2.4
599.43518	7.1
616.34644	21.0
617.36334	19.4
625.31189	1.5
628.32379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73031	0.6
56.05041	0.8
68.05032	0.8
68.19097	0.6
69.10045	1.6
69.10455	2.4
70.06597	15.2
72.08154	3.6
75.29342	0.6
84.04525	1.5
84.08130	3.6
85.02923	0.7
85.08422	0.6
86.06075	2.1
86.09187	1.5
86.09709	27.7
93.07004	0.7
102.05573	1.0
106.04173	0.8
110.07203	1.4
113.02120	0.8
113.61424	0.6
117.14690	0.7
120.08125	1.0
121.06550	1.5
126.72980	0.8
127.03704	0.9
128.07080	0.7
129.10255	2.5
132.10252	1.6
137.38737	0.7
143.03206	3.1
143.11803	3.4
149.06007	1.6
157.13380	7.7
160.76935	0.7
161.06097	0.8
171.11314	2.3
177.05383	1.4
183.14943	1.2
185.12871	7.7
185.14287	0.9
191.07024	0.7
193.08592	0.9
200.13940	0.8
209.08073	3.1
210.08521	1.0
211.14415	1.5
218.34737	0.7
245.15048	2.7
291.11572	0.6
304.06873	0.7
305.04337	2.7
306.05026	2.0
307.05737	0.8
316.22406	2.3
317.04337	2.7
319.02536	0.8
319.05765	4.5
320.06442	4.7
335.05151	4.5
342.20120	0.7
347.05399	5.1
347.09186	1.3
347.98862	0.6
348.06003	1.5
359.05273	1.0
365.06461	1.2
375.04938	1.1
377.06375	4.3
385.07727	0.9
387.04755	1.3
401.06546	0.9
405.05661	1.6
407.07587	1.2
407.20166	1.8
408.07361	0.7
413.06326	1.1
419.07578	1.5
431.07437	2.4
435.06842	0.7
437.08600	2.9
443.07837	1.3
447.06989	1.1
449.08347	2.2
451.09824	1.2
454.17789	1.2
455.09222	1.3
455.28656	1.5
461.08698	2.4
467.09506	1.3
468.10446	1.6
473.08478	0.9
477.08044	1.3
478.08646	1.4
479.09683	4.7
491.09509	1.9
495.08896	1.5
496.09866	7.6
497.10391	7.1
504.25766	0.8
507.09363	0.8
509.10480	10.1
510.10895	0.7
515.10596	0.9
527.11609	34.4
528.12506	1.1
563.11469	2.0
572.22565	0.8
581.12683	13.5
599.13721	87.6
600.13910	3.2
617.14758	100.0
618.15192	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	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	71.7
57.07071	10.4
60.63621	5.7
67.05488	25.4
69.03407	16.0
69.07062	11.1
70.06583	23.4
71.04994	9.4
79.05496	21.1
81.07056	35.7
83.04966	22.4
83.08626	100.0
85.06532	13.3
91.05482	50.3
93.07039	50.8
94.30843	5.8
95.04954	24.2
95.08599	30.3
97.06527	34.4
105.07033	62.4
107.08593	78.1
109.06493	15.3
109.10159	24.2
111.08096	9.0
113.09634	18.7
117.06996	16.6
119.08588	67.2
121.06514	11.3
121.10122	42.0
123.08042	23.0
125.09610	25.7
128.06207	8.1
129.07001	19.9
131.08556	36.6
133.10132	29.5
135.08046	11.0
135.11653	6.2
137.09590	7.5
139.11172	10.4
141.06969	9.4
142.07758	19.4
143.08545	34.2
144.09348	6.9
145.10115	41.4
147.11722	8.8
149.09598	14.0
151.07330	6.0
153.12712	9.5
155.08569	13.5
155.10683	19.9
156.09352	19.7
157.10129	45.7
159.08078	13.4
159.11667	21.9
161.09618	13.1
163.11217	6.2
165.06995	5.8
167.08607	7.4
167.10667	33.9
169.10098	25.5
170.10886	9.1
171.11737	30.8
173.13277	26.7
179.08543	13.0
180.09363	5.4
181.10109	13.2
181.12196	29.7
182.10948	6.6
183.11658	15.2
185.13249	14.9
191.14297	8.2
193.10182	13.8
193.11958	5.9
194.10924	10.1
195.11662	19.7
197.13232	23.1
199.11180	5.3
199.14787	15.5
205.10153	6.5
207.11749	15.5
208.12492	11.2
209.13239	26.6
211.14833	11.6
217.15961	8.7
219.11681	7.2
221.13367	11.5
221.15352	27.4
223.14822	19.4
225.16347	6.8
233.13261	10.9
233.15370	23.9
235.14786	10.5
247.14798	7.8
249.16408	7.1
259.35641	5.8
261.16214	8.1
263.18002	12.0
269.18738	5.7
286.18994	6.1
299.20047	16.1
311.20139	6.8
329.87753	6.8
385.95560	5.5
413.28601	10.9
560.41180	7.4
581.39313	18.3
599.41107	9.6
617.23401	49.3
617.34631	66.7
618.23596	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	618.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.05507	6.7
57.03419	0.7
58.99577	3.0
65.47980	0.6
67.05501	6.4
69.03419	0.7
69.07059	2.2
70.60723	1.4
71.08639	0.7
76.02226	9.5
76.03999	1.0
79.05486	5.5
81.03391	1.8
81.07052	6.7
82.68176	0.6
83.04983	1.4
83.06101	0.9
83.08608	4.4
84.04497	3.8
85.02903	1.2
85.06537	1.1
86.99054	1.4
91.05466	4.2
93.07038	4.6
95.04961	30.5
95.08614	3.0
97.01160	1.1
97.06514	1.0
97.10168	3.1
99.08085	1.0
105.06991	3.4
107.04944	2.1
107.08596	4.6
109.06509	2.3
109.10135	2.4
109.88573	0.7
111.02637	0.8
111.04434	0.9
111.08068	2.4
116.01656	5.2
117.06992	1.9
117.22250	0.6
119.08562	2.0
121.06495	1.4
121.10144	3.3
123.08031	1.8
125.09631	2.3
129.06706	0.7
130.04996	2.8
131.04478	0.8
131.08568	2.1
133.10129	1.8
135.08052	1.8
135.11726	1.1
142.03194	1.1
143.91173	0.6
144.01108	1.8
145.10165	3.5
147.07996	1.5
147.11676	1.6
149.09637	5.8
150.12738	0.7
150.49123	0.7
159.11685	2.2
162.02217	8.0
163.11168	9.3
165.12735	1.5
169.10144	1.2
177.03302	1.5
177.12677	1.2
179.04834	12.3
185.03757	0.8
186.02547	0.6
187.11145	1.2
189.11249	0.9
193.12296	1.0
201.57768	0.7
205.12236	2.0
215.90306	0.6
223.13284	11.7
233.05885	2.8
237.15105	0.9
275.20023	6.2
290.64432	0.7
293.21082	100.0
294.21500	4.1
295.22635	2.2
297.99860	0.7
299.14392	1.1
308.09088	16.9
368.22672	1.6
369.21011	2.2
471.25165	1.4
543.27063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
56.05043	1.2
56.96288	0.3
56.96563	4.8
57.03429	0.4
58.06598	0.8
60.07868	0.5
60.08163	6.2
67.05489	0.7
69.07062	0.6
70.06567	0.3
71.07370	5.7
72.08158	1.0
76.99511	0.2
79.05471	0.4
81.07065	1.1
86.09706	21.8
87.10062	0.3
93.07040	0.4
95.08601	0.6
97.96793	0.2
102.92604	1.2
104.10739	100.0
105.11073	1.0
109.10158	0.5
110.97575	0.4
117.14948	0.2
118.92059	1.1
124.99982	1.3
128.98633	0.5
136.93123	3.0
136.94077	0.3
146.99654	0.3
154.94174	4.9
155.03746	0.3
162.94611	1.5
172.95230	5.2
172.96642	0.3
177.95786	0.3
180.95721	7.6
181.02594	0.4
184.07457	0.3
190.96280	1.7
195.96872	0.4
197.48712	0.3
198.96786	19.9
199.97266	0.2
203.97375	0.3
204.06914	0.3
210.96858	1.6
216.97842	10.2
221.04958	0.2
221.98384	1.7
228.97806	2.9
236.98409	0.4
239.99490	0.6
240.10010	1.4
240.97862	0.3
246.98982	0.3
254.99460	1.5
258.04245	0.5
273.00537	0.4
282.04117	1.1
296.05856	0.4
300.05267	0.9
312.05014	0.2
314.06909	0.7
319.19415	12.3
320.19751	0.4
335.18906	0.3
337.20486	17.3
338.20911	0.8
355.21701	0.6
360.22174	2.4
397.88925	0.2
399.15979	0.4
417.17184	0.3
438.03015	0.3
439.19098	1.4
443.18643	1.2
455.18643	1.8
457.20288	0.3
473.13083	0.3
473.19745	5.5
473.26123	0.4
483.25189	0.3
496.21674	0.4
499.21326	5.1
502.26065	9.5
502.32068	0.4
503.25763	0.4
506.73441	0.7
507.23849	0.3
542.32062	0.4
558.28680	16.8
559.29077	0.9
618.30768	18.7
619.31268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05024	0.6
56.96566	3.4
58.06598	1.0
60.08163	7.1
67.05497	0.5
69.07051	0.2
69.10365	0.7
69.10772	0.5
71.07372	3.6
72.08144	0.6
79.05475	0.3
81.07045	0.7
83.08615	0.4
86.09705	14.0
86.63683	0.2
91.05479	0.3
93.07040	0.6
95.04942	0.2
95.08608	0.4
98.22632	0.3
102.92615	1.0
104.10739	100.0
105.07014	0.7
105.11065	1.2
107.08575	0.4
109.10181	0.2
110.97551	0.3
115.97876	0.2
116.98615	0.2
118.92043	0.9
119.08596	0.4
121.10122	0.4
123.11664	0.2
124.99982	0.2
128.98621	0.5
131.08542	0.2
133.10149	0.5
136.93117	2.3
145.10092	0.4
146.99643	0.3
153.41455	0.2
154.94162	3.2
157.10124	0.4
159.11620	0.2
162.94644	1.3
172.95242	3.5
180.95728	6.2
183.11694	0.2
190.96283	1.1
192.95692	0.3
195.96805	0.3
197.13304	0.2
198.96786	14.4
203.06001	0.2
203.97487	0.2
209.13193	0.3
210.96710	1.6
216.97852	6.7
221.98392	1.1
228.97838	1.6
233.15346	0.2
236.98340	0.5
239.09502	0.2
239.99538	0.4
240.03282	0.2
240.10002	0.5
246.98923	0.3
251.99304	0.2
254.99393	1.3
258.04218	0.4
273.00476	0.2
282.04184	0.5
283.02045	0.2
296.05670	0.2
300.05118	0.5
314.06750	0.7
319.19424	10.0
320.19730	0.4
337.20474	13.3
338.20996	0.4
355.21609	0.6
360.22043	1.8
371.20111	0.2
399.16751	0.2
417.17093	0.2
439.19321	0.8
443.18903	0.9
455.18600	0.7
461.20724	0.3
473.19785	3.4
474.91522	0.2
479.79062	0.2
496.21109	0.2
499.21259	3.3
502.26044	7.6
503.26343	0.4
524.82629	0.2
558.28680	13.1
559.28918	1.0
618.30750	11.7
619.30664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.05034	1.9
64.97120	0.4
70.06592	100.0
70.43258	1.1
70.43575	0.6
71.06925	1.1
72.08154	8.1
84.04504	19.2
84.08133	1.5
85.02907	1.2
86.07800	0.5
86.09711	3.1
91.05505	0.9
102.05539	20.1
103.05443	1.2
110.07172	0.9
115.89094	0.5
116.07087	1.8
118.08646	7.6
120.08106	41.2
121.08518	0.6
129.10252	1.2
130.05087	0.6
136.07562	0.6
137.05977	0.6
148.06049	0.8
169.13368	2.6
174.06744	1.0
181.09720	5.0
186.09158	8.4
189.09073	1.2
204.10208	2.1
209.09171	4.1
215.13913	90.3
216.14296	1.5
219.10127	4.8
227.10187	3.0
231.11288	13.1
249.12349	12.6
259.10800	6.4
277.11884	4.9
280.16681	0.5
308.15753	0.5
326.17194	4.1
344.18250	2.7
360.15524	0.8
388.14899	2.8
406.16074	4.2
425.56210	0.6
442.13458	0.6
592.96472	0.6
620.33856	2.1
621.23029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93608	0.5
56.05009	0.8
60.04513	1.8
70.06594	50.7
71.06953	0.5
72.08155	1.0
84.08147	22.0
86.09694	1.8
87.58710	0.6
87.93253	0.5
91.05474	0.7
93.07021	0.8
95.04960	0.8
98.22643	1.6
101.10776	2.3
103.05482	2.6
110.07169	0.8
115.08696	8.2
116.07088	1.1
120.08107	100.0
121.08438	1.7
121.34821	0.6
129.10246	14.8
130.08644	9.9
139.08633	0.8
141.10266	0.8
143.08176	5.9
147.11293	12.9
157.09731	5.1
161.57886	0.6
162.09181	1.4
167.08163	1.9
185.09184	3.5
188.39005	0.7
191.11761	1.4
207.11339	2.4
209.12874	1.5
215.93997	0.6
217.09673	1.6
226.15479	5.1
235.10777	3.2
237.58763	0.6
244.16565	24.1
290.15103	1.8
313.18820	0.9
331.19714	4.5
332.16190	0.7
377.18207	1.3
460.25473	0.9
478.26749	0.8
491.14670	0.7
602.33221	3.3
620.34039	92.8
621.34332	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	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.8
56.96564	1.0
57.20732	0.3
58.06599	100.0
59.06937	0.8
59.77232	0.3
61.12809	0.3
62.53843	0.3
69.03428	0.6
69.70950	0.7
69.71336	0.4
70.06596	0.6
73.05305	1.0
84.08132	0.4
85.02906	0.7
87.04476	0.3
88.07637	2.3
98.22745	0.6
98.97597	1.3
110.97611	0.8
116.98642	0.6
118.08654	1.8
121.10236	0.4
128.98624	1.0
146.99672	0.3
179.00195	0.9
184.00459	0.4
197.01236	1.5
211.02879	0.5
219.01845	0.5
234.02031	0.3
235.02859	0.7
237.02873	0.8
263.06024	0.8
326.26920	0.4
336.06592	0.4
342.07986	0.6
353.06757	0.4
354.07886	0.7
366.07504	0.3
369.10248	0.5
372.09009	0.7
384.08887	0.7
387.11050	2.1
399.11456	0.8
402.09930	0.6
417.12201	2.1
488.32147	0.9
550.65118	0.4
561.16412	13.5
579.17523	0.8
602.19531	0.3
620.36395	55.3
621.36804	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	621.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26672	0.4
51.23521	0.4
52.09670	0.4
56.05041	1.7
56.96568	5.4
58.06600	100.0
59.06305	0.4
59.06938	4.1
70.06593	0.8
73.05293	1.0
84.96049	1.8
85.02908	0.5
86.09734	0.5
88.07642	2.0
94.54892	0.4
98.97588	6.9
110.97583	2.7
111.39983	0.5
114.97752	0.4
116.98624	4.0
118.08672	1.6
127.00685	0.5
128.98593	3.7
131.00166	0.7
131.04921	0.4
134.99684	0.9
137.06064	0.6
141.51768	0.5
143.00163	0.7
144.86365	0.4
144.98169	0.4
145.01816	0.4
146.99677	2.5
158.99678	1.0
160.99179	1.1
161.01195	1.0
165.99448	1.8
170.99643	0.8
176.08377	0.9
177.00783	1.4
179.00154	4.2
180.00960	0.5
184.00427	2.6
189.00797	0.5
192.01022	0.4
193.01741	1.2
197.01195	5.7
198.02036	1.9
199.00847	0.6
203.00133	0.4
204.01045	0.6
210.02055	0.6
211.02789	2.2
213.04364	0.8
215.02451	0.8
216.01051	0.6
216.03021	0.5
217.01788	1.0
217.03821	0.5
219.01759	3.0
221.01315	0.6
221.11496	0.4
222.01984	1.0
223.02765	0.5
234.02013	1.0
235.02785	3.9
236.03607	1.4
237.02722	4.9
240.03175	0.6
247.02853	0.5
248.03636	1.5
249.04373	0.8
250.05228	0.6
251.06114	0.5
252.03177	0.9
253.03941	1.6
254.04585	0.7
263.05920	2.9
264.02991	0.7
265.03854	0.5
266.04630	1.2
267.05499	0.9
268.06046	0.5
279.05487	0.6
281.06979	2.2
284.05707	0.8
311.05475	0.5
321.04221	0.5
323.07819	0.6
324.06857	0.8
325.07495	1.0
326.26913	0.8
335.05975	0.8
336.06741	2.2
339.09058	0.5
342.07770	2.0
353.06787	0.8
354.07602	2.6
357.10214	1.4
366.07877	2.1
369.09973	2.3
372.08865	3.8
384.08661	2.7
387.11111	10.2
398.06964	0.5
399.11078	3.9
402.09784	3.0
405.12299	1.0
410.12820	0.6
417.12180	8.2
420.11066	0.7
435.13492	1.0
441.12634	0.7
459.13376	0.6
488.32162	0.6
501.14017	0.8
561.16418	63.0
562.16858	1.9
579.17566	2.9
602.18799	1.1
620.36395	30.6
621.18958	1.5
621.36755	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.78106	0.3
66.13007	0.4
69.70045	1.3
82.35145	0.4
98.22724	0.5
100.86951	0.3
110.89456	0.3
144.88943	0.4
170.09691	0.4
320.72800	0.3
373.15518	0.4
375.15845	0.7
382.94855	0.5
387.16187	0.4
388.16650	0.5
389.17728	1.9
390.18280	0.7
391.18970	0.6
402.18536	0.9
403.19501	2.4
404.19891	1.4
405.20807	1.7
416.15970	0.6
416.20587	0.4
417.17072	2.6
417.22183	1.8
418.17462	0.5
419.22409	5.1
431.18240	4.7
432.18903	2.3
433.20294	1.8
443.18283	0.4
445.20209	4.3
446.21075	4.8
447.21704	8.0
448.22272	0.6
459.22635	2.5
460.23166	0.4
461.19604	0.8
473.19370	1.2
473.24271	0.7
474.20377	6.0
475.21252	7.1
486.75461	0.4
487.21579	2.8
488.21744	0.9
489.22568	0.5
490.23212	0.6
491.20654	0.8
501.22858	1.6
505.26172	1.1
518.23444	0.6
519.20471	1.0
529.22681	0.6
533.25513	15.2
534.25677	0.7
546.22656	0.5
561.24951	19.9
562.25104	1.8
589.24298	0.9
593.27582	3.8
621.27039	100.0
622.27356	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21499	0.4
69.20516	2.7
82.71528	0.5
99.37508	0.6
127.84738	0.5
210.46622	0.5
215.19249	0.5
221.10724	0.7
232.29491	0.6
283.31836	0.6
330.56244	0.6
332.34613	0.6
375.16263	0.9
387.16150	0.8
388.17032	0.7
389.17673	3.0
390.18478	1.0
391.19098	0.9
401.18042	0.6
402.18723	1.0
403.19556	2.9
404.19965	2.3
405.20831	1.1
417.16992	2.1
417.21054	2.1
419.22351	6.7
420.22632	0.6
429.21082	0.8
430.17734	1.3
431.17920	4.8
432.19461	2.2
433.20230	1.6
443.19186	0.6
445.20224	5.3
446.20972	4.4
447.22034	7.6
459.22321	1.7
461.19537	0.9
473.19077	0.9
474.20346	6.5
475.21317	10.5
476.22031	0.7
487.21188	3.7
488.21979	1.1
491.21210	0.5
501.22693	1.7
504.65671	0.6
529.22693	0.8
533.25549	9.2
534.25348	1.0
546.22491	0.9
561.24963	57.0
562.25476	4.0
589.24579	1.4
593.27679	3.0
621.27039	100.0
622.27356	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.13333	0.3
64.46665	0.3
66.03579	0.3
67.05511	0.9
69.07098	0.4
79.05505	0.5
81.03439	0.5
81.07068	0.4
88.73470	0.3
91.05476	0.4
93.07034	0.5
95.08629	0.4
96.42166	0.3
98.22694	0.7
104.10748	0.4
105.07069	0.4
108.94505	0.3
110.08585	0.3
121.10204	0.4
129.07056	0.3
133.10202	0.3
209.10760	0.4
251.91772	0.4
260.59912	0.3
387.16144	0.5
388.16904	1.0
389.17587	2.1
390.18265	1.2
401.17892	1.1
402.18481	1.1
403.15378	0.4
403.19455	3.6
404.20090	1.9
405.20676	2.1
415.19586	0.6
416.16287	1.2
416.20709	0.6
417.17111	2.8
417.21136	2.1
418.17679	1.0
418.22189	0.6
419.22406	6.7
420.22784	0.7
429.21436	0.5
430.17801	1.0
431.18137	6.5
431.23752	0.5
432.19019	2.8
433.20007	2.3
443.18698	0.7
445.20099	5.5
446.20892	5.8
446.25812	0.4
447.21835	8.8
448.22119	0.5
458.21432	0.5
459.17453	0.9
459.21936	1.7
460.23328	0.5
461.19745	1.2
462.20615	0.5
463.21634	0.4
466.52997	0.3
473.19879	1.4
474.20264	5.5
475.21313	8.3
476.21820	0.4
477.23526	0.4
478.23529	0.4
487.21173	3.0
488.22113	1.1
491.20807	1.3
501.22842	1.8
505.26144	1.0
517.22394	0.6
518.22913	0.5
519.20490	0.8
529.22278	0.5
533.25537	15.7
534.25702	0.5
546.22955	0.5
561.24988	22.5
562.25079	2.0
565.28204	0.5
589.24512	1.1
593.27728	3.0
621.27045	100.0
622.27356	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	622.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
56.05032	2.3
57.03431	3.7
61.19661	0.9
63.32474	0.9
65.09220	1.0
67.05504	20.1
69.07063	4.3
69.11240	2.2
69.11655	5.3
71.07360	9.4
79.05500	11.2
79.64396	1.1
81.07056	19.1
81.81246	1.0
83.08611	1.8
86.09705	44.0
91.05480	3.7
93.07032	11.4
95.08621	13.9
98.22703	2.3
104.10743	11.2
105.07032	2.6
107.08598	5.0
109.10163	6.1
119.08595	2.3
121.10136	3.5
121.18233	1.1
131.08586	2.5
133.10143	1.8
135.11708	2.4
145.10150	1.5
146.98177	64.3
149.13319	1.5
173.13503	1.0
188.00990	1.2
203.00784	12.3
206.05510	1.4
255.51320	1.0
262.08163	11.2
306.05521	1.0
335.25754	13.9
349.17151	1.4
357.23956	2.9
459.18781	5.5
481.23282	50.8
490.79214	1.1
506.25168	1.6
537.20825	1.4
540.30603	100.0
541.31256	2.2
622.29431	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	622.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
55.38018	0.8
57.03444	1.0
58.06585	1.1
60.08156	5.3
61.67725	1.0
64.87891	0.9
67.05517	4.6
69.07066	2.0
70.51889	1.3
70.52240	1.1
71.02085	1.0
71.07376	4.9
75.22978	0.9
79.05498	3.2
81.07057	3.7
86.09705	26.4
86.10219	1.5
91.05473	1.2
93.07034	2.2
95.08604	3.1
104.10740	100.0
105.07036	2.2
105.11056	1.6
107.08632	1.1
109.10156	1.7
121.10146	1.1
146.98177	20.6
166.91333	1.0
176.99318	1.4
203.00783	17.9
206.05568	3.0
262.08118	17.7
284.29315	1.2
288.04642	1.3
306.05655	1.4
335.25824	3.3
391.42279	1.1
459.18790	32.5
460.19037	1.3
481.23282	32.1
506.25073	1.9
519.19653	1.1
540.30603	55.1
541.30939	2.6
562.26733	1.6
622.29706	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	623.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55460	0.5
53.00154	0.5
55.02105	0.5
55.95179	0.5
56.05037	0.8
62.12485	0.5
69.07065	0.6
70.06591	8.7
72.08160	3.4
74.06075	1.1
76.92670	0.5
84.04510	1.9
84.08138	5.5
85.02911	0.7
86.09705	9.1
87.10052	0.6
91.67634	0.5
93.04529	0.6
103.05483	0.6
110.07175	1.6
118.46966	0.5
120.08105	5.7
121.08456	0.7
129.10237	3.1
136.07588	1.5
139.15947	0.5
141.90674	0.5
175.78981	0.5
187.14459	0.5
215.13902	0.8
222.22311	0.5
295.06143	0.8
296.06546	0.8
297.06805	0.6
307.06012	0.6
315.88760	0.6
343.65192	0.5
349.07175	0.8
404.11200	0.7
419.13904	1.1
461.15573	1.2
473.09988	0.7
516.26605	0.7
622.33350	0.6
623.20966	100.0
624.21399	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.2
55.05516	18.6
57.03452	6.5
57.53828	2.4
61.02934	23.2
61.89008	3.0
65.03938	2.9
67.05513	38.1
69.03425	9.3
69.07056	14.3
70.06624	3.3
71.79814	2.6
73.02915	8.6
79.05493	23.7
81.03398	6.1
81.07066	36.0
83.04969	4.9
83.08620	10.4
85.02913	22.5
91.03963	9.2
91.05482	46.2
93.07043	29.1
95.04956	6.1
95.08611	22.0
96.08132	6.1
97.02882	12.9
97.06520	9.5
97.10175	4.2
99.04442	3.5
105.04557	3.6
105.07027	33.9
107.04983	6.2
107.08611	15.2
109.10133	8.9
111.08049	3.4
115.05457	5.0
117.07001	30.1
119.08602	15.7
121.06471	4.9
121.10135	10.2
121.36623	3.4
123.08056	4.5
124.07574	4.2
125.09634	3.1
127.03900	5.1
128.06203	6.5
129.07018	30.5
131.08572	41.5
133.10130	12.9
135.08037	3.5
135.11662	4.4
136.06201	4.2
141.07001	14.9
142.07716	4.4
142.08696	5.6
143.08548	25.5
145.06482	8.2
145.10118	15.7
147.08044	3.6
147.11662	7.4
149.09692	4.5
153.06941	4.0
155.08531	19.1
157.10207	14.5
159.08089	4.7
159.11671	11.1
161.09557	4.6
165.07011	4.7
167.08577	8.7
169.10088	15.6
171.11693	7.9
173.13240	3.7
177.12878	3.9
179.08565	5.6
181.10141	11.4
183.11679	8.3
185.13264	8.1
194.37292	2.9
195.11699	14.3
197.13255	7.7
198.18784	3.2
199.14882	3.2
200.20068	4.1
205.10106	4.4
207.11681	3.4
209.13339	7.5
211.14793	3.8
213.12827	4.7
213.16302	3.5
215.14330	7.3
221.13254	7.5
223.14809	8.2
224.52480	2.9
235.14893	4.6
239.14394	4.9
241.15984	3.7
253.16023	4.0
257.15341	4.4
271.16830	6.8
320.08969	4.8
333.22226	13.5
341.24722	8.9
351.23215	47.6
369.24265	29.0
371.14658	3.0
387.25354	15.5
412.17252	5.5
415.28082	4.6
425.26648	7.7
443.27905	100.0
444.28500	5.8
461.28897	61.4
472.55930	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92785	2.5
52.56116	2.6
53.03938	5.3
55.01868	4.6
55.05508	19.7
57.02596	3.5
57.03436	14.1
57.07064	3.0
65.03926	5.0
67.05502	61.8
69.07076	15.2
69.44717	11.8
71.04988	4.1
79.05493	47.2
81.03414	3.1
81.07056	60.2
83.04973	6.6
83.08596	9.5
85.06545	7.0
88.61707	2.7
91.05477	48.6
93.07049	41.3
95.04967	62.5
95.08593	28.0
96.68760	3.5
97.06522	7.1
97.10175	3.6
105.04533	4.6
105.07030	35.8
107.04944	7.3
107.08607	17.4
109.06519	45.5
109.10149	8.9
113.06004	14.9
115.05437	3.9
117.07014	19.6
119.08565	30.5
121.06507	4.7
121.10136	11.7
123.08071	3.9
125.09577	3.8
126.56466	3.0
128.06200	5.9
129.07001	10.8
131.08578	29.9
133.10178	16.9
135.08072	14.9
135.11702	10.7
141.06978	5.4
142.07750	3.0
143.08582	14.4
144.09335	2.7
145.06534	3.9
145.10104	18.1
147.08067	5.5
147.11655	11.1
149.09573	4.4
149.13280	5.5
155.08563	8.5
157.08990	3.1
157.10162	10.1
159.11691	10.9
161.09627	7.0
161.13260	3.2
163.11191	4.3
169.10117	11.3
171.11693	11.1
173.13258	7.9
175.14850	4.9
177.12756	3.4
179.08597	3.2
181.10040	3.9
183.11778	4.7
185.09554	3.6
185.13232	6.0
187.11197	6.2
199.11035	3.6
199.14786	5.9
206.10936	3.4
209.13329	4.7
217.15977	6.9
221.13358	3.0
223.14859	3.6
225.16299	3.7
255.17410	4.0
259.20615	5.4
273.18451	23.9
275.20081	4.6
279.15869	10.1
291.19525	24.9
315.23322	5.0
327.26785	3.4
333.24307	6.4
347.22198	14.2
417.16885	3.8
519.23755	4.4
531.38214	5.4
563.26331	6.5
568.97089	3.3
605.41962	19.2
623.28314	30.6
623.42682	100.0
624.29059	4.5
624.42804	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	624.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.2
56.05025	1.5
57.03434	5.9
57.07066	1.6
62.22158	0.6
65.03944	0.8
67.05157	1.2
67.05501	16.9
69.07066	9.8
69.18452	0.7
71.07374	7.0
75.04389	0.6
79.05490	4.1
81.07056	18.2
83.08621	6.1
86.09704	40.7
86.87716	0.6
91.05469	3.4
93.07048	5.6
95.08604	15.1
97.06522	1.4
97.10169	3.7
104.10744	5.8
105.07034	2.3
107.08611	2.9
109.10158	5.7
119.08554	1.4
121.10153	2.4
123.11689	2.1
133.10150	2.0
135.11728	1.7
137.13245	1.7
139.11198	0.7
146.98175	63.7
147.11696	1.0
149.13237	1.1
161.13301	1.1
163.14899	0.7
164.99277	1.2
188.00851	1.1
203.00778	8.9
206.05592	1.4
209.89432	0.6
236.15761	0.7
245.81044	0.6
262.08160	8.2
306.05594	1.2
306.79514	0.7
337.27371	14.6
338.27942	1.0
359.25537	2.0
461.20508	5.8
483.24799	48.1
484.25165	3.1
521.21405	1.1
542.32147	100.0
543.32538	7.0
564.28912	1.4
624.31287	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	624.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
56.05037	1.2
57.03440	0.8
58.06588	0.7
60.08168	5.1
67.05511	4.1
69.07075	2.5
71.07374	4.1
71.36180	0.4
79.05504	1.1
81.07061	4.4
83.08610	1.5
86.09707	25.5
93.07043	1.4
95.08607	3.4
104.10742	100.0
105.07043	1.0
105.11078	1.4
107.08583	1.0
109.10148	1.4
119.08586	0.6
121.10149	0.6
122.21030	0.4
123.11731	0.5
124.93785	1.1
130.58469	0.4
135.11633	0.4
146.98184	16.5
176.99232	0.7
198.97461	1.1
203.00797	10.4
203.02570	0.7
206.05582	1.5
262.08163	8.2
263.08286	0.5
272.67303	0.5
291.67603	0.4
306.05804	0.8
337.27353	4.3
344.07431	0.6
359.25671	0.5
385.25461	0.5
439.22144	0.6
461.20380	33.0
462.20798	1.8
483.24832	30.5
484.25272	1.3
505.23352	0.6
508.26514	0.6
539.22345	1.1
542.32178	55.4
543.32581	4.0
564.29327	1.3
624.30975	5.9
625.31293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
51.57553	0.7
55.05509	0.7
57.03430	2.6
61.02893	0.6
69.03415	2.8
69.03751	0.7
70.06572	0.8
70.62124	1.3
71.04991	10.3
83.04969	1.0
83.08596	0.8
85.02900	15.2
93.03397	1.0
97.02895	1.7
97.52547	0.6
100.07637	0.8
100.11258	2.5
101.09686	0.6
111.04467	1.2
127.03942	1.6
128.07089	1.3
129.05515	3.4
139.03970	0.7
145.04984	1.2
147.06548	1.0
150.43439	0.7
153.01814	5.6
182.15413	3.7
209.16405	1.0
210.14828	5.2
212.27029	0.7
229.04985	1.4
246.05258	0.9
257.04446	1.3
273.03925	1.8
274.04727	2.8
285.03900	3.7
296.56470	0.7
302.04205	9.0
312.28787	0.8
317.06540	100.0
318.06827	3.1
330.30121	1.5
411.46555	0.7
529.25482	0.7
594.74054	0.7
608.40265	1.5
624.39673	3.0
625.41028	4.9
637.60962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01878	7.5
55.05511	27.2
57.03444	7.8
57.07073	2.6
59.05009	1.5
65.03943	2.6
67.05502	55.4
67.05869	2.7
69.03432	1.5
69.07065	21.6
71.04990	4.0
76.79272	1.2
77.03912	1.4
79.05489	34.6
81.03453	1.8
81.07054	53.0
83.04987	5.8
83.08612	17.6
85.06565	2.9
91.05479	30.2
93.06459	1.8
93.07043	38.0
95.04961	7.9
95.08604	36.7
97.06524	9.4
97.10170	8.8
99.08118	1.6
103.05478	1.9
105.04528	1.7
105.07024	32.4
105.07731	1.8
107.04985	3.4
107.08593	22.1
107.09255	1.8
109.06544	4.5
109.10151	22.0
111.08094	4.4
113.79608	1.1
115.05499	3.2
117.07029	18.8
119.08581	29.0
119.09418	1.9
121.06540	2.3
121.10143	15.2
123.08067	2.7
123.11725	8.1
125.09618	6.6
128.06256	5.0
129.06998	14.5
130.07794	1.9
131.08559	28.8
133.06458	1.6
133.10121	23.7
133.11015	1.7
135.08185	2.9
135.11664	10.9
137.09628	3.4
139.11261	1.7
141.06964	7.1
142.07806	3.6
143.08569	17.0
145.06514	1.4
145.10121	21.3
147.08130	2.5
147.11671	14.1
149.09671	3.1
149.13260	4.6
149.64175	1.1
151.11218	2.3
153.07037	1.4
154.07735	1.7
155.08530	12.8
156.09317	2.2
157.10115	19.7
159.08067	1.5
159.11691	15.9
161.09737	1.6
161.13216	6.2
163.11235	2.4
163.14888	2.3
165.07060	1.6
167.08611	5.2
168.09331	2.0
169.10130	15.1
170.10654	1.6
171.11676	14.8
173.09677	1.7
173.11826	2.4
173.13196	10.3
175.11206	1.9
175.14877	4.0
177.12796	1.2
179.08623	2.5
179.14349	1.4
181.10074	8.3
182.10884	1.7
183.11685	15.1
185.13239	13.2
187.13336	1.9
187.14725	5.4
189.11235	1.6
189.12767	1.5
193.10175	2.5
195.11708	7.2
197.13226	12.5
198.13786	1.2
199.14832	8.3
201.12839	1.7
201.16486	3.3
207.11795	3.7
209.13210	7.7
211.11243	1.6
211.14911	7.1
213.16380	6.1
215.18005	1.8
221.13362	3.0
223.14883	6.2
225.16525	5.5
227.12856	3.2
227.18044	3.3
229.19530	1.7
233.15343	1.4
235.14810	2.2
237.16393	3.6
239.17989	4.5
241.19633	3.6
249.16371	1.8
251.17984	2.7
253.19685	1.7
255.17491	1.5
257.19022	2.9
259.20584	6.1
263.17957	1.5
273.18576	3.5
275.20248	6.6
282.37671	1.2
283.20703	1.9
289.21704	1.6
291.19574	2.5
297.22253	2.1
299.20261	1.5
299.23853	1.2
301.21954	1.3
309.22388	1.5
311.23776	1.7
321.22278	1.4
333.24377	3.9
339.26816	1.5
343.26563	1.6
347.22812	1.4
349.24063	4.0
363.26971	2.1
365.24435	1.7
365.28601	3.5
379.29996	2.1
381.31787	2.6
403.30280	1.9
407.29596	1.3
421.31152	2.5
439.32062	1.8
445.31033	1.6
463.32214	1.6
473.33517	1.6
497.36804	1.9
511.37711	1.3
513.35626	12.7
514.36108	1.7
515.38586	6.6
527.37335	3.7
533.39996	9.0
537.36249	1.7
551.41235	4.6
555.37018	1.6
567.40576	2.2
589.42639	2.8
597.45239	1.4
607.43555	42.8
608.44275	3.2
625.44653	100.0
626.45032	8.6
648.53406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
53.59297	1.3
55.01877	5.9
55.05515	27.4
57.03444	5.8
57.07067	1.3
61.19162	1.1
65.03938	1.6
65.61451	1.1
67.05506	45.9
67.05866	2.6
69.03416	1.6
69.07069	21.5
69.40672	2.7
69.41080	4.0
71.04987	3.2
79.05494	33.1
81.03414	1.4
81.07056	42.6
83.04975	3.4
83.08615	17.9
85.06554	2.8
91.05481	32.9
93.07042	33.4
93.07599	1.9
95.05002	7.6
95.08606	33.7
97.06522	6.2
97.10196	3.9
99.08118	1.2
103.05352	1.2
105.04525	2.3
105.07033	32.3
107.04961	2.9
107.08589	18.9
109.06532	3.7
109.10175	13.1
111.08102	3.8
113.09644	1.4
115.05449	2.8
117.07026	17.3
119.08577	23.6
121.06552	3.3
121.10150	16.7
123.08103	3.4
123.11732	4.8
125.09661	2.0
128.06239	2.7
129.07010	14.2
130.07831	1.4
131.08569	25.0
131.09468	2.1
133.06537	1.6
133.10130	16.6
135.08096	2.4
135.11694	7.5
137.09605	2.9
139.11189	1.6
141.07007	4.1
142.07813	3.3
143.08566	14.1
145.06499	1.3
145.10141	21.3
147.08020	2.8
147.11700	13.5
149.09615	1.8
149.13298	4.2
151.11200	2.7
153.07091	1.3
155.08553	10.9
157.10106	14.2
159.11693	15.2
161.09560	1.6
161.13206	6.6
163.11125	1.6
165.07054	1.4
165.12819	1.9
167.08607	4.9
169.10124	12.0
171.08124	1.5
171.11667	11.0
173.09587	1.5
173.13278	8.0
175.11205	1.9
175.14830	2.4
177.12854	1.8
179.08611	2.2
181.10045	5.4
182.10913	1.6
183.11665	10.5
185.09651	2.0
185.13219	8.0
187.11136	1.4
187.14873	4.5
189.16553	1.1
193.10129	1.9
195.11728	5.2
197.13268	7.0
199.11256	2.2
199.14899	5.2
205.10193	1.3
207.11797	3.2
209.13246	5.8
211.14911	4.4
213.16443	3.3
215.18034	1.3
221.13312	2.7
223.14917	2.8
225.16423	3.1
227.18085	1.7
235.14830	1.8
237.16460	2.6
239.17963	2.5
241.19630	3.5
245.19031	1.5
249.16472	1.4
252.08878	1.2
257.19104	3.6
259.20651	4.9
263.20206	1.9
271.20490	2.2
273.18500	3.2
275.20059	7.7
277.21881	1.9
283.09769	1.1
283.20435	2.3
289.21768	2.5
297.22055	1.9
311.23709	1.3
313.21405	1.5
315.23242	1.5
317.24722	1.4
333.24377	3.8
341.24860	1.3
349.24026	3.7
353.24753	1.6
363.26920	1.5
421.30939	2.8
423.32635	3.3
454.62042	1.2
497.36624	4.8
499.33521	1.5
513.35785	7.0
515.38599	6.1
527.37341	5.0
533.39740	7.1
551.41205	8.5
553.39075	1.6
589.42694	2.0
591.30322	1.3
597.45184	3.0
607.43530	42.5
608.43622	2.6
625.44653	100.0
626.44769	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.3
53.03939	2.3
55.01868	7.1
55.05515	23.0
56.62829	1.3
57.03438	5.4
57.07066	2.6
63.69673	1.3
65.03939	2.5
67.05506	40.0
67.05866	2.3
69.03430	1.6
69.07069	19.4
71.04995	3.4
79.05499	29.0
79.05944	2.3
81.07056	41.9
83.04993	2.6
83.08626	13.7
85.06569	1.9
86.09714	9.1
91.05479	25.1
93.07050	24.0
95.04972	4.6
95.08610	22.7
97.06535	7.8
97.10169	8.3
103.05510	2.8
105.04526	2.5
105.07028	25.6
107.04938	1.9
107.08592	18.7
109.06530	3.2
109.10154	15.3
111.08097	2.3
112.77544	1.3
115.05518	1.9
117.07012	16.2
119.08588	21.1
121.10152	9.2
123.08091	2.2
123.11689	8.5
125.09599	7.3
128.06232	4.3
129.07008	15.5
130.07773	1.6
131.08577	21.5
133.10129	16.5
135.08098	2.5
135.11705	7.9
137.09663	1.7
140.14384	3.2
141.07004	6.6
142.07831	3.8
143.08571	16.7
145.06528	2.7
145.10120	18.0
147.08118	1.6
147.11674	11.6
149.09677	4.0
149.13289	3.3
152.19960	1.4
153.06992	2.3
155.08551	10.8
156.09412	2.7
157.10158	15.5
158.10622	1.4
159.11697	14.7
161.13246	8.7
163.11224	2.9
165.07082	2.1
167.08614	5.2
168.09381	2.3
169.10167	14.2
171.11681	13.7
173.13260	10.0
175.11365	1.7
175.14845	3.6
179.08589	1.9
180.09450	2.2
181.10133	7.2
182.10983	1.8
183.11696	14.9
184.12523	2.5
185.13295	10.1
187.13286	2.3
187.14885	4.9
189.11279	3.3
193.10138	2.8
194.10867	1.5
195.11800	5.6
197.13254	11.7
198.97475	2.8
199.14827	7.9
201.16473	2.8
207.11729	3.4
209.13315	6.6
211.14899	5.8
213.16484	4.4
219.11624	1.7
221.13303	3.1
223.14905	6.1
225.16393	5.1
227.12860	4.8
227.17958	2.5
235.14845	1.7
237.16545	2.8
239.18079	2.8
241.19576	3.9
243.15895	2.2
253.19687	3.6
257.19089	3.4
259.20657	4.1
263.17917	1.9
273.18619	2.0
275.20126	6.0
285.21927	3.1
297.22308	2.0
313.21652	1.9
323.23715	1.6
333.24405	3.0
349.23901	4.2
363.27133	1.5
365.28476	4.0
381.31711	3.3
421.30945	3.2
435.18976	2.1
439.32156	3.2
481.34076	1.4
495.34454	2.7
501.35562	2.2
513.35840	14.5
515.38788	4.6
527.24060	2.8
527.36981	1.4
533.40082	8.3
536.06549	1.4
537.35657	2.0
543.36768	1.6
551.41132	5.9
589.42554	3.2
597.42297	3.1
607.43573	38.3
608.44177	3.4
625.44629	100.0
626.44983	9.4
639.64282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01881	8.7
55.05512	35.4
57.03432	8.3
57.07071	3.2
59.04993	2.5
65.03942	3.1
67.05505	57.2
67.05866	3.1
69.03432	2.7
69.07070	28.8
69.61062	4.5
71.04995	3.9
71.08620	1.4
79.05492	45.3
79.05948	2.6
81.07059	60.1
83.04980	5.0
83.08624	20.4
85.06549	2.7
91.05478	46.1
93.06446	1.8
93.07044	45.1
95.04982	10.6
95.08607	45.4
97.06535	9.3
97.10164	10.7
99.08113	4.1
99.10796	1.2
100.11265	2.8
105.04544	3.5
105.07029	43.3
107.04980	4.4
107.08595	26.7
109.06560	5.9
109.10155	17.8
111.08082	7.1
115.05461	4.2
116.06293	1.6
117.07018	24.6
119.08577	33.7
120.08925	1.3
121.06503	2.8
121.10149	20.9
123.08080	3.5
123.11726	7.0
125.09650	4.7
128.06223	7.0
129.07001	22.2
130.07840	2.1
131.08568	30.4
133.06479	2.3
133.10127	23.3
135.08064	3.7
135.11667	9.7
137.09602	2.8
137.13293	1.4
139.11205	1.7
141.06950	9.9
142.07800	5.8
143.08557	25.4
144.09373	2.5
145.06491	2.6
145.10117	32.3
147.08028	1.9
147.11690	14.7
149.09668	5.1
149.13295	4.4
153.07048	3.1
154.07808	2.3
155.08568	17.6
157.10103	23.6
159.08130	1.8
159.11702	21.5
159.12907	1.3
161.09656	2.2
161.13275	7.3
163.11243	3.7
163.14783	1.8
165.07120	1.8
167.08575	10.1
169.10141	22.2
171.08095	2.3
171.11687	22.0
173.13237	12.0
175.11235	2.7
175.14819	3.1
177.12845	2.0
178.07855	2.0
179.08597	3.9
179.14342	1.9
181.10136	11.8
182.10931	2.2
183.11690	23.7
185.11681	2.1
185.13243	15.4
187.11218	1.7
187.13387	2.0
187.14780	6.5
189.11179	1.9
193.10182	5.2
194.10970	1.9
195.11700	12.9
196.12494	1.8
197.13269	13.2
199.11189	1.4
199.13316	1.5
199.14799	8.2
201.12907	1.6
201.16435	4.2
205.10165	1.8
207.11734	6.1
209.13232	8.9
210.13943	2.0
211.14815	8.1
213.16426	4.6
217.16014	2.8
219.11720	2.2
221.13307	4.8
223.14874	8.1
225.16313	6.2
227.12756	2.4
227.18094	2.9
231.17601	2.4
233.13269	1.9
233.19131	1.8
235.14801	3.1
237.16515	4.7
239.18010	3.8
241.19543	3.3
249.16463	2.8
251.18057	2.5
253.19627	2.4
257.18933	3.1
259.20511	6.4
263.17892	2.3
267.15567	1.5
273.18582	3.4
275.20145	8.4
275.95813	1.3
277.19211	1.7
277.21930	3.0
279.21133	1.9
297.22046	1.9
299.23859	1.7
301.21924	1.5
309.21976	1.7
311.23575	1.6
313.21881	2.6
315.23407	2.0
323.23846	1.7
327.23486	2.0
333.24377	4.5
339.23114	2.6
341.24548	1.8
347.22620	1.9
349.24039	5.0
353.24594	1.8
353.28549	1.6
363.27014	1.6
365.28842	2.4
367.26022	1.9
381.27960	2.3
389.27902	1.6
403.30026	1.3
407.29282	2.6
421.30844	2.2
435.32379	2.2
439.31659	1.8
447.32211	1.9
465.33334	1.7
495.35086	1.6
497.37634	1.8
499.33829	2.9
513.35632	14.3
515.39032	7.5
527.37500	3.8
533.39825	9.7
539.37402	3.7
541.38885	1.5
551.41211	6.3
553.39099	4.8
567.40369	2.9
589.42554	3.1
597.44910	2.5
607.43530	46.6
608.43549	3.1
625.44623	100.0
626.45081	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21059	1.2
51.84114	1.2
53.03940	3.2
55.01879	8.8
55.05513	33.6
57.03435	8.2
57.07066	2.5
62.92710	1.1
65.03944	3.5
65.97421	1.3
67.05506	59.4
69.03429	2.5
69.07070	31.5
71.04997	3.9
71.21476	1.7
75.07419	1.1
77.03918	1.8
79.05494	47.5
81.03447	2.1
81.07055	55.6
81.29769	1.2
83.04996	5.0
83.08621	13.3
85.06559	4.3
91.05479	50.0
93.07046	43.8
95.04959	9.2
95.08605	37.8
95.09210	2.0
97.06548	9.0
97.10194	5.8
99.08082	3.2
103.05479	1.7
105.04543	4.4
105.07033	44.2
107.04974	5.0
107.08588	30.3
107.09247	1.8
108.62675	1.3
109.06549	5.2
109.10165	20.5
111.08093	5.5
115.05458	3.1
116.79079	1.3
117.07005	23.6
119.08580	37.0
121.06497	3.1
121.10155	18.8
123.08105	3.7
123.11731	4.7
125.09644	4.5
128.06248	4.1
129.07005	14.4
130.07851	2.0
131.08565	28.6
133.06488	1.6
133.10129	27.5
135.08067	5.1
135.11674	9.2
136.47404	1.3
137.09673	3.5
139.11203	1.9
141.06984	6.6
142.07800	3.0
143.08548	20.2
144.09320	2.0
145.06514	2.0
145.10126	26.7
147.08055	2.9
147.11690	18.5
149.09666	3.6
149.13307	6.0
151.11212	2.9
153.07021	1.7
155.08566	8.2
156.09355	2.0
157.10114	17.6
159.11700	18.8
161.09666	3.7
161.13269	7.8
163.11160	3.0
163.14877	2.1
165.07031	1.2
165.12801	1.8
167.08559	6.3
168.09338	1.6
169.10136	14.1
171.11711	13.8
173.09669	2.1
173.13240	12.4
175.11264	3.1
175.14891	4.3
177.12726	1.9
179.08614	2.5
181.10150	9.0
183.11696	11.1
185.13258	11.0
187.14838	6.5
189.16425	1.6
193.10222	3.5
195.11745	8.3
197.13205	8.3
199.11345	1.9
199.14932	5.1
201.16423	3.4
205.15923	1.8
207.11690	2.2
209.13258	7.1
211.14885	4.8
213.12871	1.5
213.16495	1.6
215.17911	2.5
221.13335	2.2
223.14928	3.4
225.16518	3.4
227.18089	2.4
233.13322	2.1
235.14915	2.3
237.16496	4.1
239.17981	3.2
241.19743	2.4
243.21257	1.7
245.19049	1.7
251.17975	2.3
253.19650	1.9
257.19150	2.9
259.20605	7.0
261.22177	2.4
263.20340	3.2
267.16043	1.8
271.20654	3.7
273.18604	4.4
275.20071	10.3
277.21964	1.7
283.20795	2.6
287.20065	2.5
289.21747	3.7
291.19745	2.2
297.22375	1.9
315.23325	2.4
327.23184	1.9
333.24347	2.7
335.25842	3.3
339.26923	2.3
349.23993	3.8
423.32550	1.5
426.81525	1.4
447.33081	1.8
497.36850	2.3
511.38712	1.7
513.35638	6.9
515.38434	6.2
527.37396	11.5
533.39734	7.2
537.35870	1.6
551.40833	8.3
553.38904	1.5
567.40485	2.0
589.42871	2.2
597.45764	3.2
607.43579	46.7
608.43805	5.0
625.44659	100.0
626.44977	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01873	33.4
55.05506	33.1
55.41656	4.0
57.03443	10.3
57.07072	6.9
65.03954	6.2
67.05505	86.2
69.07065	82.9
77.39893	4.0
78.48286	3.7
79.05490	59.8
80.84716	3.9
81.03420	11.1
81.07056	92.2
83.04986	9.0
83.08630	21.0
85.06574	5.7
91.05473	79.6
93.07047	71.6
95.01354	6.5
95.04947	21.1
95.08607	54.9
97.06525	43.9
97.10165	7.5
105.04481	6.5
105.07034	79.8
107.04963	21.2
107.08582	41.6
109.06516	7.8
109.10150	26.5
117.07016	26.5
119.08582	66.1
121.06515	8.3
121.10157	30.6
123.08067	9.1
123.11686	4.6
125.09634	9.0
128.06177	5.8
129.06993	20.6
131.08566	44.4
133.10144	48.4
135.08080	10.7
135.11720	16.6
141.06937	6.2
142.07855	5.5
143.08539	20.6
145.10132	50.6
147.08025	5.1
147.11674	37.7
149.09642	11.9
149.13257	8.5
155.08577	16.8
157.10188	23.3
159.11668	32.6
161.09648	6.8
161.13255	27.6
167.08571	9.8
169.10150	17.8
171.11707	26.6
173.13284	17.4
175.11295	4.9
175.14816	11.0
179.14288	8.8
181.10136	12.3
183.11699	16.5
185.13278	12.1
187.11159	6.5
187.14743	5.0
191.15837	5.2
195.11685	10.3
197.13310	14.7
199.14806	7.8
209.13301	9.3
211.14821	9.1
215.17952	6.1
225.16341	4.4
227.17940	5.3
235.14760	4.9
237.16556	8.0
237.53426	4.2
239.17896	5.0
241.19502	18.1
245.19273	5.1
257.19131	7.1
259.20499	29.8
267.83295	4.6
273.18558	10.3
275.20093	46.5
291.19604	17.7
315.23224	12.5
327.23022	4.6
333.24182	26.3
349.23703	32.5
435.32553	6.6
437.34131	16.2
493.36932	4.7
511.37775	14.0
513.35522	5.6
529.39105	9.0
533.39673	7.6
545.32513	5.2
551.40564	5.1
556.37567	4.6
607.43555	61.3
615.68494	4.6
625.44519	100.0
626.45239	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	626.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
56.05037	5.6
57.07101	0.7
58.06601	100.0
59.06944	0.6
67.05499	2.0
69.07079	1.2
73.43883	0.5
79.05476	1.3
81.07057	2.6
83.06099	5.5
83.08623	4.6
84.04505	85.5
85.04871	0.8
86.09708	10.9
91.05468	1.8
93.07040	1.8
95.08621	1.2
96.04481	0.5
100.11252	1.9
101.07141	87.8
102.07465	0.9
103.08697	0.8
105.07050	1.2
107.08626	1.2
108.08094	0.9
109.10151	0.7
113.07141	0.7
118.11480	1.1
118.12292	19.0
119.08563	0.5
121.10141	0.8
128.10689	3.3
129.06602	3.4
131.08533	0.6
133.10127	0.8
141.06590	1.5
141.67542	0.5
147.11688	0.7
152.10725	1.5
164.13626	0.5
169.13348	1.4
169.76103	0.5
180.06538	1.7
196.14438	8.5
197.09206	1.3
197.12886	7.4
213.19588	3.6
214.11775	1.8
214.15503	3.8
224.13908	2.0
231.20660	6.9
240.23225	7.1
242.14978	3.2
268.22708	24.2
323.24133	1.6
324.22769	4.8
334.26886	0.5
341.25476	5.0
342.23889	2.0
359.26587	3.2
376.25558	0.6
396.28574	58.7
397.28979	3.0
451.16599	0.7
481.37402	0.6
509.37021	3.7
529.24908	0.9
566.23962	1.6
578.60248	0.6
608.47491	10.2
609.46423	0.7
626.45825	2.1
627.45483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.18230	0.7
61.94046	0.9
65.53351	0.8
67.05497	2.0
68.30096	0.8
79.05477	1.0
81.07066	1.6
81.12160	0.9
91.05481	0.9
93.07075	0.9
95.23006	0.8
98.93986	0.8
105.07030	1.2
131.07301	0.9
131.70760	1.0
136.07634	1.0
137.44099	0.8
138.09204	1.3
146.09705	0.9
150.09097	1.2
174.07877	0.9
174.09135	4.2
187.08644	1.1
187.12347	3.8
188.10754	2.3
194.93549	1.6
198.09128	1.2
211.08746	1.0
211.50073	0.9
215.11847	3.6
223.08630	1.6
224.09464	1.4
225.10260	2.8
227.11899	2.1
235.08681	2.5
237.10231	1.2
239.07961	1.2
239.11852	2.8
241.13440	2.5
243.11314	20.3
243.13766	1.3
249.10274	2.0
251.11919	1.8
252.12402	1.1
253.09535	1.7
265.09744	1.7
267.11258	8.7
268.11728	1.0
269.12936	2.6
275.67096	1.0
277.09732	2.5
283.10226	0.8
283.14410	0.9
285.12335	2.3
293.12622	0.9
295.10883	3.1
299.14084	1.5
300.11511	0.9
301.12476	1.3
301.15659	3.2
309.12274	1.2
314.13004	1.9
316.10950	1.4
319.10648	1.2
320.14069	1.3
325.15494	6.6
327.13470	6.1
328.10876	2.1
328.14398	1.4
330.12634	2.1
330.16208	1.2
341.11658	1.4
342.12268	2.4
342.16058	1.4
343.13156	4.1
343.43036	1.0
344.13980	2.3
346.15463	1.3
348.13455	2.3
356.14063	3.6
357.14764	1.6
358.15564	3.1
360.17053	1.8
368.13855	1.4
370.15518	2.3
371.16388	1.6
372.17096	3.1
384.17252	1.0
386.18832	2.4
387.73145	0.9
400.16672	2.7
403.15643	1.2
412.16928	1.2
416.16089	1.1
418.17368	1.5
422.18088	1.1
430.17728	1.5
431.18491	1.4
432.19073	2.5
436.15393	1.6
437.20486	1.7
444.19440	1.3
447.22083	2.4
449.15341	1.3
449.20734	1.5
450.21606	1.4
451.17255	2.3
461.24042	1.7
462.24829	1.6
463.21259	2.7
464.18323	1.2
465.19156	9.0
477.19162	1.1
479.20807	4.5
480.21619	2.5
481.22260	2.0
489.22467	1.1
490.22015	1.1
491.20535	1.3
492.21628	2.7
493.22360	3.1
495.16977	2.7
503.20450	1.1
504.21027	2.6
507.24213	3.3
517.22687	2.1
534.22937	1.3
535.23364	6.3
539.19122	1.5
549.24951	9.8
553.24548	1.9
567.18530	13.8
567.26093	48.0
568.18695	2.0
568.26788	1.9
577.24438	1.3
585.19775	1.2
595.25458	37.8
596.26019	1.2
608.21484	1.8
627.28137	100.0
628.29565	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	627.3715
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
55.05513	1.9
56.05033	0.5
57.05831	0.3
67.05493	0.4
69.03408	0.6
69.07068	0.4
70.06590	100.0
71.06915	0.9
72.08154	31.5
73.08495	0.3
81.07094	0.4
84.04498	5.5
84.08125	0.6
85.02917	0.8
86.02440	0.4
86.09702	15.1
87.04472	0.3
91.05465	0.5
93.07037	0.5
94.89496	0.4
102.05547	4.2
108.69432	0.3
113.07100	0.5
116.07107	0.8
119.04874	0.4
119.08562	0.4
120.08113	1.1
127.08675	19.5
129.06625	1.2
129.10237	8.7
132.10196	1.9
141.06593	0.9
147.04446	0.9
152.10703	0.9
155.08148	66.2
156.08479	1.1
156.10077	0.4
157.09723	3.4
170.11765	1.5
172.10802	1.3
173.09160	0.7
175.03824	0.8
197.12842	2.3
207.06494	1.6
215.07286	0.3
215.13902	6.0
216.14102	0.3
225.12263	0.4
226.15486	11.7
229.15446	0.3
231.16994	3.8
243.13478	2.0
254.14986	21.0
272.16055	1.9
288.19214	0.7
322.17679	1.3
337.18573	1.0
339.23938	0.9
365.18127	0.9
367.23511	1.0
368.24094	0.4
379.19614	2.3
383.19275	0.9
385.24435	68.0
386.24664	3.0
397.20792	2.0
440.42047	0.3
450.26993	2.7
468.27972	2.6
478.26801	2.8
496.21027	0.5
496.27679	6.6
497.27478	0.4
540.03809	0.4
609.35620	0.8
627.22833	1.0
627.31476	1.0
627.37512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84230	0.5
56.96285	0.9
56.96567	18.5
67.48946	0.5
71.95262	1.6
72.96043	0.8
79.05451	0.6
81.07058	1.3
84.96021	0.9
93.07056	0.6
95.04909	0.6
95.08624	0.7
97.96790	3.4
98.97574	1.1
110.97567	6.0
111.98434	0.5
112.99144	0.5
115.97856	2.5
119.08698	0.4
123.01170	1.0
128.98607	9.7
133.98886	1.2
137.02737	1.0
143.00146	1.0
145.10153	0.5
146.99651	5.2
152.00166	0.8
155.03741	0.7
161.01205	1.5
165.00737	0.6
171.03333	1.7
175.02831	0.8
179.02271	0.6
185.04903	1.0
189.04370	1.5
190.05092	1.6
191.05862	0.8
195.06944	0.6
198.55551	0.5
203.05934	1.3
204.06644	1.1
208.06152	1.0
221.08319	0.7
222.07722	0.7
223.10162	0.8
241.11131	2.0
245.10670	0.6
249.07919	0.6
252.10378	1.8
259.12198	1.1
263.09528	3.5
264.10168	0.9
270.11426	0.7
277.11328	0.7
281.10666	0.8
289.11041	0.8
303.12753	2.5
313.14780	1.5
315.16284	47.4
316.16418	1.2
331.15814	2.9
333.17355	100.0
334.17667	4.3
349.16843	0.9
351.18420	50.3
352.18939	1.2
354.17520	0.7
356.18970	13.5
369.19550	1.0
374.19949	6.9
391.62433	0.6
591.37067	2.0
609.37964	1.0
627.27441	1.5
627.37939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.5
53.03934	4.2
55.01871	19.2
55.03537	2.2
55.05514	43.6
57.03428	12.0
57.07078	5.4
64.84145	2.6
65.03943	5.9
67.05504	100.0
68.27637	2.2
69.03415	5.3
69.07066	34.1
70.84649	2.7
71.04983	5.9
71.08627	3.6
79.05494	77.5
81.03401	3.2
81.07057	83.6
83.04967	9.2
83.08624	17.7
85.06525	3.1
89.06035	4.1
91.05478	65.6
93.07040	66.4
95.04971	19.4
95.08020	4.8
95.08605	62.4
97.06536	17.3
97.10165	11.7
99.08068	2.4
101.69077	2.1
105.04507	5.4
105.07031	53.3
107.04951	11.6
107.08590	52.5
108.27085	2.1
109.06516	7.4
109.10151	31.4
111.08057	3.9
113.06091	2.4
117.07008	22.7
119.03042	2.1
119.08586	42.9
121.06521	4.5
121.10131	26.9
123.08057	7.0
123.11726	9.2
125.09610	8.2
129.07019	10.3
131.08572	41.1
133.08635	3.3
133.10123	32.7
135.08061	3.0
135.11707	13.1
137.09592	4.3
141.06969	3.7
143.08553	13.5
145.09129	2.9
145.10141	31.3
147.11694	22.0
149.09598	15.9
149.13223	8.0
151.11200	3.2
155.05746	2.5
155.08546	5.5
156.21657	2.4
157.10092	10.6
159.11676	19.6
161.13252	9.1
163.11183	8.7
169.10146	7.5
171.11662	12.6
173.13220	13.8
175.14793	5.4
181.10085	4.1
183.11682	8.9
184.64430	2.4
185.13278	7.0
187.14830	6.8
197.13310	4.6
198.91486	2.4
199.14885	4.8
200.62885	2.4
201.16342	4.1
209.13243	3.3
211.14862	4.8
213.16389	2.6
215.17880	4.2
227.12772	7.5
235.17249	3.0
239.18027	3.0
241.19521	2.9
247.20465	5.1
257.19012	7.7
259.20407	3.6
261.22159	9.4
275.20065	45.3
293.21045	2.8
335.22159	3.6
335.25797	35.0
344.69586	2.1
349.23706	25.2
362.08954	2.7
515.37115	4.8
517.40863	4.6
535.41785	5.2
543.69391	2.6
553.42389	4.4
555.40393	2.5
609.45129	44.6
627.46234	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2247
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.50365	0.6
66.64157	0.6
67.05486	1.3
70.08072	1.9
81.07051	1.7
91.05506	1.2
93.07044	0.8
95.08604	0.6
105.07011	0.9
107.08594	0.8
119.08547	0.8
131.08615	0.7
145.10124	0.9
153.12711	1.0
163.11200	0.9
175.02826	0.6
275.20142	0.7
283.15424	1.1
367.24530	0.8
396.12073	1.1
397.12988	1.7
398.13724	1.5
399.14563	1.2
400.15356	1.2
410.13776	2.5
411.14447	5.5
411.18814	0.6
412.15457	3.8
413.16055	3.1
424.15198	2.0
425.16443	9.2
426.16861	9.0
427.17657	3.0
428.18497	3.8
438.13367	2.3
439.13580	16.6
440.13403	1.0
440.19037	6.2
441.19305	39.8
442.19516	2.6
451.17706	1.1
452.14883	2.3
453.15390	18.0
454.16028	6.4
456.18198	1.0
465.15256	1.0
467.17184	22.3
468.17841	20.7
469.18814	12.3
470.19208	1.0
471.16962	1.0
472.17285	0.8
480.17044	1.0
481.14648	9.6
482.15207	1.8
484.21091	1.8
485.18204	2.3
495.10162	0.9
495.17081	3.2
496.17218	13.8
497.17776	2.0
498.18954	2.0
499.19333	1.1
500.20776	3.8
509.18030	1.3
512.20813	4.1
513.21948	5.1
514.22388	1.0
523.19592	2.2
526.18976	0.7
527.18835	1.1
528.20154	1.7
539.19440	0.8
541.20862	33.0
542.21576	3.5
553.21344	1.2
554.17682	0.9
569.20288	100.0
570.20483	9.7
572.18524	1.2
573.23535	2.5
593.36646	0.7
597.19800	26.6
598.20099	3.1
600.22198	1.0
601.23132	8.7
629.22351	68.4
630.22546	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	630.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01873	1.6
55.05513	2.7
56.26680	0.6
57.03443	0.7
61.02934	0.8
62.83632	0.6
67.05519	4.4
69.03418	2.7
69.07077	4.9
69.20851	1.4
69.21214	3.9
70.06586	1.9
71.04991	2.8
72.08133	1.0
72.46586	0.6
79.05499	7.2
81.03423	1.1
81.07056	15.9
83.04983	6.4
83.08619	1.7
84.08125	0.8
85.02910	5.9
85.06551	3.0
86.09705	3.0
91.05490	5.0
93.07050	17.2
95.04974	5.8
95.08611	19.1
95.65821	0.8
97.02901	2.0
97.06536	11.5
99.04462	10.9
101.05981	0.7
105.07025	12.8
105.76215	0.8
107.04955	1.7
107.08594	8.8
109.06525	15.2
109.10162	2.1
111.08089	8.9
113.06005	2.7
119.08591	7.7
121.06509	41.5
121.10152	1.5
121.68006	0.8
122.06854	0.8
123.04427	1.8
123.08067	2.0
123.11714	2.7
125.05972	5.9
127.03941	1.8
127.07565	4.9
129.06975	1.2
131.08580	2.2
133.06470	1.4
133.10152	6.8
135.04411	2.3
135.08078	2.7
137.05992	2.1
137.13306	1.2
137.24431	0.7
139.06573	1.0
139.07545	9.2
141.05432	1.4
142.07794	1.9
143.07027	6.1
143.08543	1.9
145.04991	1.1
145.10120	3.0
147.08044	1.6
147.11676	17.9
149.13272	1.7
151.07587	0.9
151.11201	2.5
156.09416	0.9
157.08612	7.4
157.10138	7.0
159.06540	6.5
161.13287	5.0
163.11076	0.8
163.14804	1.5
165.12776	7.4
166.07721	1.1
169.12248	9.0
171.11679	7.7
173.08170	0.9
173.09602	1.1
175.11188	14.6
177.05283	0.9
181.10091	2.1
184.08780	1.0
189.12759	12.7
193.08141	0.7
193.12248	14.3
199.11186	14.0
200.11717	1.0
207.13809	7.6
209.15286	0.7
211.13297	16.1
217.12242	40.4
225.14859	1.2
229.14352	9.0
230.09082	0.7
235.13281	55.9
236.13643	1.8
253.14360	100.0
254.14763	4.0
271.15393	26.4
289.16458	40.5
397.18542	1.2
415.19513	0.8
433.20615	1.0
514.78442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72960	0.4
53.03943	0.5
55.01875	0.4
55.05510	4.8
57.03175	0.4
57.03437	4.6
57.07077	0.5
61.02933	6.0
67.05159	0.5
67.05504	9.4
68.81346	0.3
69.03420	1.3
69.07071	6.1
70.06575	1.2
71.04993	3.7
72.08144	0.5
73.02919	2.1
79.05493	6.1
81.03410	0.8
81.07056	24.7
82.07355	0.4
83.04977	1.6
83.08623	4.8
84.08134	0.7
85.02905	8.2
85.06538	2.9
86.09692	0.9
88.91006	0.4
91.03959	5.4
91.05479	6.1
93.07046	6.7
95.04977	0.7
95.08607	28.2
96.08942	0.6
97.02890	3.9
97.06540	4.8
97.10159	1.5
98.22612	0.6
98.79348	0.3
99.04436	0.6
99.08092	2.8
100.21934	0.3
101.06002	0.3
103.03984	0.4
105.07029	7.7
107.08582	3.3
109.02876	0.6
109.06502	1.0
109.10151	3.3
111.08057	1.5
113.09659	0.9
117.06995	0.4
117.74784	0.3
119.04943	0.4
119.07738	0.6
119.08583	9.9
120.08094	0.7
121.10135	2.1
123.08070	1.8
123.11690	0.4
127.03903	3.0
127.07563	0.4
129.05539	0.4
131.08527	0.3
133.10130	7.3
135.11694	3.9
137.09610	1.3
137.13248	3.0
141.09068	0.6
145.04935	2.1
147.04445	0.5
149.13210	0.5
151.14757	0.4
159.09206	0.5
159.11716	0.6
161.13261	17.1
163.06035	2.4
170.11621	0.3
179.14320	12.5
197.15370	2.1
207.06537	1.3
220.85751	0.3
253.18005	4.1
271.19028	100.0
272.19443	4.0
307.08368	0.4
379.20966	0.5
396.27740	0.4
397.22195	0.4
415.23538	1.6
433.24301	15.1
434.24777	0.5
595.29230	0.9
618.11487	0.4
630.34863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.90368	0.9
55.01872	1.3
55.05513	18.0
57.03439	3.0
57.07083	6.0
61.02933	1.2
67.05504	18.7
69.03440	4.3
69.07070	37.1
69.07452	2.0
69.23768	4.5
70.06597	3.8
71.04987	3.9
71.08629	1.7
71.73142	1.1
71.84726	0.8
72.08158	2.0
73.06564	0.9
79.05500	9.0
79.21454	0.8
81.03423	3.6
81.07056	30.2
83.04969	1.8
83.08622	27.1
84.08144	1.3
85.02912	20.3
85.06554	3.2
86.09714	4.5
91.03923	0.9
91.05492	9.7
93.07047	13.1
95.04965	1.6
95.08611	28.2
97.02894	6.5
97.06540	5.4
97.10170	31.6
98.09689	1.0
99.04486	2.8
99.08099	5.0
103.03988	1.2
105.07034	8.2
107.08601	11.4
109.02901	1.8
109.06477	1.3
109.10158	15.3
111.08070	3.5
111.11716	15.2
113.09642	1.4
115.07633	1.0
117.07069	1.0
119.04928	1.2
119.08582	9.2
120.08086	1.6
121.10150	20.3
123.08063	2.7
123.11705	7.3
125.09634	4.2
125.13258	4.0
127.03941	5.5
127.07580	1.2
133.10132	12.2
135.11690	17.6
136.07585	1.0
137.09637	3.3
137.13264	5.1
139.11203	5.7
143.10730	1.1
145.04961	5.8
147.04437	2.2
147.11679	12.7
149.07016	1.0
149.13287	3.7
151.11192	5.7
151.14832	4.1
153.12785	3.3
157.12231	1.9
161.13257	10.1
163.05965	1.6
163.14807	1.6
165.12730	5.1
167.07056	2.8
167.14278	1.1
169.12270	2.0
173.13301	1.0
175.03946	3.6
175.14830	3.5
177.16479	1.2
179.14383	4.3
183.13876	1.5
191.17944	1.8
193.19522	3.0
197.15395	1.7
207.06522	8.7
207.93045	0.9
209.15430	1.4
214.19746	1.0
217.19518	25.8
227.44342	1.1
235.20566	31.9
253.21628	92.1
254.22035	1.2
271.22684	100.0
272.23035	2.3
275.15186	0.8
289.23727	22.9
468.23236	1.8
468.29398	1.6
595.38031	1.2
630.25647	1.6
630.35571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25262	0.2
55.05501	0.3
56.05017	0.2
56.16087	0.2
56.43137	0.2
68.05042	0.3
69.07066	3.0
69.68037	0.6
70.06593	100.0
71.06927	0.8
72.08154	2.1
86.09708	34.5
87.10054	0.3
91.05509	0.3
93.07058	0.4
98.06052	0.4
98.22734	0.3
103.05492	0.6
105.07043	0.2
114.09157	1.8
120.08105	30.7
121.08475	0.5
132.10223	0.8
142.08647	0.4
148.07600	0.3
174.03729	0.2
183.14943	0.5
193.90050	0.2
211.14478	0.8
217.13361	23.1
218.13637	0.5
221.61568	0.2
233.16476	0.6
245.12862	23.7
246.13271	0.6
255.17064	2.2
263.13971	1.0
267.81876	0.2
279.17032	8.2
324.63019	0.2
330.21918	0.3
339.00558	0.2
352.22318	1.0
358.21417	1.2
376.22311	52.9
377.22620	1.8
411.96301	0.2
471.30078	0.2
489.30780	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	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81818	0.5
55.05513	2.7
57.07077	35.9
59.04996	0.6
67.05496	1.4
67.85986	0.6
69.07063	1.8
69.24020	2.4
69.24418	1.3
71.05006	0.7
71.08630	24.6
73.02934	0.6
73.06557	9.3
73.79836	0.5
74.90170	0.5
79.05490	0.7
81.07077	1.1
83.08624	2.8
85.10187	17.9
87.04475	7.7
89.06032	100.0
91.05489	1.0
93.07053	1.1
94.01917	0.6
95.05009	0.6
95.08599	1.6
96.97437	0.6
97.10168	3.1
99.11735	3.3
105.07024	1.2
106.14497	0.6
107.07048	2.7
107.08587	1.1
109.10206	0.9
111.11713	1.0
113.13266	1.3
117.09136	7.5
119.08593	0.9
121.10115	0.7
124.15546	0.5
130.08624	3.2
131.07063	2.5
131.08623	0.9
131.82532	0.5
133.08607	49.4
145.10155	1.1
147.11674	0.7
155.17950	5.0
161.11710	2.6
165.96617	0.6
175.09682	1.5
177.11224	21.9
179.12753	0.6
199.20552	4.3
219.12144	0.6
221.13762	4.6
223.15306	0.8
239.14842	0.8
240.23331	1.0
243.23204	9.5
244.23618	0.6
246.22398	0.5
265.16473	1.6
283.17627	2.1
287.25854	6.6
309.18997	1.2
327.20078	1.3
371.22827	0.6
415.25262	1.1
459.27863	3.2
613.45245	9.8
630.48590	4.0
631.38220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05044	0.5
60.04529	0.5
69.03436	0.3
69.07069	0.6
70.06596	5.7
72.08153	3.6
74.06081	0.8
84.04502	1.0
84.08148	3.3
85.02899	0.4
86.09708	100.0
87.10022	1.0
91.05462	0.5
101.07120	0.3
102.05546	0.7
110.07137	0.5
112.08728	0.4
115.08720	0.3
117.03362	0.7
119.04940	0.7
120.08112	1.1
129.06598	0.4
129.10254	2.6
130.10530	0.6
132.10201	3.5
136.07553	0.8
139.67050	0.3
142.12360	0.3
143.11819	0.5
144.36626	0.3
145.02893	1.6
145.06099	0.3
146.03209	0.6
147.04422	2.9
148.04745	1.0
155.11826	0.4
156.11993	0.3
157.13338	0.3
159.07605	0.4
177.05470	2.1
178.05791	1.0
184.41583	0.3
199.18083	1.6
201.12547	0.3
202.11824	0.3
204.10210	1.3
205.10609	0.6
217.08464	0.4
227.17580	0.5
234.11368	0.4
235.11591	0.6
245.18613	51.1
246.18971	1.1
390.70914	0.3
441.22388	0.3
469.24881	0.4
482.23730	0.4
550.38959	0.3
631.29877	4.4
631.39008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20536	1.3
53.24492	1.7
55.01876	3.8
55.05514	6.9
56.05036	1.9
58.99585	6.5
67.05515	7.5
69.03421	2.0
69.07069	9.0
70.02953	1.4
70.06582	4.5
70.08331	1.3
74.00666	3.6
76.02224	26.2
76.04005	2.1
79.05493	10.5
80.05009	1.4
81.03402	2.8
81.07060	13.5
83.04985	3.2
83.06091	2.6
83.08610	3.5
84.04507	10.5
85.02885	3.1
85.06540	1.3
86.00661	1.8
86.09674	1.5
86.99059	3.1
87.02667	1.3
88.02187	1.3
91.05477	5.4
93.07036	6.7
95.04975	2.6
95.08604	5.3
97.01104	3.5
97.02845	2.4
97.06507	3.0
97.10181	5.3
99.04466	1.4
99.08117	1.4
103.03964	1.5
105.07018	4.9
107.04966	3.1
107.08599	7.3
109.06516	3.5
109.07615	1.5
109.10155	3.2
112.02188	5.3
113.00595	3.1
113.88342	1.2
114.03746	3.0
116.01671	13.9
117.07018	3.7
119.08569	5.4
120.08121	1.7
121.06434	1.5
121.10158	2.5
123.04430	1.3
123.08081	3.2
124.02184	5.1
125.09609	4.9
126.03740	4.4
127.03927	2.6
129.06577	2.0
130.04977	5.4
131.08560	2.5
133.10130	4.0
135.02704	1.7
135.08043	3.9
135.11694	2.1
138.03783	1.3
140.01622	1.9
142.03217	3.4
144.01138	4.9
145.06189	2.0
145.10106	2.2
149.09657	1.5
151.07539	1.3
153.06560	1.5
153.12756	2.8
155.08171	1.8
159.08054	2.2
159.11707	2.1
161.09674	2.9
162.02217	12.8
163.05867	1.5
163.07529	1.5
163.11230	1.5
170.02687	1.6
170.11740	1.9
177.03403	2.8
179.04878	11.5
180.80804	1.3
185.03792	3.0
187.05431	3.4
192.08345	3.0
193.06792	2.9
193.12326	2.8
194.09908	2.8
222.09421	2.2
224.11067	2.1
227.12794	2.9
231.04320	7.3
233.05885	7.5
236.11000	1.7
238.69588	1.2
240.10541	3.7
242.12128	2.3
254.11934	3.3
266.12015	3.6
278.11954	2.7
284.13184	1.9
289.17996	7.0
297.12738	1.5
303.14145	1.5
307.18918	3.3
308.09174	6.1
311.14172	3.6
321.15155	7.6
346.18503	8.2
347.16534	1.7
353.15393	1.3
357.14685	6.7
364.19388	18.7
365.17844	6.6
369.14737	2.2
382.20566	8.6
392.18927	2.2
400.21564	2.4
429.64914	1.3
439.22446	1.4
449.20914	3.4
467.22134	20.9
468.21854	1.6
485.23175	100.0
486.23355	4.5
521.22870	1.7
557.25287	11.2
596.25989	4.0
609.05280	1.6
631.38196	1.6
632.28723	10.9
632.38641	2.6
633.25049	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	632.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.7
54.32386	0.3
55.01838	0.8
55.05508	5.2
56.05035	1.8
57.03438	6.8
57.03691	0.6
58.06580	0.8
58.45623	0.3
61.02893	0.7
65.03912	0.6
67.05503	12.1
69.03427	6.2
69.07066	7.6
70.06551	1.2
71.04990	2.0
71.46019	0.3
72.04498	1.6
72.08157	4.4
73.02878	0.6
79.05490	5.2
81.03413	7.4
81.07053	16.2
82.06579	0.3
83.04925	1.1
83.08626	2.7
84.08121	0.8
85.02901	12.5
85.06485	0.7
86.09666	0.7
91.05473	1.8
93.07041	4.7
95.04915	0.8
95.08604	19.3
97.02890	5.9
97.06522	6.4
97.10103	1.3
98.09692	26.0
99.04448	8.9
99.08084	6.2
102.09147	0.5
103.03935	7.3
105.06976	1.4
107.08590	4.1
108.65446	0.4
109.02183	0.4
109.02869	6.6
109.10152	6.0
111.08021	0.8
111.11639	0.4
113.09651	3.0
115.07507	0.9
119.08572	1.6
121.10130	3.2
123.11640	1.3
124.11159	1.0
125.09589	0.7
127.03911	15.3
128.66534	0.4
133.10081	0.7
135.11667	2.1
142.12270	17.4
144.54343	0.4
145.04945	2.7
147.11624	0.9
149.13191	1.0
156.13773	0.6
161.13199	0.5
163.14796	0.6
187.06017	0.9
212.59453	0.5
219.52194	0.4
263.23709	0.8
290.28436	1.7
308.29449	18.1
309.29834	0.6
326.30511	45.6
327.30887	1.7
338.25632	0.3
368.31720	0.5
427.50223	0.3
511.13315	0.4
570.40070	1.2
632.39996	100.0
633.31171	0.5
633.40515	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	633.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67801	0.6
53.03937	0.7
54.32602	0.7
55.05507	2.0
57.03426	0.8
67.05506	3.8
69.07061	2.8
70.06595	1.7
70.15968	1.3
70.16280	0.8
71.04964	0.9
74.09672	0.7
79.05488	2.5
81.07058	5.7
83.05000	1.3
83.08617	1.0
85.02903	3.1
91.05473	3.7
93.07034	4.8
95.04975	3.2
95.08607	3.8
97.06526	1.4
98.23430	0.8
103.87367	0.7
105.07029	4.3
107.08595	3.8
109.06544	1.9
109.10146	2.1
117.07033	1.2
118.98659	0.9
119.08588	5.0
121.06503	1.1
121.10159	4.4
123.08082	1.7
123.11700	3.6
125.05988	1.9
131.08577	2.5
133.10138	2.4
135.08086	1.4
135.11693	2.0
137.09634	0.8
141.52693	0.7
143.08591	1.0
145.06618	0.8
145.10143	4.1
147.08061	1.1
147.11711	1.7
149.09613	1.7
151.07571	1.2
154.94125	1.2
155.08524	0.9
157.10123	2.1
159.11705	1.7
161.09601	0.9
163.11206	2.2
167.05333	0.8
167.10661	2.6
169.10263	1.0
171.11670	2.0
172.95267	1.4
173.09724	1.1
180.22403	0.7
181.12212	1.7
183.11742	1.1
185.93210	0.9
189.12737	0.9
197.13193	1.3
207.13786	1.9
209.13333	0.9
209.15553	0.7
213.12843	1.1
221.15381	1.8
233.15485	1.7
249.22914	0.8
267.12088	1.4
317.17896	0.8
323.14810	1.4
333.20300	6.7
389.23080	4.8
409.27094	1.2
453.17282	1.1
633.35919	100.0
634.36182	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	635.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02296	0.3
51.02372	0.3
55.05502	0.4
67.05506	0.5
69.07076	0.5
70.06598	2.3
71.44679	0.3
72.08168	0.4
78.88129	0.3
79.05493	0.4
81.07071	0.8
82.38322	0.3
84.08146	1.0
85.02892	0.6
86.09699	1.7
91.05479	0.4
93.07026	0.4
95.08612	0.8
97.02865	0.3
105.07042	0.4
119.08598	0.4
120.08124	0.5
127.03953	0.3
128.10728	2.3
129.11107	0.3
133.10162	0.3
137.07845	0.3
147.04311	0.3
156.28310	0.3
167.07098	0.5
185.04210	0.5
203.05298	1.3
229.10098	0.3
245.06183	0.4
250.11493	0.4
259.07990	1.2
259.22507	0.3
298.71649	0.3
305.08340	0.5
311.18408	0.7
319.02512	0.3
328.28635	0.4
347.09402	1.6
350.08829	0.5
365.10565	3.9
373.27789	0.3
421.13251	1.3
428.17755	0.4
443.22501	0.6
473.23590	19.0
474.23895	1.0
605.27869	0.4
634.37402	0.4
635.28802	100.0
636.28937	5.1
636.38239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.4
58.06602	100.0
59.06931	0.7
62.95084	0.5
69.03425	0.8
69.91589	1.5
70.06593	0.6
73.05308	1.0
81.03450	0.6
85.02913	1.1
88.07632	1.7
97.02914	0.8
98.23429	0.6
118.08672	1.7
181.47246	0.5
183.98242	0.5
187.06041	0.7
246.18240	0.6
293.20697	0.6
305.72000	0.5
342.26572	1.2
356.26257	0.6
462.42953	0.6
504.31876	1.3
551.46729	0.5
636.35876	64.9
637.19324	1.9
637.36206	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	636.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16061	0.4
67.05492	0.9
69.07041	0.5
81.07031	0.6
95.08577	0.6
98.98449	2.6
107.08551	0.6
118.06509	1.2
125.00002	5.6
144.08081	6.6
145.80020	0.5
146.09555	0.5
158.09648	3.7
159.10394	1.5
160.11212	0.7
172.11211	2.0
176.14336	10.0
184.07323	1.3
202.15901	88.1
203.16295	2.2
220.16957	8.6
257.14343	0.5
279.20145	0.6
300.13586	100.0
301.14078	2.5
500.14926	0.5
618.39069	1.8
636.40375	6.4
637.26349	0.9
637.39856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67223	0.8
67.05504	1.3
68.92715	0.9
78.18230	0.9
81.07064	2.2
86.09687	1.1
95.08591	1.8
98.98478	1.9
115.05263	1.0
118.06538	4.2
122.30188	1.0
125.00000	6.6
132.08060	1.7
144.08078	11.6
158.09682	3.4
162.09151	2.1
172.11246	4.4
176.10754	1.9
176.14336	21.8
184.07434	2.6
190.12331	1.8
202.15906	100.0
203.16183	2.0
214.43294	1.1
220.16965	90.9
221.17380	3.1
294.00278	1.0
300.13599	77.5
301.14044	1.4
618.39020	8.4
636.40216	41.4
637.26355	2.2
637.39929	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45899	0.8
54.24236	0.7
58.15532	0.7
68.16094	0.7
69.41088	1.9
69.41482	1.8
74.71205	0.7
85.24368	0.7
103.65070	0.8
107.47826	0.7
131.84938	0.8
147.95555	0.8
205.33061	0.6
215.98840	0.8
385.14700	1.0
391.19073	1.3
393.20734	1.6
399.16541	0.8
400.17224	2.2
401.17542	2.3
407.22250	1.7
413.17728	1.8
414.18661	2.2
415.19348	5.8
416.20407	0.9
421.20502	0.9
428.20081	2.7
429.21243	6.5
430.21634	1.4
433.20386	1.0
435.21634	1.5
443.18246	2.3
443.22919	2.3
444.19403	3.9
444.24347	1.1
445.20230	2.2
457.20370	3.7
458.21204	4.3
471.22217	5.4
472.23026	4.9
473.19324	3.5
474.20541	1.0
484.19092	1.2
485.19904	2.2
486.20416	5.6
487.21313	2.8
488.21671	1.1
489.23370	1.2
490.19531	1.6
491.20688	1.1
499.21191	9.3
500.21933	3.1
503.24689	3.3
513.19037	1.0
514.20093	0.9
515.20459	0.8
516.21814	1.3
517.22260	3.4
527.21106	1.9
528.21344	1.3
531.23907	10.6
543.24030	1.4
559.23370	82.8
560.23621	5.7
587.22876	14.5
588.23132	1.4
619.25494	100.0
620.25842	6.4
637.26611	15.4
638.27740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01852	1.1
55.05494	0.5
56.05024	0.4
57.03419	0.8
58.06576	0.4
59.53566	0.3
60.04489	0.5
61.02897	0.9
61.36858	0.3
62.06097	1.9
62.66241	0.3
67.05502	0.4
67.06187	0.3
69.03429	5.9
69.07030	0.4
70.02944	0.6
70.06585	4.2
70.53685	0.3
71.04978	0.5
71.08282	0.4
71.08630	5.6
71.44916	0.5
72.08138	1.7
73.02882	1.3
79.05486	0.7
81.03414	2.5
81.07061	2.8
83.04942	0.3
84.04491	0.7
84.08121	1.5
85.02415	0.5
85.02901	6.9
86.06066	21.3
86.09708	1.9
86.59261	0.4
87.04453	0.6
87.06359	0.4
88.03952	0.5
91.05466	0.9
93.07035	1.7
95.08571	1.0
96.08110	1.4
97.02897	4.3
98.06066	0.4
98.09666	1.6
99.04431	1.7
99.08092	9.1
100.07571	0.4
101.02381	3.6
103.03944	0.8
105.07015	0.5
107.08563	0.5
108.08086	1.3
109.02896	1.7
109.05842	0.5
109.06516	5.5
110.05972	0.5
110.07112	0.4
110.09641	0.5
111.08071	5.4
114.09180	0.8
116.10725	9.2
120.01587	0.3
120.08089	0.8
121.06499	0.5
121.08846	0.7
122.09695	0.4
124.07568	0.7
124.11201	0.3
126.05551	0.4
127.03918	5.1
127.21366	0.3
129.10229	0.4
131.85413	0.3
133.10179	0.5
134.09682	2.6
135.07933	0.4
135.10489	0.5
136.07547	1.0
137.05980	3.4
138.09125	1.2
142.08615	1.0
142.12259	1.7
143.10706	2.8
145.04968	2.3
145.10126	0.4
147.04478	0.4
152.10724	2.2
163.05983	0.6
170.11749	5.9
177.05396	0.4
180.10226	2.3
198.11246	100.0
199.11569	1.6
209.37704	0.4
214.18095	0.8
216.12308	76.0
217.12692	1.0
225.11211	0.4
230.11732	0.3
243.12152	0.8
261.13333	3.5
296.18634	2.6
314.19614	13.6
332.27975	0.7
360.16519	9.5
378.17563	15.6
379.17697	0.7
458.23837	1.6
476.24921	13.9
522.21899	1.4
540.23138	0.9
638.38837	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05503	0.5
60.24463	0.3
67.05501	1.2
69.39830	1.2
69.40244	0.6
71.08555	0.3
71.32597	0.3
73.20084	0.4
79.05482	0.6
81.07060	1.4
90.30181	0.3
91.05476	0.6
93.07035	0.4
95.04978	0.7
95.08598	0.6
101.18041	0.4
107.08626	0.6
109.10188	0.4
119.08591	0.7
120.08123	0.5
130.40179	0.3
131.08640	0.4
139.92444	0.3
159.11694	0.5
204.06563	0.4
211.17268	0.4
225.10231	0.5
231.19055	0.3
241.13440	0.5
391.15430	0.5
393.16888	0.9
393.21152	0.9
404.16321	0.4
405.17078	1.1
406.17847	0.5
407.18448	1.8
417.16800	0.5
419.18912	1.1
420.15222	0.6
421.20386	4.9
422.20883	1.9
423.21719	1.0
431.18826	0.7
432.19473	0.7
433.15845	0.7
433.20496	1.3
434.17529	1.5
435.17343	2.1
436.23080	2.1
437.23401	0.6
447.22214	1.1
448.18701	2.4
449.19565	9.6
449.24930	0.5
450.20389	3.1
451.21365	0.6
459.18109	1.0
460.18613	0.6
461.19818	0.9
463.21521	5.2
464.22162	5.1
465.22906	1.3
473.19501	0.7
474.20642	0.9
475.21252	1.6
477.18814	5.6
478.19327	1.7
479.20789	0.9
491.20889	1.6
492.21616	1.0
493.22687	0.8
495.23886	0.8
505.22870	0.7
507.23242	1.0
521.21954	0.5
523.23126	1.9
527.24084	0.5
533.22107	1.5
535.23633	3.6
536.23907	1.4
537.21924	1.6
550.26031	1.6
551.26654	3.2
561.25104	3.6
563.24036	0.6
564.23779	4.9
565.23993	1.9
579.25903	6.6
580.26654	0.8
581.23987	0.8
592.22772	0.5
595.25653	2.7
596.26605	1.2
607.25861	0.6
610.27551	0.9
619.59973	0.4
621.27283	3.6
621.38165	0.4
621.41418	0.5
624.25836	5.1
625.26294	0.6
639.28094	100.0
640.28180	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	639.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.0
55.72488	0.3
56.05012	0.4
57.07076	1.0
58.06343	0.6
58.06606	7.1
66.92522	0.4
67.05492	0.5
69.07072	0.5
70.06587	0.8
72.08157	13.0
73.06561	2.6
79.05498	0.8
80.94865	0.3
81.07072	0.7
83.04970	1.7
84.08148	0.5
86.09710	22.8
91.05462	0.6
93.07050	0.7
98.06072	0.8
98.09702	0.7
100.11259	100.0
101.06034	2.6
101.11588	1.1
105.07036	0.6
119.08540	0.5
140.14342	3.5
146.11743	2.7
154.12291	2.1
154.15881	0.9
172.13303	2.8
182.11720	0.4
200.16476	1.7
210.14883	0.6
211.14374	0.6
214.14313	1.0
228.15956	8.3
249.19579	0.5
285.21738	5.6
289.17728	0.4
299.20233	0.3
299.23276	8.5
313.21152	0.7
327.22775	12.5
339.26450	0.5
367.25928	0.4
395.25531	1.4
412.31662	0.7
440.31210	2.5
454.19882	0.5
458.32211	6.8
459.32343	0.4
484.33664	0.6
512.33234	0.8
515.31433	0.4
526.34662	0.8
533.32587	0.7
540.36609	0.4
547.33972	1.0
563.34650	0.7
581.36316	1.7
603.39148	0.5
607.25525	0.6
611.43793	35.1
612.44446	1.8
621.38922	2.3
639.40753	34.3
640.40631	3.1
668.36395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74089	0.3
52.31196	0.4
55.05506	0.7
58.06606	0.5
67.05502	0.9
69.03419	1.0
69.07068	0.8
70.06235	0.8
70.06595	11.5
71.04980	0.4
71.06907	0.4
72.08150	1.8
81.03429	1.1
81.07056	1.5
85.02921	2.6
86.09709	5.7
91.05493	0.8
93.07036	0.4
95.08618	0.8
97.02893	1.3
98.06065	0.5
99.04469	1.5
103.03924	2.3
109.02885	1.2
109.10168	0.5
110.09682	0.6
111.04187	1.3
120.08098	0.8
127.03922	3.0
128.04242	0.6
145.05002	0.5
157.09779	1.0
160.71169	0.4
170.11708	0.6
185.09225	1.3
185.16504	1.7
189.05234	63.7
190.05986	8.5
201.12370	0.7
207.06386	0.7
213.15878	1.0
219.13419	0.4
230.07878	0.6
241.73508	0.4
245.07916	0.5
262.02490	0.4
263.08884	1.2
265.55173	0.4
277.10645	0.4
298.27524	0.5
316.18655	6.5
327.60245	0.4
333.38144	0.5
334.29492	1.9
335.29871	1.6
411.14426	0.6
429.15170	6.6
429.27097	1.1
443.16730	0.9
444.17599	7.6
445.18045	0.9
640.39355	2.6
641.25421	100.0
641.38727	5.8
642.25995	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	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01824	0.6
55.05448	1.5
57.03384	0.5
57.16477	0.3
61.60123	0.3
64.14191	0.3
67.05500	4.2
69.06997	1.0
73.78577	0.3
74.56522	0.3
75.13852	0.3
79.05486	3.9
79.26740	0.3
81.07056	4.0
81.46179	0.3
83.04942	0.6
83.08554	0.7
85.06526	0.3
91.05484	3.2
93.07030	3.2
95.04913	0.9
95.08622	2.2
97.06452	0.5
105.07037	2.5
107.08605	1.6
109.06425	1.0
109.10059	1.2
117.06950	1.0
119.08589	2.6
121.06428	0.4
121.10139	1.9
121.10872	0.3
123.07944	0.4
123.11647	0.3
125.09606	0.5
129.06918	0.7
131.08566	1.9
133.10135	1.9
135.08022	0.5
135.11603	1.0
143.08470	1.0
145.10034	1.5
147.11595	1.1
149.09573	0.6
149.13213	0.4
155.08499	0.5
157.10048	0.7
159.11618	0.9
161.13168	1.1
169.10072	0.5
171.11588	0.6
173.13208	0.7
175.14758	0.5
183.11554	0.6
187.14783	0.4
197.13278	0.4
211.14708	0.4
241.19495	0.8
259.20496	1.2
275.20071	1.7
322.95551	0.3
333.24274	1.7
343.87112	0.3
349.23746	0.7
365.23257	0.4
367.24786	0.8
369.38412	0.3
396.12241	1.2
397.12906	1.8
398.13907	1.0
399.14642	0.4
409.13004	0.6
410.13852	3.0
411.14471	5.6
412.15298	4.4
413.15961	2.7
423.10287	0.7
423.14697	1.3
424.10468	0.7
424.16083	2.5
425.16272	11.3
426.16846	9.3
427.17587	2.2
428.18472	1.2
437.11441	0.6
437.16281	1.0
438.12262	3.4
439.13583	14.1
440.14133	1.2
440.19080	4.8
441.19266	33.2
442.19791	2.8
451.13589	0.4
451.18274	0.5
452.14230	3.4
453.15237	15.3
454.15939	5.9
455.16769	0.4
457.15030	0.5
463.14096	0.9
464.15140	0.3
465.15579	0.5
466.11542	0.5
466.16907	0.7
467.17133	24.3
468.17795	14.4
469.18796	12.0
469.25403	0.7
470.18799	1.3
471.16672	0.6
472.18210	0.5
478.16162	0.5
480.17480	0.5
481.14728	12.9
482.15277	3.5
483.16238	0.6
485.18085	0.9
494.17712	0.6
495.15787	3.1
496.17184	13.0
497.17938	2.9
498.18762	0.9
499.20401	0.6
508.18845	0.6
509.18372	2.5
510.19739	0.4
512.20459	0.7
513.20160	0.4
514.22571	2.2
515.38715	0.5
522.17194	0.6
523.19727	1.7
526.18396	0.5
527.23450	2.5
537.18854	0.6
540.20331	0.7
542.21667	0.7
551.40692	0.7
555.22382	23.8
556.22473	2.9
568.19275	0.7
583.21863	100.0
584.22089	10.5
586.20984	0.4
587.24744	1.1
607.43396	0.9
611.21222	2.0
614.23468	0.4
615.24493	9.4
616.24597	1.1
625.43994	1.9
643.23914	69.6
644.24078	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	643.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
64.65942	1.7
67.05505	5.2
69.07032	2.8
69.22821	9.0
73.95506	1.6
79.05498	4.2
81.03433	1.5
81.07065	5.8
91.05466	5.0
91.30523	1.6
95.08630	3.9
98.22655	3.3
105.07038	3.4
107.08652	2.5
117.07072	2.0
119.08627	2.5
130.56564	1.6
145.10172	2.2
168.66551	1.6
196.11324	2.2
225.13702	1.9
246.11415	1.9
257.27188	1.8
261.13873	2.7
264.23178	2.0
275.15509	2.4
289.16876	2.5
291.19632	2.7
363.16061	1.9
368.21295	3.6
377.17563	7.7
379.19257	3.4
381.20779	2.1
390.18427	2.5
391.19183	7.6
392.19943	5.5
393.20779	4.1
395.18542	4.1
405.20898	6.2
406.21567	3.4
407.22601	10.4
408.19049	2.4
409.20145	13.1
421.23593	7.0
423.21686	10.1
437.23480	2.4
451.21097	3.7
465.22836	13.9
479.24451	7.9
493.26041	3.4
495.28000	8.0
496.24478	2.6
511.27274	14.6
525.28143	3.0
537.24457	3.9
539.26813	2.1
541.27942	3.4
553.28595	1.9
555.25806	3.4
561.02374	2.4
567.29816	21.3
568.30121	3.0
569.27301	6.5
583.29089	10.7
584.29596	4.0
590.61896	1.8
599.32306	100.0
600.31976	8.6
643.31409	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	643.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61827	4.7
64.47944	4.6
69.31377	4.6
69.58167	3.9
105.07015	4.4
117.07095	4.1
312.29132	4.0
315.18707	4.8
321.42215	4.3
333.20346	100.0
361.24603	4.3
410.26273	4.4
550.11108	4.8
580.33026	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03939	3.8
55.01867	5.9
55.05508	23.4
57.03437	10.0
57.07063	3.9
61.00006	0.7
63.49263	0.9
65.03939	3.7
67.05502	57.1
69.03416	2.1
69.07067	24.6
71.04997	4.5
73.71706	0.8
77.03928	2.6
78.82950	0.7
79.05492	59.0
80.05821	1.2
81.03413	2.8
81.07055	100.0
82.07375	1.6
83.04982	5.7
83.08618	11.8
85.06554	4.2
91.05478	68.1
93.07044	51.1
95.04967	15.0
95.08605	37.6
95.09216	1.9
97.06528	8.1
97.10174	3.5
98.22486	0.8
99.08081	3.1
103.05480	2.8
105.04514	3.7
105.07026	69.7
106.07349	0.9
107.04942	7.8
107.08592	31.3
109.06516	17.3
109.10162	13.1
111.08067	5.1
113.05986	1.0
113.09570	1.0
115.05450	2.3
115.32528	0.8
117.07017	19.5
119.08580	56.0
119.68690	0.8
121.06519	3.8
121.10133	22.4
123.08067	6.4
123.11693	8.6
125.09611	1.7
128.06236	1.9
129.05542	1.2
129.06998	12.1
131.08563	28.4
133.06439	0.9
133.10132	35.9
134.10492	1.3
135.08066	4.3
135.11696	14.6
137.09607	3.6
139.11206	1.3
141.07004	1.8
142.07759	1.4
143.08560	7.1
145.06493	1.0
145.10118	22.1
147.08055	1.6
147.11679	40.1
149.09636	7.0
149.13245	9.5
151.11148	2.6
155.08528	2.3
157.10117	10.3
159.08026	2.1
159.11687	17.5
161.09685	2.1
161.13268	19.9
163.11176	6.2
163.14830	3.5
165.12816	4.9
167.08540	1.1
168.59509	0.8
169.10164	3.0
171.11681	11.1
173.09547	1.1
173.13258	11.7
175.11189	3.8
175.14850	8.1
177.12720	2.4
179.14261	1.2
183.11676	3.7
183.13292	0.9
185.13223	7.2
187.14835	3.1
189.12679	1.4
193.12268	1.6
197.13261	2.0
199.14932	3.9
201.12793	1.3
211.14752	1.1
213.16385	1.7
215.18030	1.1
217.15884	1.3
223.13022	0.9
229.19481	2.2
231.17371	1.0
231.21072	4.4
239.17952	2.9
241.19510	21.8
241.21849	1.7
243.21063	1.1
247.20627	2.3
257.19067	5.9
259.17773	1.9
259.20572	39.2
260.20956	1.9
273.18427	2.1
274.04739	0.8
275.20068	31.3
276.20239	1.1
277.21558	2.9
291.19489	3.8
293.21109	9.8
315.23163	6.2
333.24237	43.7
334.24451	1.5
335.25842	2.3
349.23730	6.1
351.25302	2.7
365.23236	1.1
367.24762	25.0
515.37744	2.0
533.39709	3.2
551.40613	3.2
581.85870	0.9
607.43262	3.9
625.44427	11.3
626.44604	1.6
643.44537	1.6
652.01819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09478	0.2
53.03934	0.4
55.01865	0.4
55.05503	2.1
57.03175	0.4
57.03430	2.7
57.14585	0.2
58.36405	0.2
61.02637	0.3
61.02924	4.9
65.03943	0.4
67.05157	0.5
67.05502	6.5
68.05465	0.3
69.03418	0.9
69.07072	3.7
70.06589	0.4
71.04990	1.1
72.08124	0.2
73.02908	1.8
79.05489	3.3
81.03410	0.5
81.07054	21.7
82.07366	0.5
83.04973	2.0
83.08610	2.5
85.02902	6.9
85.06540	1.3
86.09710	0.5
90.74857	0.2
91.03954	4.6
91.05474	6.7
93.07047	3.0
95.04961	0.9
95.08604	4.1
96.08133	0.4
97.02879	2.7
97.06535	1.9
97.10119	0.4
99.04451	0.4
99.08071	1.6
101.06027	0.3
104.10744	0.5
105.07025	10.2
106.07333	0.2
107.04916	0.3
107.08593	3.4
109.02869	0.3
109.06510	1.3
109.10106	0.4
111.08064	0.5
113.06031	0.5
114.09162	0.6
115.03889	0.2
119.08574	7.9
121.10143	7.9
123.08081	1.2
123.11704	10.7
127.03917	1.8
127.07536	1.2
129.06958	0.4
131.08580	0.5
133.10143	1.3
137.09589	0.3
137.13258	0.9
141.09114	0.4
145.04947	2.1
145.10120	0.3
147.11678	30.2
148.12024	0.7
157.10135	1.0
163.06015	3.3
165.12741	14.8
166.13055	0.4
175.11189	1.3
183.13776	1.8
184.07318	0.3
185.17181	0.2
191.07043	0.3
193.12219	1.1
229.14304	3.6
259.94958	0.2
267.15900	22.6
268.16281	0.5
285.16949	100.0
286.17267	2.6
303.17963	0.4
315.79727	0.3
396.66434	0.3
411.20023	0.3
429.21005	0.8
447.22223	5.4
448.22885	0.3
486.40845	0.2
560.22406	0.3
609.27686	0.6
644.30469	0.3
644.36279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79029	0.4
53.03941	0.5
55.01870	0.5
55.05507	2.5
57.03438	3.1
57.07058	0.5
59.04973	0.5
61.02927	6.0
67.05164	0.5
67.05507	7.1
69.03420	1.3
69.07074	4.8
69.23016	0.4
70.06600	1.9
71.04995	1.4
72.08130	0.4
73.02925	2.4
79.05492	4.1
81.03423	0.6
81.07056	24.3
83.04986	2.0
83.08624	2.9
84.08146	0.8
85.02408	0.6
85.02907	8.3
85.06551	1.3
86.09709	0.9
91.03956	7.3
91.05479	7.5
93.07047	4.1
95.04976	0.7
95.08604	5.0
96.08131	2.1
97.02896	3.4
97.06532	2.4
97.10143	0.4
99.04450	1.4
99.08080	1.9
101.06015	0.5
105.07034	10.6
107.04948	0.4
107.08598	3.3
109.06532	2.3
109.10165	0.5
110.07182	0.6
111.08074	0.8
113.06053	0.5
114.09167	4.6
119.08581	10.1
121.10148	8.1
123.08064	1.6
123.11707	10.6
127.03923	3.0
127.07538	1.2
129.07004	0.6
131.08571	0.6
133.10114	1.7
137.09573	0.5
137.13249	1.2
141.09158	0.5
145.04941	2.3
147.11688	29.0
148.12094	0.6
157.10098	1.1
163.06026	4.3
165.12752	13.6
166.13194	0.5
167.07062	0.5
175.03926	0.6
175.11198	1.2
183.13824	1.5
193.12263	1.3
211.13309	0.7
229.14319	3.6
249.18445	1.4
267.15909	31.7
268.16290	0.9
285.16968	100.0
286.17264	3.0
303.18079	1.5
320.25644	0.8
338.26898	0.5
438.28061	0.6
447.22177	1.8
468.54327	0.4
644.36725	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	644.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97833	0.6
66.99783	0.5
69.07066	2.0
70.06591	100.0
71.06932	0.8
72.08144	1.8
86.09704	41.4
99.55138	0.6
103.05445	0.9
114.09193	1.7
120.08104	33.9
126.81275	0.6
137.56830	0.5
146.11757	8.7
178.52937	0.5
191.78568	0.6
217.13364	29.5
233.16544	0.9
245.12862	27.7
255.17093	2.6
273.31610	0.6
293.18594	8.6
352.22141	1.0
358.21063	1.9
381.89706	0.7
390.23865	44.9
391.24420	1.8
503.32138	3.1
656.84503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
61.02906	0.7
69.03439	2.3
70.06599	4.7
71.06911	0.4
72.08158	1.8
73.02877	0.4
81.03384	0.9
84.04469	0.9
84.08155	2.2
85.02911	5.2
86.09721	2.5
87.05590	0.3
91.03906	0.4
94.06545	0.5
97.02898	1.7
98.06064	0.4
99.04456	0.4
101.07135	0.3
103.28469	0.3
109.02847	0.8
110.07129	0.6
114.74833	0.3
115.08718	0.4
116.07076	0.5
120.08138	0.4
122.06057	0.4
124.07582	0.5
127.03892	1.2
127.04826	0.3
129.10258	1.6
136.07596	1.8
137.02364	0.6
138.09158	0.3
140.07098	0.4
145.04932	0.8
147.63969	0.3
152.24600	0.3
153.01860	0.5
155.08138	0.4
182.08347	0.5
183.09152	0.6
184.11273	0.4
185.07043	0.5
191.03317	0.4
195.09190	1.5
196.09970	6.7
196.11610	0.6
197.08424	0.4
197.10573	0.5
198.11400	0.4
201.13890	0.4
202.12180	0.5
209.06996	0.7
210.07884	0.7
211.03835	0.3
211.08598	1.5
211.12337	3.1
212.09181	1.6
212.10966	7.1
213.10155	1.6
223.08687	0.8
223.12286	0.8
224.09396	5.2
225.10112	0.7
226.11090	1.3
227.11983	0.4
229.13402	1.2
230.11783	0.4
237.10139	0.5
239.11801	22.3
240.12286	1.2
241.09665	0.6
241.13380	8.8
242.11702	0.4
243.11241	0.6
245.11201	0.4
254.10558	0.4
257.12845	1.3
259.14456	0.6
261.12534	0.5
267.11288	87.5
268.11731	2.8
269.12778	1.1
271.10764	1.0
272.11646	0.8
273.12344	0.7
285.12347	100.0
286.12842	3.1
287.13885	1.3
303.13403	80.0
304.13654	2.7
305.15131	0.5
321.14401	0.8
421.19815	0.6
447.17603	1.2
449.10904	0.7
465.18799	5.3
576.34491	0.3
582.85425	0.3
644.38495	0.4
644.84277	0.4
645.36884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.05514	32.5
57.03446	20.4
57.07076	4.7
57.75059	4.3
65.03943	3.7
67.05164	5.6
67.05507	98.8
69.07065	25.9
71.04991	5.1
77.03921	3.7
79.05495	90.3
81.06621	6.9
81.07057	85.3
81.63174	3.4
83.04982	5.1
83.08612	14.2
86.56784	3.8
91.05482	81.1
93.07045	98.9
95.04948	10.8
95.08607	66.1
97.10165	6.4
105.04477	7.3
105.07034	80.7
107.08591	50.2
109.10165	30.1
117.07018	26.0
119.08576	56.4
121.10163	41.1
123.11729	9.1
129.07024	13.4
131.08583	33.0
133.10127	45.1
135.11719	25.3
143.08566	16.8
145.10147	24.7
147.11690	47.6
149.13287	15.8
155.08513	5.1
157.10152	11.0
159.11674	26.2
161.13225	22.5
163.14821	3.8
169.10088	4.9
171.11723	12.5
173.13257	9.7
175.14828	12.6
181.76656	4.3
185.13239	11.6
187.14882	5.6
196.43262	4.0
199.14934	4.8
213.16408	5.7
231.21098	5.8
239.17825	7.4
241.19579	25.5
257.19125	6.9
259.20563	69.0
260.20874	4.0
261.22021	10.2
311.96301	4.7
315.23096	9.6
333.24274	54.9
335.25806	100.0
351.25034	6.1
363.68427	4.4
459.00336	4.7
519.41669	4.9
593.45349	8.1
611.46655	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	647.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10621	0.5
69.14561	3.4
71.27389	0.6
71.54089	0.6
89.30605	0.6
91.72009	0.6
95.59978	0.5
98.22684	0.9
105.07046	1.0
131.31842	0.6
133.06488	4.6
143.52742	0.6
155.04688	3.6
201.03703	1.4
203.05295	6.4
264.15338	0.7
335.11005	100.0
336.11328	2.7
356.78085	0.6
589.28516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07071	0.8
61.71101	0.6
62.89520	0.7
64.08004	0.7
67.05508	1.5
72.17663	0.7
79.05512	1.6
81.07049	1.6
85.06548	0.9
91.05505	1.7
92.37391	0.8
93.07048	1.6
95.04949	1.5
95.08605	1.4
97.06536	0.9
105.07062	2.2
109.10147	1.0
115.01828	0.8
119.08578	1.8
121.06531	0.8
121.10147	2.1
123.08050	1.2
128.44661	0.8
131.08583	1.0
133.10162	1.0
135.11749	0.9
145.10120	1.7
155.08649	0.9
159.11726	0.8
167.10689	2.3
171.29248	0.8
181.12218	0.8
183.11801	1.1
198.97466	1.0
215.14305	0.8
221.15417	1.3
429.26184	2.6
485.28815	1.9
642.46228	0.8
647.33948	100.0
648.33765	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	647.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93230	0.2
55.05503	0.3
56.05044	0.3
65.89367	0.2
69.07062	0.5
70.06596	3.7
71.20541	0.3
72.08159	1.8
74.06078	0.4
83.03684	0.2
84.04495	0.4
84.08141	1.9
85.02865	0.3
86.09707	100.0
87.10043	1.0
102.05541	0.3
110.07137	0.6
113.07108	0.2
120.08089	0.4
129.10248	2.4
132.10197	3.9
161.85229	0.2
177.05403	0.3
199.18060	1.7
226.15410	0.3
227.17603	0.4
245.18605	61.3
246.19016	1.5
391.23294	0.4
402.15186	0.2
521.86328	0.3
647.34631	0.7
648.36670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
56.05030	1.7
57.03426	0.7
60.04508	1.6
69.03416	1.4
69.45030	2.1
70.02953	26.4
70.06580	1.0
71.06124	0.8
72.04514	0.7
74.00670	0.4
74.02438	3.4
76.04002	8.0
80.05056	0.5
81.03411	0.5
82.06573	1.0
83.06111	3.0
84.04507	10.0
85.02909	4.4
86.09753	0.4
88.03972	3.0
96.04472	0.9
97.02890	1.1
98.06073	0.5
98.22749	1.0
99.05572	7.3
100.03970	0.6
103.04998	0.9
107.06076	0.9
108.04475	0.9
109.02868	0.6
109.07627	2.1
109.57840	0.4
110.06012	1.2
112.03962	2.4
116.03454	3.4
117.06609	1.4
121.01095	2.5
124.03954	1.4
125.07079	2.0
126.05517	1.0
127.04057	0.6
127.05046	2.0
129.06596	4.6
130.04102	0.8
130.05006	9.5
131.04910	1.4
133.35501	0.4
135.05527	1.1
136.03931	0.8
137.07086	1.7
145.06078	100.0
146.06415	1.2
147.02637	0.6
149.00558	8.1
153.06590	6.2
155.08139	4.7
156.06587	0.7
160.00670	3.9
160.05148	0.9
163.02164	1.7
165.00044	2.0
165.06596	1.0
167.01614	0.9
169.06076	1.0
171.07657	0.7
175.02171	0.9
175.03856	0.6
177.03107	0.6
179.01614	8.9
181.06070	1.9
183.07709	0.9
187.05325	0.6
189.00012	0.7
191.01587	0.9
192.99500	2.1
193.03241	3.6
193.06004	0.9
194.02711	5.6
195.01109	16.4
199.07144	9.8
207.01091	6.5
208.04256	3.5
208.05959	0.7
209.02710	1.1
209.05650	0.8
211.07121	10.9
218.02704	0.6
219.01112	2.7
231.04289	0.7
236.03743	6.5
237.02205	1.8
254.04776	1.0
255.06137	0.8
256.09280	0.7
257.07700	0.5
264.03256	35.7
265.03616	0.8
274.10321	5.6
292.49344	0.5
296.05688	0.7
297.05463	1.1
313.08572	1.1
322.03821	1.6
339.06412	8.9
347.07162	0.6
357.07495	13.6
358.07593	0.7
365.07928	1.1
367.09732	0.8
393.07440	8.2
394.07336	0.6
394.74515	0.4
405.07434	1.9
411.08575	12.8
423.08453	1.2
442.12631	0.6
468.10666	5.8
469.09918	0.6
486.11765	44.5
487.11905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74701	0.4
53.03944	1.5
55.01866	0.8
55.05516	5.1
56.05045	0.8
56.08627	0.3
57.03438	3.3
57.07064	0.5
58.06625	0.4
59.04998	0.7
61.02914	0.8
67.05506	4.9
68.67571	0.4
69.03425	4.6
69.07071	5.6
69.45489	0.7
69.45856	0.7
70.06597	3.4
71.01356	0.5
71.05001	2.5
72.08154	4.0
73.02924	0.9
74.83670	0.4
79.05496	4.7
81.03420	6.0
81.07059	6.9
83.04978	1.6
83.08613	4.8
84.08170	0.9
85.02905	12.6
85.06564	0.9
86.09714	1.3
87.04456	0.6
89.83007	0.3
91.05483	2.1
93.07049	6.3
93.07598	0.5
95.04977	1.2
95.08617	4.0
96.08147	0.4
97.02898	5.9
97.06528	3.5
97.10178	1.2
98.09695	18.2
99.04458	9.8
99.08079	2.3
103.03941	6.4
105.04560	0.4
105.07049	2.0
107.08598	4.4
109.02885	5.9
109.10110	2.2
110.09740	0.4
111.08088	1.0
111.84747	0.3
113.09686	0.6
115.03922	0.6
119.08595	1.5
121.06486	0.6
121.10153	2.8
123.08049	0.4
123.11728	0.5
124.11282	1.1
125.06016	0.5
125.09686	0.6
127.03918	17.3
131.08569	1.2
131.92442	0.3
133.10182	1.2
135.11685	1.2
142.12274	15.7
143.08536	0.4
145.04945	2.5
145.10138	0.5
147.11638	0.7
149.13266	4.5
163.06079	0.8
167.14351	1.6
185.15410	0.5
187.05998	0.7
191.07115	0.4
209.08075	0.6
212.89682	0.4
232.53255	0.4
271.08264	0.4
279.23090	0.4
288.26959	0.6
306.27811	3.5
324.28964	16.7
342.30032	19.8
343.30978	0.4
384.31168	0.8
586.39673	1.9
588.38391	0.4
630.38434	1.5
648.39526	100.0
649.29413	0.6
649.39844	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	648.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01866	1.1
55.05516	3.2
56.05038	1.8
57.03438	6.9
58.06591	0.7
65.03952	0.7
67.05504	9.8
68.23429	0.5
69.03427	6.5
69.07064	6.2
69.54579	2.4
70.06590	4.4
71.05009	1.7
72.08151	6.6
73.02918	1.1
79.05491	8.6
81.03413	7.7
81.07056	14.7
83.04971	1.1
83.08638	2.7
84.04492	0.7
84.08143	2.3
85.02903	11.6
85.06551	1.6
85.11223	0.6
86.09729	2.9
91.05471	3.9
92.28822	0.6
93.07039	9.3
95.04972	1.4
95.08598	10.1
97.02894	5.9
97.06520	6.6
98.09687	21.9
99.04455	7.4
99.08077	4.2
101.07128	0.6
103.03936	6.4
105.07066	3.8
107.08600	6.1
109.02869	5.4
109.06606	0.8
109.10168	2.6
110.09729	0.8
111.08095	0.7
113.09676	1.3
115.07572	0.9
119.08591	2.6
120.08134	1.2
121.10119	3.9
123.11694	0.7
124.11307	1.2
125.09613	0.8
127.03912	13.3
128.10735	1.2
129.10263	0.9
131.08566	0.8
133.10152	1.9
135.11699	1.9
137.52599	0.7
142.12265	16.9
142.13348	1.3
145.04987	2.5
145.10143	1.1
146.73869	0.6
147.04483	0.6
147.11726	1.9
149.13290	1.8
151.07565	0.6
156.13841	1.0
161.13263	1.1
174.25964	0.6
182.15828	0.6
187.06064	1.0
209.08081	0.7
306.28027	2.2
324.28937	12.8
324.32458	1.0
342.30005	36.1
343.30539	0.8
384.31305	0.7
443.22913	0.7
487.21732	3.3
586.39496	1.1
605.27600	1.0
648.39514	100.0
649.26721	18.0
649.39374	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	649.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
55.05516	0.7
57.03442	1.5
67.05503	2.3
69.03439	1.3
69.07074	1.2
70.06591	2.0
71.04980	0.4
71.20846	0.5
72.08161	1.5
79.05484	2.4
81.03420	1.1
81.07056	3.0
82.07381	0.4
82.19422	0.3
84.04546	0.5
84.08150	0.7
85.02892	2.1
86.03263	0.4
86.09724	1.6
91.05486	1.0
93.07040	2.0
95.04973	0.7
95.08603	2.6
97.02901	1.2
97.06552	0.9
98.09698	4.0
99.04478	1.7
99.08104	0.8
99.10060	0.6
103.03961	1.2
105.07055	1.1
107.08607	1.3
108.08926	0.5
109.02901	1.0
109.10207	0.6
119.08661	0.5
120.08118	0.7
121.10133	0.3
124.51174	0.3
127.03970	2.2
129.10265	0.6
133.10135	0.7
142.12274	3.2
143.12650	0.7
145.05083	0.5
149.13321	0.5
203.05309	0.9
251.11250	0.7
259.08032	1.3
269.12323	0.6
277.09039	0.7
324.29037	1.9
325.16418	2.3
325.29132	1.7
342.30072	4.3
343.30353	3.7
347.09592	1.6
365.10458	3.8
421.13199	1.4
443.22519	4.1
487.21503	15.0
605.27570	2.5
648.39471	4.7
649.26868	100.0
649.39563	16.4
650.26947	5.9
650.37427	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	650.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	0.7
55.05510	2.4
56.05030	1.2
56.60947	0.3
57.03436	3.7
57.07067	0.3
57.09153	0.3
58.06603	0.6
61.02922	0.6
66.04666	0.3
67.05508	4.2
67.65489	0.3
69.03424	4.7
69.07069	3.3
70.06589	2.6
71.01344	0.4
71.05003	1.2
72.04505	0.6
72.08156	6.3
73.02925	0.9
79.05493	2.5
81.03421	4.4
81.07063	5.5
83.04993	0.8
83.08627	0.9
84.04517	0.4
84.08151	1.1
85.02905	11.7
85.06549	0.3
85.08926	0.4
86.09730	1.5
87.04503	0.4
89.07258	0.3
91.05485	1.2
93.07056	2.0
95.04988	0.4
95.08607	5.2
97.02895	5.2
97.06544	1.7
97.10183	0.4
98.09694	14.5
99.04456	7.9
99.05070	0.5
99.08090	1.9
102.09166	0.4
103.03938	7.4
105.04536	0.4
105.07042	1.1
107.08578	1.9
109.02880	6.4
109.03637	0.4
109.10143	1.6
110.09693	0.4
111.08119	0.4
113.09661	0.8
115.07532	0.3
119.08617	0.8
120.08109	0.5
121.10148	1.0
123.11715	0.4
124.11265	0.6
125.09624	0.5
127.03912	16.4
128.04295	0.3
129.10243	0.4
133.10162	0.8
135.11717	0.8
142.12279	7.4
143.12666	0.3
145.04945	3.2
147.11769	0.4
149.13268	0.7
158.15411	0.5
159.09221	1.1
163.06049	0.6
175.14787	0.4
177.05469	0.4
187.06049	1.0
207.35663	0.3
281.24823	0.5
293.33606	0.3
308.29413	2.0
316.17123	0.3
326.30527	7.3
327.31021	0.5
342.30106	0.5
344.31580	9.0
345.31741	0.5
368.31979	0.4
411.19702	0.4
421.18710	0.4
548.37561	0.3
570.40295	1.6
572.38031	1.0
588.40887	1.6
590.38684	1.1
614.38385	0.4
632.39935	2.7
650.41077	100.0
651.30023	0.4
651.41461	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	654.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.67192	0.3
53.93152	0.3
54.82420	0.3
55.05508	2.7
56.05029	0.5
57.03433	1.2
58.06596	0.4
59.05010	0.5
61.02932	0.4
67.05518	1.7
68.05016	0.5
69.03433	3.5
69.07071	1.5
69.25375	1.2
70.06594	4.2
71.05004	1.1
72.08155	1.0
73.02909	0.8
79.05494	1.2
80.04983	0.4
81.03426	3.6
81.07075	1.8
82.06585	1.4
83.04983	1.3
83.07362	1.4
83.08614	0.3
84.04533	0.3
84.08157	1.7
85.02902	7.4
85.69529	0.3
86.09715	1.0
87.04472	0.6
91.05466	0.6
93.07048	1.3
94.06567	1.8
95.04982	1.1
95.08613	1.0
96.08134	4.3
97.02888	3.0
98.06036	0.4
98.09679	0.6
99.04462	5.6
103.03944	4.3
105.07007	0.5
107.04975	0.4
107.08575	0.5
108.08122	1.8
108.54793	0.3
109.02893	3.1
109.08891	0.9
110.09676	2.5
112.07599	3.0
117.49631	0.3
120.08124	1.1
121.10135	0.5
122.09670	4.4
123.04427	5.6
123.10484	0.4
126.09164	0.8
127.03920	8.2
127.09936	10.6
128.10703	1.0
133.10115	0.5
136.11191	0.5
137.05937	0.3
140.10693	9.9
145.05002	1.0
154.12270	0.9
155.25510	0.4
182.15392	0.6
187.06134	0.5
196.17180	0.3
206.19049	3.6
207.06480	0.4
210.18541	0.6
224.20087	5.9
245.14922	0.3
264.20288	0.3
290.21152	0.5
314.21207	1.4
328.22696	4.5
330.24261	22.0
331.24759	0.9
347.24622	1.3
348.25320	40.0
349.25577	1.4
372.25577	0.5
390.26532	1.9
510.30722	0.7
552.31042	0.6
574.34076	0.4
592.34845	5.2
594.32819	1.9
626.08466	0.4
654.34784	100.0
655.23712	0.8
655.35114	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	654.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01863	1.7
55.05511	3.4
57.03429	5.6
58.02956	1.9
58.06601	3.8
67.05511	8.2
69.03435	4.3
69.07066	7.3
70.06598	3.0
70.36678	2.4
71.05011	2.4
71.13312	0.8
72.08173	4.6
79.05493	4.8
79.05914	1.2
81.03412	4.8
81.07056	13.3
81.15615	0.9
83.04988	1.7
83.08620	1.6
84.08139	57.7
85.02903	8.7
85.06564	1.5
88.07613	1.3
91.05478	28.9
93.07048	4.3
95.05004	1.3
95.08595	10.4
97.02897	5.6
97.06524	5.6
97.10174	2.2
98.09705	1.0
99.04456	6.6
99.08118	4.1
101.89219	1.1
103.03933	6.3
105.07013	5.7
107.08604	4.4
109.02898	3.4
109.10164	3.8
110.09692	5.1
111.08062	1.7
112.11264	1.2
113.09650	2.3
117.07011	19.9
117.07780	1.2
119.08612	2.3
121.10152	2.4
125.09705	1.1
127.03910	10.1
128.10716	33.4
129.06987	4.5
131.08559	27.7
133.10181	1.1
135.11703	2.8
143.08580	3.7
145.04971	2.1
145.10149	3.6
149.13214	1.5
157.10176	2.4
171.11708	1.6
185.13281	1.3
189.99472	0.9
299.23621	1.7
312.26883	9.2
330.27905	33.0
348.28955	89.7
349.29285	4.1
390.30057	1.9
517.73242	1.1
569.29645	1.2
618.36023	3.4
654.30072	3.8
654.38446	100.0
655.28961	1.5
655.38776	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	654.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	1.1
57.03432	8.2
59.05035	1.1
59.89301	0.8
61.02937	0.8
67.05491	4.4
69.03429	17.1
69.07075	2.1
70.06599	2.8
70.14672	1.8
71.05003	1.9
72.04507	1.1
72.08157	7.1
73.02925	0.9
77.31133	0.7
79.05500	1.9
81.03429	1.5
81.07058	6.2
85.02905	16.6
85.03413	1.2
87.04470	7.8
93.07047	2.3
95.08630	4.4
97.02895	11.1
97.06536	3.5
98.09690	12.0
99.04474	1.1
99.08090	2.7
105.04498	0.8
105.07022	1.0
107.08600	2.0
109.02876	1.4
109.10207	1.5
115.03944	5.5
119.08630	1.2
121.10159	2.1
127.03940	1.1
133.04994	2.7
142.12271	6.6
147.11778	0.9
163.30096	0.8
174.06924	1.0
189.09256	1.2
217.23466	1.0
219.10237	3.2
342.30032	7.1
360.26782	1.1
360.31094	16.4
492.35596	1.4
504.35779	2.3
515.34625	1.0
522.36163	10.1
636.39923	2.4
654.40552	100.0
655.40979	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	655.2599
Annotation	PdOEPK
Peak:m/z	Relative Intensity
55.01843	0.3
57.03437	1.6
67.05502	0.4
69.03432	4.2
69.40336	1.0
71.04966	0.2
72.08144	0.8
73.02899	0.4
73.95971	0.2
79.05502	0.3
81.03408	0.5
81.07058	0.6
85.02906	4.4
86.03258	0.2
87.04469	2.8
91.05466	0.5
95.08609	0.5
96.08916	0.3
97.02330	0.4
97.02894	4.3
98.09689	1.3
109.02867	0.5
115.03927	2.8
115.05468	0.5
117.07030	0.3
118.40812	0.2
123.04396	0.4
127.03938	0.6
128.06194	0.8
129.07008	3.7
131.04926	0.8
131.08563	4.6
133.04979	2.2
137.06003	1.3
139.03886	0.3
141.06982	3.3
142.12270	0.5
143.04962	0.4
143.08568	0.8
144.05707	0.4
145.04968	0.3
145.06485	0.6
146.07263	0.4
151.03920	0.3
151.07547	0.7
157.06483	4.6
158.07275	2.3
159.08069	4.8
160.05183	0.7
161.06021	0.4
161.09610	0.5
163.07489	0.3
169.06462	3.0
170.07271	1.0
171.08055	1.0
173.05959	0.5
174.06758	9.9
175.07536	3.3
177.09091	0.3
179.05388	0.4
186.06744	2.1
187.07393	0.4
188.08275	0.8
189.09105	20.6
190.09364	0.6
191.10733	1.5
191.12154	0.2
201.09114	7.5
203.10693	3.2
207.10185	0.5
219.10161	100.0
220.10477	2.4
221.11746	1.6
237.11198	2.5
295.10168	0.5
309.10385	0.2
327.12354	0.4
342.29904	0.7
343.30347	0.5
360.31171	1.4
361.31223	0.8
522.36127	0.5
523.36548	0.4
612.31543	0.3
648.51251	0.2
654.40350	4.2
655.29962	0.4
655.40894	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	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64046	0.4
67.05485	0.6
69.09805	3.3
70.05286	0.5
75.04473	0.7
79.05476	0.8
91.05494	0.5
93.07056	0.7
94.63809	0.5
95.08603	0.7
95.38866	0.5
103.15470	0.6
105.06961	0.5
107.08524	0.6
112.89447	0.5
115.94908	0.5
119.08585	0.8
136.26787	0.6
215.94286	0.6
342.56833	0.6
375.29944	0.8
383.17273	0.5
391.19138	1.5
392.19824	1.1
393.20737	0.7
405.17157	2.3
406.21701	0.9
407.22409	5.1
408.23120	0.9
419.18066	3.5
420.19308	1.6
421.19815	1.0
432.19220	0.6
433.20764	5.2
434.21103	4.6
435.16748	0.6
435.21933	7.9
436.22409	1.0
447.17081	1.3
447.22107	2.0
448.18109	1.3
449.19443	1.8
459.21188	0.8
461.19498	1.5
462.20367	5.1
463.21066	3.8
475.21130	1.6
476.22058	1.7
477.22827	1.1
489.22675	0.9
493.23541	0.6
495.23938	1.6
507.24231	0.9
508.24609	2.4
508.32355	0.6
509.25516	1.0
521.25739	11.9
522.25720	0.8
534.22491	0.8
549.16907	1.0
549.24957	16.4
550.25183	0.6
553.24298	0.8
563.26569	3.0
564.27228	0.9
581.27576	3.5
595.29254	11.7
609.26910	10.5
610.27325	1.0
623.28192	1.5
655.30908	100.0
656.31421	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	656.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01870	2.0
55.05487	2.7
57.03444	3.6
61.02925	4.4
65.03936	1.2
67.05503	13.9
69.03435	2.9
69.07073	3.3
70.06608	6.4
70.06934	1.1
71.05006	2.1
72.08168	2.2
73.02896	1.1
79.05486	9.5
81.03417	12.0
81.06577	1.3
81.07052	19.3
83.04984	3.0
83.08595	2.2
84.08152	2.5
85.02912	10.5
85.06546	1.9
85.48792	1.0
86.09706	2.8
86.37196	1.0
91.03944	3.3
91.05474	7.1
93.07048	14.4
95.01334	1.7
95.04984	6.5
95.08613	10.0
97.02886	3.9
97.06550	3.6
98.09650	1.4
98.23456	2.1
99.04453	2.7
103.03934	1.1
104.26540	1.0
105.07030	4.2
107.04952	9.5
107.08578	6.7
109.02894	3.1
109.06526	2.1
109.10153	2.0
111.08082	2.2
117.07030	5.6
118.86196	1.1
119.04951	4.8
119.08569	3.2
120.08133	2.3
121.06526	4.1
121.10136	2.1
123.04459	2.3
123.08073	6.1
127.03941	6.9
128.10718	4.8
129.10278	1.4
131.08560	5.0
133.06523	1.4
133.10144	4.1
135.08008	1.2
135.11678	9.3
140.10603	1.3
141.07001	2.2
145.05000	2.3
145.06485	5.4
145.10132	3.1
147.04425	12.3
149.09627	1.3
149.13255	5.4
158.39349	1.3
159.08096	1.6
159.11708	8.1
163.06032	2.6
169.10121	3.2
171.11769	1.3
177.12770	5.4
187.11214	7.3
192.91165	1.1
195.13791	3.8
205.12238	2.3
220.49992	1.1
223.13258	3.1
241.14334	7.6
279.12930	2.4
279.15894	32.1
297.16959	100.0
298.17264	2.4
307.66818	1.3
315.25500	1.2
320.17310	1.0
330.24088	1.6
332.25690	3.1
348.25278	3.2
349.15671	3.0
350.26947	4.7
373.47632	1.3
441.21103	2.8
459.22275	9.3
653.84918	1.1
656.35242	23.3
657.33820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
57.03447	2.2
60.00494	1.4
61.02903	2.0
69.03433	11.0
69.07075	3.1
69.50567	5.7
69.91710	1.7
71.04987	5.2
73.02915	4.2
81.03421	17.7
81.07056	5.8
83.04964	1.8
85.02399	3.4
85.02903	55.9
91.05494	2.1
93.07050	4.1
95.08627	7.8
97.02894	35.3
98.22743	3.1
99.04456	45.3
103.03944	76.3
105.07033	13.6
105.46569	1.4
107.08601	3.4
109.02882	26.7
109.10165	4.5
111.49631	1.3
117.07008	2.8
119.08562	4.1
121.10163	3.1
122.60506	1.5
127.03918	99.6
127.65019	1.4
129.07005	2.6
131.08565	2.4
133.10101	3.1
142.07118	1.5
143.08577	8.9
145.04961	44.3
145.10129	6.7
147.11697	6.4
151.25688	1.4
157.10147	6.4
159.11673	9.4
161.13286	5.2
163.06004	35.0
163.07318	3.1
171.11662	3.2
173.13400	2.4
183.11678	1.8
185.13268	6.9
187.05971	4.5
187.14832	2.8
199.14745	7.9
205.12267	2.8
213.16344	12.7
231.13829	2.5
239.17873	2.1
241.19507	87.8
242.19772	3.4
243.21033	7.9
253.07028	1.8
259.20618	7.8
269.19058	20.9
271.08047	10.2
287.20041	100.0
288.20377	4.8
289.09216	8.0
307.10309	9.2
315.19531	97.6
333.20578	23.9
349.21692	2.1
395.22351	2.6
511.26843	3.3
521.24744	1.9
539.26288	4.1
557.27130	5.1
567.25543	2.6
575.28235	5.6
585.26257	2.8
603.28186	4.9
621.28888	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	656.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.2
56.05033	0.8
57.05819	0.3
57.87113	0.3
68.05007	0.4
70.06593	100.0
71.06906	0.7
72.08156	26.3
73.08501	0.3
82.06570	0.6
84.04508	3.5
84.08131	2.0
85.02898	0.7
85.08547	0.3
86.09703	1.4
89.93200	0.3
90.05563	0.4
91.05494	1.1
92.05796	0.4
98.06030	0.5
100.07607	0.8
102.05544	6.3
110.06044	1.1
110.07149	1.0
115.08727	0.6
116.07109	2.5
119.04964	0.5
120.08111	1.1
127.08681	0.5
128.07072	1.0
129.10249	1.3
136.07573	4.5
137.07935	1.2
141.10167	0.4
143.11813	2.6
149.32124	0.3
152.63106	0.3
153.10295	0.5
155.08157	5.0
156.10249	0.4
161.09195	3.5
167.89145	0.3
169.13361	50.5
170.13693	1.0
171.11279	4.1
173.09209	10.9
183.07660	3.2
191.92212	0.3
197.12857	28.4
198.13269	0.5
199.10793	1.0
201.08702	7.5
210.07294	0.3
214.15620	0.6
215.13828	0.4
227.10321	0.8
254.15036	0.8
255.13396	0.3
259.19693	0.4
260.16034	1.1
268.16562	9.0
269.16846	0.4
270.14578	0.4
272.12436	0.3
282.14526	1.3
296.16174	0.5
296.19644	0.9
298.14093	0.6
300.15472	3.1
326.17017	0.9
329.14984	0.5
330.15268	1.4
339.20285	0.6
354.20203	0.9
357.21326	62.4
358.21567	2.7
367.23428	0.7
379.19855	0.7
396.70197	0.3
397.20837	2.5
450.27161	0.8
456.28091	2.5
468.23914	2.0
478.26431	1.7
496.27737	2.8
539.32129	0.4
549.29938	0.9
567.31384	4.2
638.34863	0.5
656.37085	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	656.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01852	0.4
55.05510	4.2
56.05022	1.6
57.03424	1.3
58.06595	2.0
60.23840	0.3
61.02908	0.4
63.99591	0.3
64.09187	0.4
67.05502	2.1
68.05025	0.5
69.03429	4.1
69.07059	1.4
69.27720	1.9
70.06590	12.9
71.04989	1.4
71.38983	0.3
72.08146	1.3
73.02909	1.0
76.68428	0.3
79.05485	1.6
81.03417	4.9
81.05797	0.4
81.07063	3.1
82.06570	3.6
83.04982	1.9
84.08147	2.1
85.02910	8.4
86.09709	1.9
87.04470	0.4
91.05484	1.3
93.07042	1.8
94.06579	0.4
95.04957	1.0
95.07332	0.9
95.08604	2.5
96.08125	4.5
97.02894	3.7
97.06542	2.8
97.08376	0.5
97.08917	2.9
98.09679	1.3
98.22649	0.7
99.04453	6.2
103.03947	4.8
105.04492	0.3
105.07042	0.7
107.04950	0.8
107.08616	0.6
108.08100	1.7
109.02879	4.0
109.06532	0.6
109.10159	1.1
110.07155	0.5
110.09679	20.8
111.04381	0.4
114.09158	3.2
115.03950	0.4
118.96244	0.4
120.08114	0.6
121.06448	0.4
123.04433	11.5
124.11227	1.0
127.03910	9.7
128.10716	81.0
129.10220	0.7
129.11063	0.8
131.08571	0.6
135.11714	0.8
138.12814	0.7
142.12199	0.4
145.04973	1.7
149.05988	0.6
152.14380	0.7
163.07530	0.8
166.15778	0.4
187.05875	0.6
194.19055	1.0
207.06537	0.4
208.20596	6.6
250.18060	0.5
314.24716	0.7
331.25024	1.6
332.25818	38.3
333.26276	1.6
339.00677	0.3
350.26880	12.8
351.27301	0.6
374.26913	1.4
391.09467	0.4
576.34961	3.3
578.33075	0.6
594.36395	3.1
638.35608	1.9
656.36395	100.0
657.36841	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	656.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01875	1.2
55.05514	2.8
56.05032	1.8
57.03435	4.7
58.06598	0.7
59.89085	0.5
61.02923	0.9
67.05514	9.2
69.03432	6.3
69.07074	5.6
69.27256	3.1
70.06594	1.3
71.05003	2.4
72.04526	1.2
72.08147	4.9
73.02930	1.0
73.83386	0.5
79.05500	8.9
81.03423	7.3
81.07059	8.2
83.04990	1.4
85.02910	12.3
85.06544	1.1
85.08932	0.6
86.09672	0.6
87.04504	0.8
91.05483	8.8
93.07047	6.7
95.04976	1.5
95.08614	6.7
97.02904	7.6
97.06527	5.9
98.09694	27.1
99.04446	7.7
99.08082	6.2
102.09168	0.7
103.03943	7.0
104.03624	0.5
105.07034	5.6
107.08607	4.6
109.02892	5.3
109.10161	2.8
113.09657	2.0
117.07053	1.8
119.08581	4.7
121.06488	0.6
121.10153	3.0
124.11224	1.0
127.03916	13.2
129.06995	1.1
131.08551	2.9
133.10127	4.0
135.08080	0.6
135.11703	1.4
142.12285	16.6
143.08585	0.7
145.04994	2.3
145.10143	2.3
146.19095	0.5
147.11720	1.7
149.13297	0.9
156.13846	0.8
159.11769	2.3
161.13295	1.0
171.11745	0.8
173.13301	0.8
175.14795	1.2
182.78815	0.6
187.06070	1.1
187.14922	0.7
191.14355	0.6
199.14682	0.6
240.12689	1.6
267.11584	0.8
314.28412	0.9
332.29462	9.7
339.09750	1.0
347.09811	0.6
350.30539	47.1
351.30798	1.5
506.90399	0.6
594.39648	1.1
656.39978	100.0
657.30566	5.1
657.40442	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	658.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64846	0.4
52.53261	0.4
55.05503	0.5
57.03435	2.9
58.06598	1.1
59.05034	0.6
67.05503	1.1
69.03429	8.7
69.39388	1.9
70.06591	6.3
71.05028	0.5
72.08193	0.5
73.02895	0.9
81.07062	0.5
82.06599	1.0
84.08149	3.0
85.02903	7.4
86.09713	0.5
87.04479	4.0
88.07631	4.6
95.04958	0.4
95.08624	0.8
96.08137	3.3
97.02888	4.9
98.09709	1.1
109.02880	0.5
109.10186	0.4
110.09677	7.3
111.10465	3.2
111.98310	0.4
112.11268	3.0
115.03925	2.8
115.04600	0.3
123.04426	7.9
123.05258	0.5
124.11231	2.9
125.12057	0.5
128.10762	2.4
133.04964	0.9
138.12830	0.9
148.09042	0.4
152.14381	0.5
166.15948	0.5
180.17528	0.6
194.19118	0.6
208.20605	1.0
222.22156	9.6
240.23260	1.1
254.04436	0.5
318.24298	8.5
330.24402	0.4
345.26779	1.0
346.27383	16.4
347.27832	0.8
362.26953	0.7
364.28445	15.9
365.29150	0.9
419.74576	0.5
508.32614	3.4
524.32068	0.9
526.33771	7.4
623.26031	0.4
640.36798	7.9
658.37952	100.0
659.39996	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	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03336	0.5
56.05037	1.0
57.03438	3.3
58.06599	5.7
67.05518	1.4
69.03426	9.2
69.39516	2.8
70.06592	2.2
71.07385	1.4
72.08166	1.9
73.02924	1.3
73.85013	0.6
74.81635	0.6
81.07037	0.9
84.08138	5.7
85.02900	8.5
87.04466	3.6
92.81345	0.6
95.08648	0.7
96.08122	2.6
97.02897	6.2
97.08935	0.9
99.31728	0.7
110.09680	6.2
111.10460	3.1
112.11253	1.3
115.03959	3.2
123.04421	9.0
124.11227	1.7
128.10706	11.1
137.06007	0.7
138.12766	1.1
147.04433	0.8
160.71378	0.6
165.03531	0.7
180.17429	0.7
208.20621	1.1
222.22183	7.8
240.23212	1.7
264.11447	0.7
345.26660	0.8
346.27408	16.7
349.88522	0.7
364.28461	15.3
508.32675	3.5
526.33673	9.8
640.36774	8.8
658.37946	100.0
659.38251	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	658.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
56.05029	2.7
56.83882	0.7
57.05788	0.6
67.05501	1.1
69.07069	8.4
70.06234	1.1
70.06593	15.1
71.06944	0.8
72.08157	28.5
74.06071	0.9
76.14887	0.6
79.05490	0.6
83.67608	0.6
84.04506	3.0
84.08145	47.5
85.02896	1.3
85.08469	1.2
86.09708	100.0
87.05549	1.0
87.10054	1.4
88.03998	3.7
90.69503	0.7
93.07043	0.7
96.08118	1.8
98.02440	1.5
98.09716	0.7
101.10795	2.7
102.05560	4.3
110.07159	1.7
113.10806	0.7
114.09160	1.7
120.08144	0.8
129.10245	52.9
130.08647	8.3
130.10550	1.0
133.06133	0.9
138.09209	0.7
139.08751	0.8
141.10226	5.7
147.11278	6.8
155.08214	0.8
156.10205	7.0
169.09769	1.5
171.11401	0.9
183.11333	3.1
183.14996	1.1
184.09731	1.1
185.12834	0.9
186.12378	5.3
187.10788	1.7
187.14456	0.8
199.18112	2.6
201.12340	53.9
202.12669	0.6
203.13988	0.8
204.13441	17.2
213.12411	0.9
227.17477	1.4
228.13408	1.1
228.17056	7.0
229.11839	21.9
281.17487	1.4
299.21207	0.7
313.18433	0.9
314.20514	0.7
317.21826	11.9
328.18607	3.9
331.23413	3.8
342.20261	13.4
384.29214	0.7
399.22516	1.4
412.83661	0.6
430.30386	6.6
455.28723	2.9
456.28064	3.5
543.39099	1.5
551.35663	2.3
569.36578	8.0
658.41418	87.5
659.41992	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	659.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	15.1
71.95222	1.1
83.30782	0.5
84.26872	0.7
94.55050	0.7
97.96796	5.3
98.97559	1.7
102.86771	0.6
107.08558	0.7
109.09863	0.6
110.97520	3.1
115.97831	3.5
123.98313	0.8
128.98579	3.6
133.98795	0.9
141.99313	0.8
143.00113	1.4
146.99585	2.4
151.00668	0.6
155.00099	0.9
155.03722	0.8
160.00383	0.7
167.03749	0.9
169.01712	1.2
171.03273	1.9
173.01180	0.8
181.01782	1.1
183.03252	0.9
185.01280	0.9
185.04814	2.7
185.98344	1.0
187.02681	0.9
189.04376	1.3
195.06914	1.0
198.05542	2.2
199.02753	1.7
199.06442	3.1
202.05084	0.9
203.06027	3.0
205.07501	1.4
211.06479	0.9
213.04346	1.2
213.07957	5.2
216.02875	0.8
216.06775	0.7
217.07417	3.0
220.81964	0.6
223.10077	3.5
224.07109	1.3
225.07996	1.2
226.08751	1.6
227.05861	1.6
227.09544	0.7
229.07246	0.9
231.05399	0.7
231.09131	3.7
235.10002	0.7
237.04338	1.5
237.07883	1.3
239.09547	7.3
241.11107	42.9
242.08258	4.7
243.08995	1.1
245.06984	0.7
245.10593	0.8
249.07834	0.9
251.05927	0.6
251.09546	1.7
253.11124	3.2
255.05525	0.7
255.09006	2.1
257.10620	4.0
259.12167	39.2
260.09244	1.5
264.12747	4.0
267.09027	3.2
269.10605	6.2
271.12140	2.1
273.10226	0.8
279.09036	3.4
280.09766	3.9
281.10379	0.9
282.13831	1.7
285.09964	1.5
287.11578	2.3
297.10080	6.6
298.10788	6.6
305.14334	0.8
307.15802	2.8
315.11145	1.0
316.08392	0.7
316.11859	3.4
321.12271	1.1
325.16885	1.0
331.15778	14.7
341.89050	0.6
349.16840	83.1
350.17111	2.1
367.17911	100.0
368.18237	3.1
372.18372	2.8
385.19113	4.9
390.19501	17.5
452.97510	0.7
641.36859	0.8
659.38226	73.9
660.38977	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.4
55.05506	33.6
57.03440	8.1
57.07059	8.2
63.49800	3.7
65.03951	3.7
67.05504	66.3
69.07066	30.3
69.13371	18.5
79.05488	55.5
81.07052	65.8
83.04964	3.6
83.08615	19.1
87.04498	16.2
91.05475	56.9
93.07036	74.4
95.04940	8.0
95.08596	59.9
97.06529	4.8
97.08479	3.3
97.10161	5.9
100.37869	3.7
105.07027	57.9
107.08580	44.1
109.10181	18.7
109.10793	3.2
117.07021	26.1
118.76814	3.4
119.08578	43.9
121.10145	32.5
123.11728	5.6
129.06995	21.1
131.08546	34.0
133.10120	33.6
134.96027	3.7
135.11684	17.7
137.13235	3.9
141.06917	6.2
143.08533	20.8
145.10126	43.1
147.11667	22.9
149.13190	5.6
155.08530	12.6
157.10095	27.3
159.11673	24.6
161.13234	13.5
163.14859	4.0
167.08569	7.6
169.10187	16.9
171.11655	26.4
172.12419	3.9
173.13310	15.8
176.15703	3.3
181.10095	10.0
183.11664	18.8
185.13211	13.1
187.14803	7.9
189.16365	5.8
193.10129	3.7
193.58362	3.7
195.11732	12.3
197.13228	16.2
199.14809	10.6
201.16295	4.7
202.46237	4.1
207.11572	4.1
209.13275	7.6
211.14775	8.9
212.74651	3.7
213.16516	4.3
223.14850	6.1
225.16351	8.9
227.18091	5.2
235.14629	4.1
237.16351	7.2
239.17993	5.4
257.18973	7.5
259.20541	9.1
275.20010	4.8
306.52362	4.5
309.21671	4.5
333.24390	5.3
335.25980	4.5
351.26761	4.1
365.28473	4.6
381.72714	3.1
447.32199	4.6
487.33511	4.2
517.40332	10.1
539.37457	4.9
591.43726	6.0
609.45123	100.0
610.45258	9.2
662.44897	3.7
690.48462	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51498	2.6
53.03941	5.8
55.01870	6.3
55.05510	42.8
57.03432	18.2
57.07071	5.0
65.03928	4.7
65.45058	2.4
67.05505	90.5
69.07066	33.2
69.87111	9.2
71.04994	4.0
78.39137	2.6
79.05495	79.0
81.07056	100.0
83.08606	15.8
85.06543	5.0
91.05480	74.3
91.94499	3.0
93.07046	90.7
95.04986	15.8
95.08605	68.1
97.06553	8.0
97.10168	15.5
103.05494	3.2
105.04550	6.0
105.07030	67.5
107.04947	4.7
107.08599	46.7
109.06519	6.0
109.10173	25.2
111.08067	3.9
115.05518	3.0
117.07026	30.8
119.08577	41.7
121.06474	3.6
121.10151	25.3
123.08102	3.2
123.11716	5.8
125.09636	9.0
128.06216	3.4
129.07005	13.2
130.07843	2.6
131.08568	31.0
133.10127	25.4
135.08113	4.1
135.11702	17.9
137.09637	3.2
139.76999	2.9
141.06975	3.6
142.07832	3.2
143.08559	14.0
145.10120	33.4
147.11687	19.9
149.09624	6.7
149.13303	8.7
155.08556	5.0
157.10162	8.6
159.11697	26.0
161.13309	7.3
163.11186	7.9
169.10150	4.7
170.66946	3.2
171.10170	3.3
171.11673	9.2
173.13243	13.3
183.11661	5.9
185.13287	11.7
187.14825	7.6
189.11256	5.7
197.13319	3.4
199.14850	3.7
203.14348	8.9
205.15794	3.7
219.17516	5.6
227.12785	16.2
239.18057	7.7
257.18933	18.2
259.20453	5.1
261.22092	3.8
275.20038	38.5
317.24847	4.1
333.24435	3.6
335.25809	83.6
349.23691	24.9
400.61798	3.0
409.69659	3.1
609.45233	21.9
667.70459	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.7
53.00295	0.8
53.03948	3.9
55.01868	4.3
55.05511	31.4
55.59204	0.6
57.03437	15.8
57.07066	1.9
63.86128	0.6
65.03944	7.0
67.05504	100.0
68.05845	1.5
69.03433	4.3
69.07069	28.7
71.05006	4.4
71.37403	0.8
77.03912	3.3
79.05494	78.4
80.05827	1.1
81.03421	3.2
81.07056	89.3
82.07380	1.1
83.04980	8.8
83.08620	10.7
84.94527	0.6
85.06547	3.0
87.04478	1.1
90.86646	0.6
91.05479	65.9
92.05819	0.9
93.07043	82.1
94.07366	1.4
95.04973	17.7
95.08607	52.5
96.08922	1.2
97.06528	8.6
97.10165	3.5
99.08086	2.0
103.05459	2.6
105.04527	5.8
105.07030	43.4
106.07358	0.9
107.04978	4.7
107.08592	36.2
109.06528	6.0
109.10155	16.6
109.42526	0.6
111.08067	3.1
115.05426	2.3
116.06267	1.0
117.07019	21.3
119.06033	1.1
119.08583	28.2
121.06532	3.2
121.09264	1.2
121.10139	21.3
123.08058	2.8
123.11712	3.3
125.09644	1.6
128.06244	1.2
129.07004	6.1
130.07800	1.4
131.08575	20.3
133.06511	1.2
133.10123	19.3
134.10452	0.7
135.08072	4.0
135.10645	0.7
135.11682	13.5
137.09612	2.2
139.11110	0.8
141.06970	1.4
142.07787	1.2
143.08563	5.3
144.09358	0.7
145.10133	14.9
147.08081	0.9
147.11684	9.7
149.09610	4.6
149.13243	8.3
151.11223	1.4
155.08580	1.3
157.10124	4.0
159.11691	10.4
161.13243	4.0
163.11165	4.0
163.14799	1.3
163.29652	0.7
165.12732	1.4
167.08585	0.8
167.45273	0.7
169.10107	1.9
171.11705	2.9
173.13258	5.1
175.11234	0.9
175.14783	1.8
177.12715	1.7
179.14301	0.9
181.12082	0.7
183.11763	1.3
185.13203	1.8
187.14790	2.3
195.13779	2.5
197.13200	0.9
199.14758	1.3
201.16354	1.0
203.14400	0.8
217.15800	1.5
219.17509	0.9
227.12831	0.9
229.19498	1.3
239.17896	1.6
243.21008	1.0
247.20738	1.3
251.16118	0.7
255.15942	6.0
257.18994	3.4
259.20535	1.4
261.22260	3.9
267.15836	1.1
269.17438	8.7
275.20059	14.3
277.21735	0.8
291.19385	0.6
293.21057	0.9
309.20465	1.2
313.21594	0.7
317.24609	1.7
331.22604	0.9
335.25787	34.4
336.26059	1.9
349.19876	0.9
349.23734	8.1
351.95810	0.8
367.24725	1.7
369.41595	0.6
414.87314	0.7
418.91495	0.7
453.29202	0.7
515.37341	7.7
517.69940	0.7
529.38879	36.9
530.38605	3.0
569.41693	2.7
609.45294	6.8
627.45294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.0
55.01867	12.5
55.05513	53.6
57.03424	9.6
57.07085	3.8
65.03929	3.4
67.05504	100.0
69.03438	4.2
69.07068	45.6
70.63264	4.7
71.04955	5.6
79.05495	84.3
81.07059	91.8
83.04979	9.8
83.08626	31.3
85.06554	3.7
87.04471	6.0
91.05479	60.7
93.07049	76.8
95.04967	15.5
95.08603	61.3
96.34539	2.5
97.06532	14.8
97.10175	45.7
99.08082	4.4
105.04483	3.5
105.07024	45.6
107.04963	4.4
107.08595	83.4
109.06509	6.9
109.10162	29.8
111.08054	5.6
117.07019	18.3
119.08589	31.2
121.10128	27.1
123.08103	3.8
123.11720	8.7
125.09638	50.9
131.08551	24.9
133.10126	28.0
133.76927	2.7
135.08064	10.4
135.11661	21.5
143.08531	3.8
145.10143	25.3
147.11676	17.2
149.09575	15.3
149.13269	10.4
153.09151	4.2
157.10139	5.1
159.11720	13.5
161.13268	8.3
163.11107	6.0
171.10239	4.5
171.11674	4.1
173.13271	10.9
175.14796	6.1
183.11685	3.2
185.13322	3.7
187.14793	4.4
189.11234	29.7
227.12819	61.5
239.17897	4.6
243.21092	3.7
257.19049	8.6
261.22202	18.4
275.20096	36.7
277.21561	3.0
293.21008	3.6
317.24777	3.9
331.22400	3.5
335.25839	77.2
336.26038	3.2
349.23740	44.4
431.31351	8.4
505.35382	29.8
506.35275	3.8
513.39435	6.5
581.31964	3.4
609.45154	52.3
627.45874	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	663.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	3.7
70.06603	7.1
70.08270	3.3
70.08588	3.9
84.96037	5.0
90.21707	2.1
126.54369	2.4
136.06215	4.9
153.76665	2.0
157.11932	2.2
209.47397	2.2
241.82375	2.4
245.50665	1.8
250.06435	2.1
321.00800	4.1
335.02292	3.4
339.01715	5.0
341.03354	8.3
349.00687	1.9
351.01822	5.0
353.03397	7.6
355.04871	3.2
357.02795	21.9
359.04297	4.7
363.01630	16.9
369.02792	13.0
371.04306	16.5
375.03943	8.3
381.02795	100.0
382.03302	3.5
383.04437	8.9
387.03983	21.5
389.05588	4.7
393.02982	8.5
395.04462	7.8
399.03860	84.8
400.04004	2.9
401.05524	8.3
404.04568	4.6
405.04855	3.6
411.03860	41.7
413.05405	6.9
417.04733	6.0
423.03873	13.7
429.04907	32.2
431.06479	3.8
441.04892	30.9
442.05478	2.6
453.04846	6.8
459.05789	9.3
471.06097	7.1
483.06003	16.5
501.06961	15.7
513.07037	94.1
514.06958	3.7
519.08112	5.8
531.08105	23.3
543.08252	16.9
554.09979	4.6
561.09204	3.4
603.10138	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	663.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.7
67.50815	3.3
70.06576	6.7
84.96029	4.2
131.56715	3.3
136.06252	3.1
144.26440	3.6
335.02426	7.5
341.03256	9.1
345.03067	4.2
351.01736	7.0
353.03369	14.1
355.04959	6.1
357.02734	48.9
363.01932	12.0
367.04636	10.8
369.02899	19.9
371.04395	47.1
375.03864	12.4
381.02795	100.0
383.04266	16.5
385.05908	7.4
387.03848	41.7
389.05362	11.0
393.02667	23.6
395.04300	13.9
399.03812	88.2
401.05362	11.9
404.04254	5.4
405.04919	5.1
411.03833	80.1
413.05457	19.7
417.04929	18.0
423.03812	24.6
429.04874	39.3
431.06119	11.7
434.05145	5.3
435.03873	6.0
441.04898	69.0
447.05441	4.5
453.04947	31.3
459.05899	22.0
464.06537	5.0
471.06052	47.1
483.06024	25.9
489.08023	4.5
501.06970	18.5
513.07062	78.8
531.08044	34.4
543.08057	98.1
544.08331	4.7
554.09344	4.2
561.08728	4.6
573.09186	4.6
603.10101	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
67.05518	0.5
70.06610	0.5
70.23460	0.7
70.23777	0.7
81.07068	1.0
91.05513	0.5
105.07080	0.5
123.11671	0.4
127.34542	0.4
131.08540	0.5
134.78812	0.5
149.02399	3.6
149.03438	0.8
150.02678	0.9
193.05048	1.7
194.05460	0.6
197.13718	0.5
202.64595	0.6
203.05305	0.5
208.45418	0.4
238.49648	0.4
243.08498	0.8
321.27878	0.5
339.28873	0.7
371.16113	0.5
386.09500	0.9
404.10818	0.6
413.18030	0.8
429.11737	0.8
430.12329	1.8
445.25922	2.3
473.14862	0.8
474.14728	2.1
501.28204	2.4
635.33612	0.8
663.33459	100.0
664.33771	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1168
Annotation	Nicotinamide adenine dinucleotide (NAD)
Peak:m/z	Relative Intensity
51.78318	0.5
52.84428	0.6
53.80670	0.5
54.67207	0.5
70.19119	0.9
75.18658	0.5
86.36127	0.5
97.02890	9.1
119.03548	0.8
123.05567	1.4
136.06184	100.0
137.04567	0.9
137.06551	1.3
187.95145	0.6
232.08264	8.1
250.09482	1.0
330.05984	0.7
348.07074	3.3
381.16705	0.6
428.03699	20.3
444.09146	1.7
524.05896	6.4
542.06763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45654	0.3
51.02369	0.5
53.03939	0.6
55.01871	4.1
55.24398	0.3
57.03447	0.5
65.03937	2.8
67.05502	1.9
69.03419	1.1
69.07037	0.4
70.06575	0.9
70.61951	0.6
71.13723	0.4
72.08136	0.7
75.04472	1.1
77.03931	0.8
78.04689	0.8
79.05492	2.9
81.03405	0.8
81.07039	1.0
82.04182	0.3
83.08623	0.3
84.08135	0.5
85.02914	2.9
85.23788	0.4
86.09713	0.7
87.26698	0.3
90.04693	0.4
91.05472	4.8
93.03403	4.2
93.07063	2.0
95.04973	2.6
95.08603	0.8
97.02937	0.4
97.06519	1.2
98.09666	0.5
99.04451	0.6
103.03951	1.0
103.05465	17.4
105.03404	0.7
105.04541	0.8
105.07029	5.4
106.04171	7.4
107.04958	6.0
107.08581	1.0
108.02112	0.4
109.06509	0.5
109.10190	0.5
110.03658	0.9
111.04418	1.0
115.05460	2.7
117.07006	1.4
118.04162	4.9
119.04955	1.7
120.05729	0.8
121.06498	8.1
123.04416	1.6
124.05215	0.9
125.05981	3.1
127.03918	1.4
128.06201	0.5
129.07021	1.0
130.04117	1.0
131.04927	18.9
131.08543	1.4
132.05733	0.8
133.02846	1.7
133.06493	4.8
134.03606	1.1
135.04424	1.3
135.08020	1.6
136.06165	0.6
137.05945	1.6
138.03079	0.7
139.03896	0.4
139.07559	1.1
140.04672	0.5
141.07010	0.7
143.04965	0.4
143.06027	0.7
144.05685	1.6
145.02805	0.4
145.06467	2.6
146.03632	1.3
147.04425	1.4
148.05182	10.6
149.05978	14.2
151.03940	0.5
151.07593	0.7
152.04671	0.4
152.08336	0.5
153.05464	3.0
153.09090	2.9
155.05968	0.4
155.07068	0.6
156.05699	1.0
157.06444	0.8
158.07242	0.9
159.04381	0.7
159.08054	2.3
159.11691	0.4
161.05980	7.4
163.03929	2.0
163.07538	19.6
164.07854	0.6
166.06265	0.5
167.07025	13.7
168.07484	0.3
169.06445	0.5
171.06531	2.0
171.07834	0.5
173.06000	3.7
174.06662	1.0
175.07515	0.8
176.04706	2.5
177.05464	9.3
178.06070	0.4
179.07033	0.9
181.04955	35.3
181.08542	6.3
182.05247	0.7
185.05951	0.4
186.06754	0.5
187.07535	3.2
188.08325	0.7
189.07109	0.5
189.09044	1.1
190.06207	1.1
191.07024	100.0
192.07382	3.1
193.08592	5.7
202.06238	0.7
203.06926	0.4
204.07805	0.6
205.08562	4.7
207.06314	0.4
207.08092	0.5
209.08084	39.0
210.08397	0.9
217.08531	3.2
217.29395	0.3
218.07368	0.5
219.08058	1.3
219.10201	2.7
221.07904	0.7
229.08606	0.7
231.08078	0.9
233.05791	0.5
233.09717	0.5
233.11765	0.5
234.06857	0.4
235.07570	0.8
235.09700	1.1
236.08307	0.5
237.09148	0.4
240.83778	0.5
247.07431	1.1
247.09651	3.3
248.08308	1.0
249.09116	0.7
249.11288	3.6
259.07645	0.5
262.09753	0.3
263.06995	0.7
263.10638	1.0
264.07724	0.8
265.10764	3.2
269.07974	0.5
270.67526	0.4
275.07089	1.0
276.07843	0.5
277.08569	1.3
278.09396	0.5
279.10022	1.3
282.08945	0.5
291.10086	1.5
292.07150	0.6
293.07986	1.5
294.08890	0.4
295.09555	0.6
305.08270	0.5
307.09607	1.6
308.10330	0.6
309.11032	0.6
311.12723	0.4
315.08597	2.3
319.09729	1.1
323.09134	0.5
323.12778	0.5
325.10529	0.5
327.11963	0.7
330.10922	3.7
331.15045	0.4
337.10687	1.2
339.12247	1.2
340.28580	0.7
341.13760	0.5
351.12207	1.5
353.10126	0.8
355.11572	0.8
358.29535	1.4
359.14825	5.3
368.12601	1.0
369.13345	2.5
371.14908	1.8
383.14850	12.2
384.15021	0.5
387.14325	4.9
401.15939	6.9
419.17041	11.5
420.17279	0.7
427.17532	5.6
439.22995	0.4
440.23404	0.5
457.18335	0.5
501.23038	1.0
502.23215	3.4
627.06653	0.4
646.37677	0.7
664.28436	1.4
664.39404	4.7
665.29211	0.8
692.41357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01881	0.6
55.05513	2.3
56.05037	1.4
57.03438	3.0
57.07078	0.5
58.06596	0.9
59.04990	0.5
61.02945	0.8
67.05503	5.8
69.03424	7.1
69.07066	4.1
69.90076	0.8
69.90461	0.8
70.06588	7.0
71.04988	3.0
72.04520	0.7
72.08155	7.3
73.02927	1.4
79.05495	5.4
81.03417	7.8
81.07056	10.8
83.04980	1.7
83.08614	1.0
84.04501	0.6
84.08149	1.8
85.02903	15.8
85.03413	0.9
85.06550	2.3
85.08921	0.4
86.09692	3.9
87.04527	0.7
91.05473	3.1
93.07046	3.8
95.04979	1.4
95.08601	8.0
96.08149	0.7
97.02899	6.0
97.06525	2.8
98.06037	0.5
98.09696	17.0
99.04458	10.3
99.08105	1.4
103.03944	9.0
105.07036	2.2
107.04968	1.0
107.08556	2.0
108.08157	0.5
109.02880	6.5
109.06509	0.8
109.10177	0.8
110.09674	2.0
111.04452	0.5
111.08095	0.7
113.09648	0.5
119.08591	1.9
120.08127	1.2
121.06491	0.6
121.10159	2.1
123.11735	1.6
124.11259	1.5
126.05557	0.6
127.03912	18.8
129.10291	0.6
131.08609	0.9
133.06459	0.6
133.10146	0.6
135.11728	0.7
136.06224	1.5
136.07588	0.7
137.06009	0.6
142.12274	13.3
142.13362	0.8
145.02866	0.5
145.04962	3.0
145.06465	0.4
145.10138	0.7
147.04451	1.4
147.11670	2.3
149.13263	0.5
156.13890	0.6
159.11748	0.7
163.03931	0.6
163.06097	0.4
165.12758	1.1
167.07088	1.0
170.11821	1.9
173.09583	0.5
177.05527	1.1
183.13768	0.6
184.16963	1.0
187.06078	1.1
188.07042	0.5
204.10173	0.6
217.08583	0.6
255.57556	0.4
271.08197	0.6
277.21393	0.5
297.44592	0.4
304.26416	0.8
305.08273	0.5
315.08640	0.5
322.27341	2.2
330.11102	0.4
340.28439	7.3
351.12234	0.5
358.29495	19.4
359.29944	1.0
383.14630	2.0
400.31015	0.6
401.15927	1.4
419.16733	0.5
427.17657	1.7
484.31461	0.6
602.38916	1.6
646.38110	4.3
664.39020	100.0
665.30853	0.4
665.39771	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	665.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.19834	0.2
57.05813	0.4
58.06626	0.4
67.41080	0.2
68.25867	0.2
69.07072	9.3
69.47279	0.8
70.06596	2.1
72.08162	1.2
84.04505	0.2
84.08129	0.8
86.09711	100.0
87.10037	1.3
102.05582	0.2
103.05513	0.2
109.24770	0.2
112.71629	0.2
113.47741	0.2
120.08103	7.3
129.10251	0.5
136.07640	0.3
149.07355	0.3
166.08649	6.6
171.11337	0.3
207.13921	0.2
233.16542	0.3
279.17041	48.5
280.17276	1.7
289.35004	0.2
337.27710	0.2
371.69028	0.2
615.54077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01860	0.5
55.05510	0.3
57.03435	0.4
58.06574	0.2
59.05014	0.4
65.03934	0.6
67.05492	0.7
69.03426	1.2
69.07066	0.3
69.13580	0.8
69.13974	0.6
70.06584	1.0
71.04999	0.3
71.08638	0.2
72.08141	0.7
77.03914	0.3
78.04726	1.5
78.60085	0.2
79.05489	3.3
81.03405	0.4
81.07040	0.7
83.04979	0.5
84.08147	0.5
85.02917	1.2
86.06069	0.6
86.09698	0.7
91.05484	3.4
93.03387	0.3
93.07052	1.2
95.04971	1.7
95.08598	0.5
96.05775	0.3
96.08108	0.2
97.02902	0.5
97.06548	0.4
98.09692	0.9
99.04442	0.5
99.08096	0.3
103.05470	1.5
105.03382	0.3
105.04512	0.8
105.07027	3.2
106.04181	1.4
107.04958	8.9
107.08617	0.3
109.02908	0.5
109.06525	0.8
110.03691	0.3
111.04434	0.6
115.05429	1.6
116.06224	0.4
116.10725	0.9
117.03291	0.2
117.07023	2.2
119.04921	1.0
119.08564	0.4
120.08133	0.3
121.06504	3.4
122.03641	0.5
123.04433	4.6
124.05226	2.2
125.05975	1.0
127.03910	0.6
128.06227	0.7
129.05502	0.2
129.06992	1.9
131.04901	2.1
131.08580	1.7
132.05687	0.5
133.06487	3.8
134.03601	0.6
135.04393	1.0
135.08026	0.7
136.05173	0.7
137.05978	2.0
138.06732	0.4
139.07585	0.3
141.06961	0.7
142.12250	0.3
143.04875	0.5
143.05975	0.3
144.05724	1.8
145.06476	3.8
146.03633	0.3
146.07207	0.3
147.04401	0.9
147.07999	0.4
149.05972	2.4
151.03911	0.8
151.07542	2.8
152.04675	1.7
153.05469	1.2
153.06995	0.5
155.06041	1.0
156.05627	1.2
156.13782	0.3
157.06487	1.1
158.07214	0.3
159.04390	0.5
159.08020	2.4
160.05115	0.4
161.05978	5.2
161.09593	0.5
163.03911	3.0
163.07526	1.6
165.05524	0.6
165.06920	0.5
166.06331	0.5
167.07037	100.0
168.05974	0.3
168.07355	1.8
169.06424	0.3
169.07648	0.5
170.07326	0.6
171.08028	0.5
172.05208	0.4
173.06007	2.4
173.09570	0.2
174.06689	0.5
175.07536	0.9
176.04755	0.3
177.05457	1.3
177.06891	0.5
177.09138	0.6
178.06274	2.4
178.07700	0.5
179.04970	0.2
179.07018	1.5
179.08466	0.5
180.07843	0.3
181.05003	0.3
181.08600	9.1
181.09988	0.4
182.07373	0.4
184.05147	0.5
187.07553	2.8
188.08101	0.3
189.05429	0.3
189.06987	0.3
189.09100	0.9
190.06238	0.5
190.07825	0.4
191.07002	1.6
191.08531	0.4
192.07854	0.6
193.08606	10.4
193.10097	0.4
194.07274	0.7
195.06502	1.1
195.08096	0.6
197.05980	0.3
197.09708	0.4
198.06747	0.3
199.07526	0.9
199.09293	0.2
201.09125	0.3
202.06079	0.4
203.06898	0.6
203.08617	0.7
204.07823	0.6
205.06635	0.5
205.08554	3.4
205.10191	0.4
206.07352	0.4
207.08112	0.8
207.10149	0.5
208.08763	0.7
209.08041	0.9
209.09743	0.5
210.06827	0.4
211.07635	0.3
212.08379	0.4
214.18011	4.2
215.08617	0.7
216.07854	0.4
217.06590	0.4
217.08572	3.0
218.07210	1.1
219.06274	0.3
219.08043	1.2
219.10173	2.6
220.08990	0.3
221.09616	1.5
221.11658	0.4
222.10431	0.5
223.07640	0.4
223.09595	8.5
224.08231	0.4
225.09105	0.8
226.14339	0.4
227.07098	0.3
228.07841	0.2
231.08224	0.3
231.10178	1.8
232.08884	0.8
233.09645	2.2
234.06779	0.9
235.07463	1.2
236.08321	0.7
237.09077	0.9
237.11238	0.5
238.09802	0.6
239.10661	0.5
241.08519	0.6
242.09370	0.3
243.10225	0.4
244.15462	0.7
246.06766	0.6
247.07521	0.8
248.08318	0.8
249.09030	2.2
249.11246	12.1
250.06210	0.4
250.09596	1.1
251.07086	0.6
251.10622	1.0
253.08572	0.3
253.12289	0.6
255.10130	0.8
257.11685	0.3
260.08322	0.6
261.09116	2.4
262.06274	0.3
262.09799	0.5
263.06927	1.1
263.10602	0.8
264.07779	0.5
265.08585	1.3
265.12225	0.4
266.09323	0.6
267.10083	0.7
268.10892	0.6
269.08124	0.5
269.11658	0.8
271.09708	0.4
272.10620	0.3
275.07111	0.3
276.08020	0.3
277.08539	2.1
278.09290	1.2
279.07278	0.3
279.10046	1.3
281.08731	0.3
281.11658	1.7
282.08844	0.3
282.12518	0.3
283.09894	0.3
283.13321	0.7
285.11108	0.5
289.08508	0.8
290.09329	0.6
291.06802	0.3
291.10123	0.4
292.10733	0.4
293.08279	0.5
293.11740	1.9
295.09598	1.0
296.10352	0.3
297.11258	0.7
298.11874	0.5
299.12665	0.5
301.10760	1.0
306.08859	0.9
307.09628	0.8
309.11172	1.2
310.12006	1.0
311.12735	2.7
312.13507	0.4
313.10818	0.3
313.14206	0.5
315.15732	0.2
321.11154	3.0
323.09119	0.4
323.12839	0.3
325.10773	0.5
325.14310	1.5
327.12277	0.7
329.13776	1.1
331.15457	0.3
334.94772	0.3
338.11371	0.4
339.12320	3.5
339.16092	0.5
341.10187	0.3
341.13754	1.4
342.22681	0.9
342.29688	0.3
343.15433	3.9
353.13824	4.3
354.14297	0.3
359.15045	1.8
361.16440	26.0
362.16629	1.1
371.14868	15.4
371.18402	0.6
372.15015	0.4
376.23257	0.6
383.18533	0.3
385.16437	9.4
386.16806	0.4
389.15854	20.8
390.16141	0.7
403.17685	1.6
406.20929	0.4
407.20630	0.3
419.59131	0.2
421.18433	1.2
427.17426	0.7
504.27835	0.5
541.10150	0.2
564.03339	0.2
569.23810	0.4
648.39325	0.4
665.39435	0.4
666.28394	0.5
666.41150	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12849	0.3
51.73333	0.4
53.03949	1.5
55.01872	1.0
55.05511	2.1
56.05040	1.0
57.03438	3.5
58.06593	1.0
59.04984	0.3
61.02926	1.1
67.05509	4.1
69.03432	7.9
69.07072	3.3
70.06599	2.3
71.04988	2.2
72.04496	0.8
72.08155	10.2
73.02925	1.5
79.05492	3.7
81.03419	7.8
81.06588	0.3
81.07056	7.8
81.07502	0.6
82.07394	0.5
83.04988	1.1
83.08632	1.0
84.08147	1.2
85.02906	17.0
85.06543	1.3
85.08929	0.6
86.09719	1.4
87.04464	0.5
91.05482	1.5
93.07049	2.7
95.04955	0.6
95.08604	5.2
97.02894	7.0
97.06522	3.2
97.10219	0.6
98.09693	10.6
98.80733	0.4
99.04459	10.6
99.05071	0.7
99.08096	2.0
101.02353	0.4
102.09222	0.5
103.03271	0.6
103.03944	9.7
105.07053	1.3
107.08582	2.2
109.02868	6.7
109.10193	1.2
111.08117	0.5
113.09640	0.4
119.08604	1.2
120.08118	0.8
121.10141	1.4
123.11691	0.5
124.11243	0.6
127.03916	19.6
128.04274	0.5
131.08589	0.7
133.10146	1.0
135.11722	0.8
136.07640	0.4
140.14427	0.4
142.12292	7.2
145.04974	3.7
145.10110	0.4
147.11731	1.3
149.13269	0.8
161.13329	0.4
163.06125	0.6
165.12814	0.5
187.06078	1.6
212.49612	0.3
250.26662	0.3
306.40042	0.4
324.28992	3.4
342.29999	7.7
343.30524	0.6
360.31091	8.3
361.31290	0.5
504.35342	0.5
586.39655	1.5
588.37134	0.8
604.40466	1.3
648.39178	4.9
666.40564	100.0
667.41028	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	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
57.07060	0.3
57.70459	0.3
67.05489	1.7
69.07050	0.4
79.05492	1.0
79.76773	0.3
81.07052	1.6
91.05486	0.7
93.07057	0.8
95.08601	0.8
98.22626	0.8
101.84352	0.3
105.07018	0.4
105.19922	0.3
107.08601	0.6
113.01155	0.3
119.08610	0.6
203.63370	0.3
323.63934	0.3
333.20340	5.9
335.25586	0.4
389.22910	3.0
390.52039	0.4
525.18262	0.4
581.37677	0.5
667.45386	100.0
668.45782	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	667.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.3
68.37983	0.5
69.07049	0.8
70.25580	0.5
79.05493	3.7
81.07054	1.8
91.05486	1.5
91.12601	0.5
93.07034	3.3
95.08601	1.5
105.07048	1.1
107.08589	1.4
109.10168	0.9
117.07019	0.6
119.08582	1.0
120.14867	0.5
133.10143	1.6
135.11819	0.8
147.11690	0.7
178.88696	0.6
299.20062	0.8
317.20920	3.6
373.23538	5.4
667.45416	100.0
668.45929	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	668.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.04143	0.5
53.05156	0.2
55.01827	0.8
55.05508	2.4
56.05035	1.7
57.03436	6.3
58.06578	0.3
61.02893	0.6
65.03906	0.6
67.03118	0.2
67.05499	4.4
69.03426	5.6
69.07065	4.1
70.06565	0.3
70.69367	0.2
71.05003	1.7
71.07289	0.3
72.04510	1.6
72.08156	5.1
73.02863	1.1
74.28725	0.3
79.05489	3.2
81.03410	5.8
81.07052	6.9
83.04926	0.7
83.08607	1.4
84.08092	0.7
85.02902	10.4
85.06491	0.5
85.08891	0.4
86.09672	0.5
91.05477	20.2
93.07037	2.2
95.04924	0.6
95.08602	7.4
97.02892	6.1
97.06518	5.8
97.10117	0.9
98.09691	25.7
98.23414	0.8
99.04449	8.7
99.08080	5.5
102.09138	0.9
103.03932	6.3
105.07018	3.3
107.08573	1.9
109.02875	5.3
109.10143	2.2
111.08031	0.9
113.09631	2.5
115.05418	0.6
115.07546	0.3
117.07012	13.1
119.08549	0.5
121.10178	1.4
123.11665	0.7
124.11157	0.8
125.09595	0.6
127.03909	12.2
128.06122	0.3
129.07008	2.2
131.08559	20.5
135.11658	2.1
141.06921	0.4
142.12263	17.8
143.08580	2.3
145.04916	1.9
145.10103	1.8
146.87700	0.3
149.13213	0.9
156.13834	0.6
157.04922	0.3
157.10095	1.2
158.15379	0.3
159.11667	0.3
169.10107	0.6
171.11636	1.0
183.11615	0.3
185.13159	0.5
187.05951	0.9
187.14774	0.5
211.14705	0.6
257.18970	0.3
271.08173	0.3
295.49530	0.3
299.23654	1.3
326.28513	0.7
344.29453	12.4
345.29837	0.8
362.30508	42.6
363.30789	2.8
404.31381	0.6
606.40356	1.4
655.14856	0.3
668.39978	100.0
669.40320	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	669.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.03427	0.3
67.05494	0.7
69.03419	0.4
69.07077	0.6
69.96992	0.9
70.06585	0.9
71.05005	0.3
72.08163	1.0
77.48242	0.3
81.03415	0.5
81.07066	1.6
84.08159	1.3
85.02919	0.9
85.06559	0.4
86.09711	0.8
91.05486	1.0
93.07053	1.0
95.08624	0.9
97.02936	0.4
99.04487	0.4
103.03950	0.7
105.07046	0.5
107.08631	0.5
109.02928	0.4
109.10155	0.8
117.07015	0.6
121.10140	0.5
123.11733	0.5
127.03943	1.4
128.10735	1.0
133.10201	0.4
141.07030	0.4
142.12286	0.4
145.05020	0.6
147.04419	0.3
163.06099	0.4
189.05223	18.1
190.05772	0.4
205.04817	1.6
219.06374	0.4
245.07910	0.9
266.19980	0.3
291.26917	0.8
309.27762	0.7
345.25961	0.5
346.27527	0.7
397.12799	0.6
409.12823	0.7
427.13684	5.9
442.16006	3.9
443.16574	0.6
455.16934	0.6
538.47571	0.4
621.22864	0.6
639.24054	0.9
669.25159	100.0
670.25580	6.5
670.37915	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	669.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05088	0.2
55.05476	0.3
57.03439	1.8
60.72033	0.2
61.02934	0.3
66.07114	0.2
69.03416	0.9
69.40696	1.2
71.04993	7.6
73.02901	1.3
75.04462	1.2
83.04982	2.7
85.02902	14.7
87.04479	0.3
91.05465	0.4
97.02882	0.9
99.04431	0.7
103.05516	0.3
109.02869	0.5
111.04454	1.7
115.05465	0.6
117.05502	0.4
117.06977	0.3
123.04346	0.3
127.03915	1.0
128.06216	0.9
129.05489	4.5
129.06978	4.0
131.04919	0.8
131.08560	4.3
137.05971	2.3
141.06963	3.4
143.04907	0.5
143.08522	0.7
144.05734	0.6
145.04961	0.8
145.06425	0.6
146.07245	0.5
147.06532	2.4
151.07524	0.8
157.06483	3.7
158.07262	1.5
159.08046	4.8
160.05197	0.6
160.08408	0.3
161.05927	0.7
161.09625	0.6
163.06004	1.7
163.07411	0.5
167.36946	0.3
169.06445	2.1
170.07234	1.0
171.07991	1.3
173.05986	0.5
174.06761	9.6
175.07553	3.4
177.09016	0.3
186.06743	3.0
187.07500	0.9
188.08279	1.2
189.09099	21.1
190.09464	0.7
191.07018	0.4
191.10641	1.6
201.09082	7.3
203.10658	5.4
207.10210	0.6
219.10152	100.0
220.10480	1.7
221.11697	1.3
235.09610	0.3
237.11156	1.6
309.11551	0.8
311.12796	0.3
325.28915	0.3
327.12228	0.4
329.13770	0.5
349.14508	0.4
360.14807	0.3
367.15430	0.8
379.83124	0.3
483.20828	0.3
616.36810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12982	1.9
55.05293	2.2
55.05518	20.6
57.03436	8.0
57.07071	13.8
59.14259	1.8
61.02921	24.5
62.40175	2.1
65.16371	2.0
66.95414	2.0
67.05503	33.3
69.03429	3.4
69.07066	39.3
71.05003	2.5
71.08636	8.4
73.02923	7.6
74.36295	1.9
79.05496	16.5
81.03437	2.7
81.07050	44.6
82.06023	2.0
83.08615	36.8
85.02902	25.5
85.06505	2.6
85.10175	2.2
86.42079	2.0
91.03956	28.3
91.05462	2.8
93.07037	20.4
95.08598	34.5
97.02893	17.0
97.06529	9.9
97.10170	25.7
99.08063	2.3
107.08566	17.8
109.10142	14.7
111.08070	5.1
111.11732	4.6
121.10140	37.4
123.11716	15.7
125.09584	2.1
127.03902	10.9
135.11697	36.0
137.13243	10.7
139.11143	3.1
139.35521	2.0
145.04970	18.3
149.13235	13.4
153.12784	2.4
163.06029	23.6
163.14868	7.1
177.16437	3.3
219.21043	40.9
237.22116	92.1
238.22527	2.4
255.23175	22.5
311.25797	100.0
312.26218	2.3
329.26889	77.8
330.27249	3.8
341.53534	2.0
473.31311	5.1
622.66919	2.4
635.16577	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	670.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47076	2.0
55.05515	29.6
57.03431	8.8
57.07076	16.8
60.05949	1.9
61.02929	31.3
67.05503	36.3
69.03445	3.8
69.07066	44.6
69.76196	5.7
71.04967	2.2
71.08631	10.7
73.02917	13.0
79.05492	15.7
81.06574	2.6
81.07054	46.9
83.08618	35.7
85.02906	39.3
85.06569	2.5
85.10188	3.0
91.03956	36.3
91.05468	3.1
93.07045	24.4
95.08602	36.1
97.02895	17.9
97.06522	9.6
97.10163	22.9
107.08587	21.2
109.02891	2.2
109.10164	16.5
111.08081	5.2
111.11681	9.2
121.10152	45.9
123.11694	17.4
125.09655	2.3
127.03920	12.5
135.11697	38.9
137.13248	9.8
139.11235	3.2
143.10585	2.0
145.04965	15.7
149.13260	11.4
153.12747	2.8
163.06023	27.4
163.14818	7.0
177.16423	3.3
186.48804	2.2
196.38979	2.0
219.21068	45.0
219.23154	2.7
232.03952	1.6
237.22127	94.6
238.22481	3.2
255.23192	26.8
308.71298	1.8
311.25787	80.6
311.29379	4.2
312.25986	3.6
329.26852	100.0
330.27054	3.2
354.41061	1.9
355.36642	2.1
473.31503	2.4
475.30856	1.9
617.22461	2.4
671.38464	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	671.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61702	0.2
64.66877	0.2
69.10351	1.1
70.06571	0.6
72.08125	0.3
81.07053	0.3
84.08102	0.2
85.02853	0.3
86.09666	0.3
93.07030	0.3
95.08578	0.3
98.09706	0.2
111.04212	1.8
120.08072	0.2
127.03853	0.2
127.71430	0.1
135.11633	0.2
171.86945	0.2
172.04938	0.3
176.04552	0.2
189.05225	65.9
190.05989	8.1
191.06425	0.2
203.06721	0.3
205.04663	0.4
207.06340	0.6
219.06209	0.3
230.07909	0.6
243.17082	0.2
245.07803	0.3
247.09398	0.5
261.10919	0.2
263.08859	0.9
277.10580	0.3
278.11343	0.2
356.12265	0.7
399.13959	0.3
411.14273	0.5
413.14874	0.2
414.07700	0.2
415.17361	0.3
426.16586	0.3
429.15195	7.6
430.15601	0.6
443.16751	0.5
444.17538	6.5
444.23727	0.3
445.18338	0.8
457.18442	0.3
458.18451	0.2
615.48663	0.2
623.25031	0.2
627.89655	0.2
670.41290	0.3
671.26721	100.0
672.26965	7.3
672.38385	0.4
687.21014	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	671.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01861	1.4
55.05509	16.7
56.05041	1.5
57.03434	3.4
57.07079	13.8
58.06582	1.2
59.05015	1.3
61.02929	1.8
67.05154	2.2
67.05507	27.9
69.03430	6.2
69.07070	58.9
70.06584	4.0
71.04976	1.8
71.08637	6.9
72.08157	4.4
73.06564	1.9
79.05494	11.7
81.03411	5.4
81.07057	100.0
82.07384	1.3
83.05003	1.2
83.08624	30.5
84.08131	5.8
85.02905	18.9
85.06549	12.4
85.10167	2.9
86.09725	3.0
91.05474	6.5
93.07038	16.6
95.04967	2.2
95.08607	97.8
97.02915	6.2
97.06532	4.0
97.10175	20.7
98.09690	9.5
99.04462	4.5
99.08109	10.2
103.03955	3.3
105.07048	2.9
107.04921	1.5
107.08598	15.7
108.08916	1.6
109.02892	3.9
109.06499	1.1
109.10157	59.7
111.08105	2.3
111.11726	19.8
113.09645	4.0
117.07018	1.8
119.08589	1.8
120.08082	1.4
121.10130	11.8
123.11706	29.0
125.13280	8.6
127.03902	10.6
127.11201	7.6
128.10719	2.2
129.12759	4.0
131.08614	1.6
133.10071	1.3
135.11691	8.8
137.13257	16.9
139.14824	2.9
142.12289	5.2
143.14296	6.4
145.04962	4.7
145.10104	2.5
147.08116	1.5
149.13260	19.1
151.14827	36.5
153.12744	6.1
153.24443	1.2
155.14307	3.4
157.15907	3.4
163.14865	9.0
165.09157	1.5
165.16385	14.6
167.14284	2.9
169.15871	8.0
171.13800	3.7
171.17307	1.1
173.15408	2.0
175.03996	1.4
177.16440	4.2
179.17947	7.4
183.17470	3.8
191.17912	2.1
193.19565	3.2
197.19016	1.8
199.20618	2.4
205.06964	1.5
205.19539	2.4
207.06456	1.4
211.20529	2.2
219.21098	3.9
223.20526	1.6
237.22221	2.5
239.23659	3.1
241.21667	1.4
249.25810	2.4
257.12946	2.2
263.27466	2.3
275.27338	13.4
281.28403	10.2
285.12219	1.5
293.28384	39.1
299.29529	1.5
311.29413	33.7
329.30511	14.2
346.27026	1.1
347.27701	1.4
348.28909	6.7
366.30011	3.1
383.29410	1.4
401.30405	1.8
419.31503	1.9
455.33896	1.5
473.34628	1.4
671.39282	21.0
672.39410	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	1.5
55.88371	0.8
57.03424	3.1
61.02916	3.9
69.03430	12.0
70.06578	1.6
70.62907	1.5
71.04974	1.4
72.28257	0.8
73.02924	1.9
81.03398	4.9
85.02898	29.6
86.09682	1.1
87.04482	1.4
91.03963	1.0
91.05499	4.5
97.02882	9.7
99.04467	1.7
102.04684	0.8
103.05460	19.4
105.07034	0.9
107.04939	1.1
109.02869	7.6
119.04957	9.2
123.04424	15.3
127.03909	7.8
129.06995	2.0
131.04919	46.3
132.05421	0.9
133.02838	1.6
133.06493	2.3
135.04422	5.0
136.05231	1.2
139.03868	1.5
145.05000	5.9
145.06482	2.6
147.04398	42.2
148.05127	2.7
149.05969	100.0
150.06332	1.4
151.03963	1.8
159.04399	1.4
161.05940	6.6
163.03885	5.9
165.05396	1.5
169.47011	0.9
173.05980	2.9
185.06006	5.3
187.06053	1.0
197.53302	0.8
203.06958	4.3
206.65421	1.1
213.05589	0.9
219.08179	1.0
225.22260	0.8
247.07877	1.6
265.08484	1.5
267.10193	1.1
274.61954	0.8
277.08621	1.7
283.09604	8.2
295.09631	11.8
313.10696	22.6
355.11670	1.1
475.15903	4.9
672.40454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01851	0.4
55.05476	0.7
56.04998	0.6
57.03437	1.7
61.01115	0.6
61.02926	3.1
67.05462	1.2
69.03429	7.4
69.07025	0.7
70.06591	9.2
70.15885	0.4
70.16197	0.4
71.04941	0.6
71.06895	0.6
72.08155	1.5
73.02911	3.0
78.23875	0.3
79.05458	0.6
81.03420	2.3
81.07021	0.8
82.06551	1.0
83.01340	0.4
83.07358	0.6
84.04459	1.0
84.08133	4.2
85.02904	11.3
86.09711	2.0
87.04478	2.7
89.25378	0.3
91.03948	0.6
91.05430	1.0
93.07024	0.8
94.06524	1.4
95.04935	0.3
95.08556	0.6
96.08138	2.6
97.02902	4.8
98.06030	0.5
99.04416	1.3
102.05537	0.4
103.03883	0.5
107.07311	0.5
107.08530	0.5
108.08125	1.6
109.02873	1.6
109.08844	0.7
110.07137	0.4
110.09684	1.6
112.07553	1.5
115.03844	0.4
118.06884	3.3
119.04877	0.3
120.08049	1.4
122.09661	2.6
123.03632	0.4
123.04431	4.7
126.05505	0.3
127.03920	2.9
127.09928	6.3
129.06593	0.4
129.10265	3.2
134.09671	0.5
137.05930	0.3
138.99403	0.3
140.09813	0.4
140.10710	4.6
145.04947	0.8
149.05925	0.6
150.12737	0.4
154.12270	0.3
159.09085	0.5
163.08873	0.4
199.10672	0.4
200.13820	0.3
206.18954	1.4
213.09045	1.2
214.09441	0.8
215.09752	0.6
224.20110	3.4
227.10321	0.5
274.12085	0.5
290.21082	0.6
314.20996	0.7
328.22699	7.7
330.24274	21.3
331.24719	0.4
346.23819	6.8
347.24457	0.9
348.25327	51.8
349.25583	1.5
369.88785	0.4
372.25360	0.7
373.19098	0.6
390.26349	2.2
492.29703	0.9
510.30624	19.6
511.30933	0.9
512.16675	0.3
669.98767	0.4
671.86621	0.9
672.35876	100.0
673.25220	0.7
673.36151	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06834	0.2
51.43328	0.2
53.03917	0.6
55.01825	0.9
55.05505	1.0
55.91457	0.2
56.05008	0.3
57.03437	2.1
58.06571	0.3
58.59308	0.2
61.02927	3.0
63.67101	0.2
67.05510	1.2
68.04977	0.9
69.03431	9.4
69.07072	1.2
70.06590	3.8
70.80846	0.4
71.01320	0.5
71.04951	0.9
71.05318	0.2
71.06883	0.2
72.08111	0.7
73.02913	2.6
78.12389	0.2
79.05495	1.0
80.04984	0.3
81.03420	3.1
81.07015	0.9
82.06573	1.7
83.01300	0.3
83.07355	1.6
84.08154	1.9
85.02905	13.6
86.09712	1.7
87.04462	2.6
91.03960	1.3
91.05486	0.5
93.07041	1.0
94.06571	1.7
95.04909	0.5
95.07320	0.3
95.08564	0.6
96.08135	3.4
97.02896	5.5
97.08904	0.4
98.06033	0.5
98.09654	0.6
99.04440	1.4
101.02322	0.8
103.03872	0.6
105.07025	0.5
105.92947	0.2
107.07272	0.3
107.08554	0.6
108.08133	1.7
109.02876	2.4
109.06459	0.2
109.08843	0.8
109.10112	0.3
110.07184	0.3
110.09679	2.3
112.07609	2.3
115.03931	0.4
120.08085	0.5
121.10078	0.3
122.09677	3.2
123.04431	6.9
123.10407	0.5
126.09157	0.5
127.03921	3.5
127.09934	9.9
128.10684	0.6
129.10173	0.7
136.11191	0.5
137.06036	0.2
138.12738	0.3
140.10698	8.3
144.10152	0.3
145.04967	1.3
147.04330	0.2
149.05913	0.5
150.12759	0.3
152.14302	0.3
154.12192	0.4
163.07581	0.2
178.15944	0.3
182.15475	0.5
192.49197	0.2
196.17007	0.3
206.19038	3.1
210.18471	0.4
217.13489	0.2
220.20638	0.4
224.20088	5.1
290.21106	0.8
304.22900	0.3
314.21085	0.7
328.22766	4.4
329.23462	0.2
330.24268	23.5
331.24420	0.7
347.24615	0.6
348.25317	56.9
349.25647	1.6
357.57117	0.2
372.25336	0.6
376.24542	0.3
390.26166	1.3
478.27902	0.2
489.53784	0.2
492.29617	1.0
510.30655	13.2
511.31030	0.6
621.88898	0.2
672.35864	100.0
673.36060	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	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
57.03186	0.4
57.03439	4.5
57.07074	36.9
58.07391	0.6
61.02923	13.6
61.42465	0.3
67.05502	10.1
69.03419	1.7
69.07063	7.0
69.10931	1.4
69.11356	1.3
71.04966	0.9
71.08628	31.7
73.02911	4.7
75.04472	1.4
79.05476	0.4
81.03441	1.0
81.07050	15.3
83.08619	12.9
85.02903	14.0
85.06525	0.8
85.10176	17.7
89.06018	1.0
91.03952	11.5
93.06999	0.6
94.27210	0.3
95.08603	23.1
96.08919	0.4
96.92249	2.9
97.02895	7.5
97.10159	6.3
98.77689	0.4
99.04446	0.8
99.11711	1.3
102.75754	0.4
103.03925	0.4
103.07564	0.9
104.10757	0.7
105.42765	0.4
109.02885	0.7
109.10153	12.0
111.11714	1.2
115.03952	0.9
123.11714	5.2
125.13294	0.5
127.03915	5.3
137.13269	2.2
145.04956	6.5
151.14813	1.0
163.06017	9.9
163.07317	0.7
164.06329	0.5
165.16354	0.7
179.95644	0.4
221.22633	1.1
239.23682	21.2
240.24187	0.5
257.24747	3.8
313.27347	100.0
314.27704	3.5
331.28409	38.3
332.28790	0.6
334.79620	0.4
474.34601	0.5
475.32800	2.4
672.37329	0.6
694.73340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13340	0.5
55.05517	3.4
57.03438	4.2
57.07077	37.2
57.22750	0.4
61.02925	15.9
61.23594	0.5
67.05505	9.9
69.03426	1.6
69.07071	6.8
69.25938	2.3
71.05000	0.7
71.08631	32.4
73.02915	5.3
75.04483	1.8
79.07291	0.4
80.69635	0.4
81.03420	1.2
81.07056	14.7
81.34808	0.5
83.08621	11.4
85.02906	19.1
85.06558	0.4
85.10182	19.0
89.06036	0.8
91.03957	14.9
95.08608	22.4
97.02895	8.7
97.10168	5.8
99.04453	0.8
99.11746	1.0
103.07529	0.5
109.02879	0.5
109.10155	12.7
111.11751	1.9
115.03952	0.8
123.11711	5.5
125.13261	1.8
127.03907	5.3
137.13254	1.6
145.04962	8.6
163.06006	15.8
165.16393	0.8
187.16927	0.5
198.97417	1.1
213.12912	0.5
221.22609	0.8
239.23683	22.1
240.23933	0.6
257.24713	3.9
295.07846	0.4
298.27344	0.6
313.27359	100.0
314.27698	2.7
331.28415	48.3
332.28796	1.3
451.45303	0.5
496.22104	0.6
496.65903	0.4
553.25220	0.7
581.15210	0.5
614.87598	0.5
690.48273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05514	5.5
57.03440	8.0
57.07061	0.9
61.02916	3.1
61.75687	0.6
65.03942	1.1
67.05508	33.1
69.07062	7.5
69.12615	3.3
69.13017	1.7
71.05000	1.4
79.05493	11.8
81.03439	0.7
81.07057	21.1
83.04988	1.7
83.08623	3.0
85.02901	3.6
91.03947	1.1
91.05468	6.4
93.07050	17.7
95.04982	2.0
95.08607	100.0
96.08942	1.7
97.02893	1.4
97.06536	2.8
97.10197	1.1
105.04527	1.3
105.07013	5.7
107.08604	7.7
109.10144	7.6
111.08098	1.0
113.09621	0.7
117.07017	1.3
119.08591	5.0
121.10142	7.5
123.08071	2.6
123.11704	2.9
127.03935	0.7
131.08577	4.0
133.10123	3.1
135.11694	4.7
137.13249	1.4
141.09105	5.0
145.01663	0.7
145.10133	2.2
147.11725	2.5
149.13220	3.9
159.10173	12.6
159.11679	2.9
161.13248	2.3
163.11137	0.7
163.14833	2.9
163.47731	0.7
173.13286	1.7
187.14792	1.1
198.97618	0.8
213.11211	4.3
215.12794	66.9
216.13138	1.9
243.21146	3.5
261.22125	12.1
262.95523	0.8
317.24780	1.9
335.25809	45.2
336.26212	1.5
401.30380	0.9
425.96545	0.9
457.33237	0.8
475.34238	23.9
476.34171	1.4
493.35382	3.9
655.31842	2.0
672.27521	2.6
673.32336	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	672.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01885	0.8
55.05506	6.1
57.03438	7.8
57.07069	1.3
58.86965	0.6
61.02923	3.0
65.03919	1.1
67.05504	31.2
68.05802	0.7
69.07063	8.5
71.04997	1.3
79.05494	13.3
81.03432	0.8
81.07056	22.9
83.04993	0.7
83.08623	3.5
85.02901	2.9
85.06537	0.9
91.03959	1.5
91.05480	7.2
93.07046	20.3
95.04953	3.2
95.08606	100.0
96.08955	1.8
97.02892	1.8
97.06527	4.6
97.10149	1.9
99.08045	0.8
103.03897	0.8
105.03407	1.7
105.04522	1.4
105.07034	6.4
107.08596	10.1
109.10157	6.7
113.09698	0.9
117.07033	1.7
119.08559	4.7
121.10144	6.7
123.08057	3.0
123.11720	3.5
129.07065	0.7
129.20378	0.6
131.08556	3.9
133.10136	2.9
135.11685	5.2
141.09106	4.9
145.10147	4.1
147.11705	2.7
149.06006	2.4
149.13225	3.4
159.10178	10.1
159.11691	2.3
161.13258	1.8
163.14867	1.5
170.22598	0.6
173.13237	2.7
175.09691	0.9
187.14922	1.4
201.16402	0.9
213.11292	2.7
215.12784	49.8
216.13132	1.9
243.21109	2.6
247.20903	0.6
250.76973	0.6
261.22119	12.4
317.24725	2.3
335.25797	45.3
336.26263	1.9
341.09970	0.6
365.28378	0.8
383.29453	1.0
409.20303	1.4
423.21802	0.7
435.21719	0.8
437.23343	1.6
449.23529	1.3
463.21249	1.0
475.34201	31.0
476.34515	2.3
493.35068	1.8
509.25824	0.8
511.27249	1.3
513.24707	0.7
536.27960	1.1
595.28967	0.9
629.29224	0.9
655.31287	1.9
672.30725	1.2
673.32227	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3235
Annotation	Heterotropatrione
Peak:m/z	Relative Intensity
52.33174	0.8
55.05515	2.2
57.03168	0.6
57.03438	1.8
61.02938	0.8
67.05505	9.5
68.05836	1.2
69.03432	1.5
69.07066	2.3
69.74705	2.1
79.05505	5.2
81.03382	0.7
81.07063	7.9
82.07407	0.7
83.04948	0.6
83.08620	1.5
86.09706	2.4
91.05499	3.7
93.07045	5.6
95.04960	1.1
95.08607	25.3
96.08955	3.4
97.02882	1.0
97.06551	1.2
105.07045	2.5
107.08605	3.1
108.21415	0.7
109.10173	3.0
117.06970	1.1
119.08609	1.7
120.08838	0.8
121.10160	3.0
123.08076	1.3
125.00001	1.5
131.08598	1.4
133.10133	1.1
135.11732	1.9
141.09154	1.1
145.10132	1.0
145.67670	0.7
147.11723	0.9
149.13316	1.5
152.06073	0.7
159.10196	2.2
159.11642	0.8
160.10579	0.8
161.13226	0.7
184.07344	9.3
215.12770	13.8
215.14581	0.9
216.13144	3.9
237.14012	1.3
239.15494	1.6
243.21202	1.3
244.21391	0.8
250.07501	0.7
261.22305	1.6
262.22498	2.1
288.14944	0.8
335.25775	9.8
336.26221	6.6
395.18478	0.8
409.20264	1.6
421.20056	0.9
423.21671	1.9
435.21854	1.4
437.23547	5.0
439.21390	1.7
447.22202	0.8
449.23877	3.3
463.21371	1.4
475.34473	3.6
476.34326	7.3
477.23010	2.9
495.23914	2.0
509.25546	2.5
511.27045	2.9
522.26160	1.2
523.27081	2.3
527.26617	0.8
536.27710	1.6
537.27740	0.9
541.27228	0.7
557.26996	0.9
563.26550	1.0
564.27332	1.1
565.27960	1.0
569.27454	1.3
572.61420	0.7
582.27808	1.1
584.29822	1.9
585.28412	0.9
595.28973	2.7
596.29401	0.9
597.30615	1.7
613.30096	2.4
623.28259	1.7
655.31219	3.2
656.31604	0.8
673.32257	100.0
674.32892	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	674.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26660	2.9
52.76065	2.9
55.05511	49.1
55.22847	3.0
57.03443	10.5
67.05505	53.4
69.03425	4.7
69.07061	15.7
69.17888	12.7
69.18299	6.3
74.63497	3.4
76.03484	3.5
76.54243	2.8
79.05492	50.1
81.07058	64.5
83.04995	5.3
83.08620	18.1
85.02887	3.3
91.05481	18.4
93.07042	49.3
95.04958	4.0
95.08607	35.7
97.06471	4.9
97.10175	42.6
105.07039	13.3
107.08589	40.1
109.06495	3.6
109.10150	21.0
117.07013	3.9
119.08595	10.8
121.10126	17.9
123.11712	8.4
125.09638	29.3
131.08580	6.6
133.10175	8.7
135.08034	4.6
135.11696	14.0
143.10684	7.6
145.10129	9.1
147.11748	7.1
149.13264	11.5
159.11688	7.3
161.13268	8.5
163.14864	9.1
163.42795	3.1
173.13243	8.4
175.14763	3.4
215.12796	6.2
217.14345	100.0
243.21088	13.3
261.22089	38.5
262.79544	3.2
280.73160	3.0
335.25827	74.4
337.27469	3.6
353.26840	14.6
403.31915	9.4
465.48209	3.3
477.35736	56.6
495.36511	6.0
674.40137	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	674.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.4
57.03432	2.9
57.03988	0.9
57.07073	35.6
59.04950	1.0
67.05503	10.5
69.03416	1.3
69.07061	4.5
71.08628	22.6
72.26441	0.9
73.06550	10.2
79.05495	7.9
80.67403	1.1
81.07053	10.2
83.04983	2.0
83.08629	5.7
85.10184	17.6
87.04459	9.2
89.06029	100.0
90.06364	1.3
91.05479	3.9
91.07614	1.3
92.47729	1.0
93.07055	5.8
93.65522	1.0
95.08607	7.3
97.10171	10.6
99.11721	3.1
105.07021	3.3
107.07069	2.6
107.08595	6.8
109.06526	1.4
109.10152	4.8
113.13285	1.6
117.07028	1.7
117.09126	9.8
119.08589	2.1
121.10161	3.0
125.09614	4.1
129.07008	1.1
130.08669	2.4
131.07039	3.2
131.08530	1.9
133.08601	55.7
133.10150	2.3
135.11641	2.3
143.10678	2.2
145.10121	2.9
149.13248	1.4
155.17921	5.4
157.10095	1.4
161.11768	2.1
175.09637	2.1
177.11218	22.7
184.07301	1.5
199.20552	3.3
217.14330	14.3
219.24553	1.2
221.13905	5.2
243.20920	1.3
243.23184	10.9
247.42252	1.2
261.22131	3.1
283.17514	2.2
287.25858	6.4
291.19394	1.3
310.52972	1.1
335.25842	14.4
336.25986	1.2
403.31931	2.1
477.29309	1.4
477.35797	15.1
503.30310	3.1
519.52264	1.1
657.47980	5.5
674.50885	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68196	0.2
56.16072	0.2
77.43913	0.2
86.24708	0.2
180.23376	0.2
215.42583	0.1
265.96771	0.2
270.54587	0.2
318.30057	0.3
440.14929	0.3
441.15060	0.4
451.77591	0.2
453.15704	0.6
454.17038	0.8
455.13269	0.5
456.14078	0.2
467.13437	0.8
468.13873	2.2
469.14856	8.5
470.15598	1.8
471.16415	0.5
472.18863	0.2
479.17505	0.2
480.17743	0.3
481.14639	1.9
482.15875	11.0
483.16605	11.5
484.17383	2.2
487.16083	0.3
495.16800	1.0
496.17505	6.0
497.18210	43.4
498.18814	4.4
499.20380	0.9
500.17285	0.2
501.18109	0.2
509.14539	0.5
510.19385	2.0
511.19879	6.0
512.20624	1.5
515.19348	1.7
516.19031	0.2
523.17224	0.6
524.18506	0.5
525.21692	0.2
527.15961	0.4
528.16345	2.2
529.17090	0.6
538.20605	1.0
539.22192	0.3
541.17249	1.0
542.17804	2.6
543.18463	0.3
555.18445	1.3
556.19495	3.5
557.20288	4.0
569.20148	0.8
571.21698	0.5
583.21228	0.3
586.23755	0.2
597.22534	0.2
616.21497	1.7
625.22961	0.4
629.22485	0.9
630.23114	0.5
643.23981	8.2
644.24707	9.3
645.25427	1.0
657.25555	8.0
658.25806	0.7
675.26587	100.0
676.26868	8.3
676.38757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50930	0.6
55.97734	0.6
58.18405	0.7
62.03909	0.6
79.05460	0.8
81.07053	0.7
91.05506	0.6
128.02985	0.6
129.71507	0.6
133.79889	0.6
146.07066	0.6
253.02551	0.6
335.00409	0.7
347.09671	2.4
361.60464	0.6
430.11853	1.0
513.30347	17.9
514.30725	0.9
675.35504	100.0
676.35730	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52613	3.0
55.05505	11.6
57.03443	7.8
61.02927	23.9
67.05505	32.2
69.03437	4.4
69.07073	9.3
71.04998	4.3
73.02913	6.0
76.22627	3.1
79.05499	38.2
81.03463	3.9
81.07069	29.1
83.08624	6.4
85.02901	25.4
85.06564	3.7
91.03949	14.7
91.05479	42.2
93.07048	51.0
95.04958	10.6
95.08608	25.2
97.02888	10.4
97.06535	3.5
105.07030	53.9
107.04939	3.2
107.08588	23.7
109.06505	3.1
109.10162	7.2
111.17719	3.0
117.07036	12.9
119.08573	37.0
121.10157	17.2
123.11727	3.3
127.03948	3.1
128.06200	4.3
129.07011	13.7
130.84315	3.2
131.08563	21.5
133.10141	32.8
135.08099	3.3
135.11659	18.4
143.08531	8.2
145.04991	8.9
145.10147	18.6
147.11690	36.1
149.09695	3.6
149.13260	9.2
157.10153	12.3
159.11726	15.6
161.13272	22.4
163.06029	10.8
163.14844	4.1
169.10167	3.6
171.11731	9.4
173.13313	7.4
175.14847	14.2
183.11754	4.6
185.13326	10.0
187.14804	3.9
199.14755	5.2
213.16566	3.2
231.21167	10.8
241.19505	23.2
259.20602	70.5
275.16208	3.4
349.23993	3.4
351.25311	100.0
352.25769	3.4
363.25583	4.0
369.24115	3.2
369.93622	3.3
375.25418	3.4
385.23654	3.9
441.26245	7.0
459.27496	5.2
460.27731	3.3
461.28751	5.7
470.96744	3.2
477.28519	4.3
495.29434	6.1
497.95374	3.4
675.40131	14.4
704.22681	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57021	0.8
53.03938	2.5
55.01866	2.0
55.05515	11.5
57.03440	7.7
57.07076	2.9
60.50697	0.8
61.02928	18.0
63.49648	0.8
65.03934	1.5
67.05506	31.9
69.03431	3.7
69.07072	10.9
70.51759	1.2
71.04995	3.0
71.08636	1.2
73.02928	7.4
75.04482	1.4
77.03934	1.8
79.05495	42.4
81.03415	3.8
81.07059	35.0
83.04993	2.9
83.08624	6.2
85.02908	20.3
85.06539	2.6
87.04487	1.6
91.03958	13.0
91.05480	37.5
93.07046	58.8
95.04984	6.0
95.08612	22.9
95.09216	1.5
96.68913	1.0
97.02897	9.1
97.06533	3.0
97.10179	2.4
99.08095	2.6
101.02348	1.0
103.03961	1.1
105.04538	2.0
105.07030	44.1
107.04993	2.2
107.08592	30.4
109.06522	3.8
109.10159	9.3
113.09650	1.1
115.03931	2.2
115.05481	1.2
117.07033	12.5
119.08584	35.5
121.06483	1.7
121.10149	23.5
123.08078	2.6
123.11726	2.6
127.03923	4.7
128.06267	1.5
129.07025	7.7
131.08575	16.0
133.06491	1.5
133.10130	30.3
135.08064	2.6
135.11690	22.2
137.09596	2.2
141.07039	1.7
142.07735	1.2
143.08574	8.7
145.04974	4.3
145.10120	13.6
147.08089	1.1
147.11688	28.3
147.64163	0.8
149.09680	2.8
149.13254	13.2
151.11212	1.4
155.08600	2.3
157.10097	9.6
159.08017	1.5
159.11691	14.0
161.09630	2.3
161.13266	23.2
163.06024	7.7
163.11168	2.1
163.14807	6.1
167.08513	1.1
169.10170	2.6
171.08070	1.1
171.11696	11.1
173.13251	9.1
175.11211	2.7
175.14803	12.6
177.12729	2.4
183.11714	2.7
185.13254	10.5
187.14778	2.3
189.12878	2.3
189.16402	1.3
191.14278	1.3
197.13283	2.0
199.11185	1.1
199.14825	6.9
201.16418	1.2
203.14368	1.7
209.09499	1.1
209.13480	1.0
211.11137	0.9
213.16411	1.4
217.15874	2.2
217.19608	4.4
231.17441	2.5
231.21111	6.5
241.19504	26.4
259.20572	64.2
260.20975	2.4
261.22171	2.0
268.22610	0.9
271.20676	1.8
277.21674	9.7
311.79135	1.0
313.21881	1.3
333.24225	11.6
339.23129	1.4
343.22577	1.2
349.21548	1.2
349.23758	1.4
351.25299	100.0
352.25562	4.1
363.25351	3.8
367.22638	4.1
369.84741	0.9
375.25284	3.8
385.23691	2.1
403.24460	1.2
417.26346	2.6
429.26675	2.1
441.26367	9.6
459.27341	6.8
477.28647	4.6
478.29449	1.1
495.29422	10.1
613.29462	1.2
675.30249	2.9
675.40295	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	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07043	0.2
63.97308	0.2
70.71197	0.2
74.69173	0.2
81.06998	0.2
82.67242	0.2
83.27314	0.2
87.97072	0.2
89.13098	0.2
95.08608	0.2
95.76617	0.2
112.17459	0.2
116.40626	0.2
119.65726	0.2
129.75410	0.2
135.08224	0.2
145.42358	0.2
158.84695	0.2
164.59192	0.2
185.04218	0.9
201.42966	0.2
203.05276	1.8
218.95750	0.2
259.07938	1.2
297.22815	0.2
305.08350	0.3
333.24789	0.2
347.09625	1.2
365.10608	2.9
421.13141	1.7
515.31921	23.9
516.32416	1.1
677.37146	100.0
678.37537	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	677.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73166	0.2
53.94589	0.2
56.95378	0.2
57.61710	0.2
61.25287	0.2
70.05849	0.3
147.08003	0.2
168.98956	0.2
171.68425	0.2
185.04173	0.5
196.69859	0.2
222.65236	0.2
244.03563	0.2
259.07764	0.5
265.03662	0.2
269.67023	0.2
347.09476	1.2
353.26794	0.2
370.01099	0.2
413.35403	0.2
421.13098	0.5
421.55569	0.2
432.44971	0.2
515.31921	26.0
516.32471	1.2
595.90851	0.2
677.37152	100.0
678.37518	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01867	0.8
55.05253	0.8
55.05510	12.4
57.03434	5.3
57.07071	4.3
59.04996	0.8
61.02925	26.5
65.03936	2.3
67.05502	69.2
69.03426	3.7
69.07063	12.3
71.04985	2.3
71.08624	1.2
73.02914	9.3
75.04497	1.1
75.42321	0.4
76.64262	0.5
77.03915	1.2
79.05488	42.5
80.05822	0.8
81.03408	2.1
81.07053	73.6
82.07406	1.1
83.04985	1.5
83.08609	7.3
85.02898	27.7
85.06522	2.4
85.10184	0.6
91.03955	27.7
91.05476	23.3
93.07040	59.7
94.07375	0.9
95.04975	5.1
95.08601	57.8
96.08956	1.2
97.02892	11.3
97.06510	3.2
97.10175	3.9
97.68871	0.6
98.23539	0.9
99.04459	1.6
99.08086	2.7
103.05455	0.5
105.04520	1.8
105.07027	18.1
107.08588	37.1
108.08938	0.8
109.02845	1.1
109.06513	2.1
109.10152	32.1
110.10484	0.8
111.08086	2.1
111.11738	0.9
113.09676	1.4
115.03938	1.6
115.07606	0.8
117.07004	10.6
119.08572	15.4
121.06593	0.4
121.10142	34.9
122.10452	0.7
123.08073	1.7
123.11701	17.8
124.12010	0.5
125.09617	1.9
125.13199	0.5
127.03912	9.1
127.11172	0.6
129.07004	0.9
130.07756	0.6
131.08565	21.0
133.10121	15.2
135.08058	0.5
135.11688	28.2
137.09598	1.9
137.13243	6.5
139.11163	1.8
141.47752	0.5
143.08568	0.9
145.04945	13.0
145.10123	15.4
147.11676	9.7
149.09598	1.3
149.13254	22.2
150.13538	0.6
151.11162	2.6
151.14830	2.3
153.12756	1.5
157.10155	0.9
159.10364	0.7
159.11688	15.4
161.13251	11.7
163.06006	20.6
163.11197	0.9
163.13493	1.1
163.14815	15.5
165.12759	2.5
167.10451	0.5
173.13249	16.3
175.14822	4.7
177.12744	1.7
177.16374	5.9
179.14250	2.9
187.14828	7.6
189.16379	0.7
191.14253	1.6
195.13771	0.5
199.14796	0.6
201.16365	3.6
205.15874	1.5
215.17902	1.5
219.17480	1.3
233.22633	3.4
243.21077	34.1
244.21465	1.4
245.22623	0.4
261.22119	100.0
262.22510	2.6
263.23657	1.3
279.19736	0.5
279.23129	3.0
303.23065	0.7
317.24680	0.8
335.25781	17.1
336.26028	0.9
350.46469	0.6
353.26849	34.6
354.27118	1.2
443.16989	0.6
445.18881	0.9
479.29739	0.7
497.31042	1.8
541.20483	0.7
573.22174	0.5
617.22614	4.3
645.21881	2.9
677.35736	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11868	4.5
55.05518	16.6
57.03455	10.8
57.07082	6.5
61.02933	25.1
64.48774	5.1
66.48474	5.9
67.05507	82.1
69.07077	11.5
69.63738	15.6
69.64155	11.4
69.75620	5.5
71.05006	5.5
73.02934	8.0
79.05502	46.7
81.07060	100.0
83.08640	11.0
85.02929	20.6
91.03967	24.9
91.05507	18.6
93.07047	65.6
94.84911	5.1
95.08616	71.4
97.02879	13.2
98.23383	9.9
105.07051	19.6
107.08594	45.0
109.10167	48.0
110.40071	6.2
117.07069	10.0
119.08628	19.7
121.10154	35.5
121.64521	6.7
123.11724	27.6
127.03964	13.1
131.08604	24.6
133.10173	15.4
135.11667	31.6
137.13252	8.3
145.04999	8.7
145.10139	16.3
147.11726	12.1
149.13300	19.2
159.11781	16.7
161.13277	11.9
163.06068	13.4
163.14847	26.1
173.13304	19.6
175.14876	6.3
179.14337	5.8
187.14859	12.3
243.21080	30.6
252.72118	5.8
261.22165	95.4
314.93600	5.2
335.25717	39.4
353.26941	50.6
357.52536	5.4
444.30847	6.0
473.81836	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	677.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03441	2.0
61.02928	5.2
65.03926	0.4
66.77938	0.4
67.05503	4.3
69.03429	3.6
69.07069	1.0
69.23248	2.6
73.02911	3.7
79.05497	3.1
81.03423	1.3
81.07050	3.7
85.02898	5.4
86.09715	0.5
91.03955	3.5
91.05502	1.3
93.07040	3.3
95.08605	8.5
97.02894	5.0
98.23426	0.9
99.04458	1.1
101.02390	1.5
103.03970	0.5
105.07037	0.9
107.08598	1.5
109.02888	1.0
109.10159	1.0
115.03944	0.6
119.08591	0.9
121.10165	1.3
127.03947	1.6
131.08578	1.0
133.10123	0.5
135.11723	0.8
145.10193	0.5
147.09875	0.4
147.11739	0.4
159.10217	0.8
172.99704	0.3
181.08530	0.5
184.07356	1.5
185.04213	0.9
212.14323	0.8
215.12849	0.5
243.08432	1.7
335.26022	0.8
342.24515	1.3
343.24844	0.6
399.16260	5.0
519.29248	7.7
533.97870	0.4
615.77356	0.4
617.23010	0.7
677.38684	100.0
678.39093	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	677.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03441	2.0
61.02928	5.2
65.03926	0.4
66.77938	0.4
67.05503	4.3
69.03429	3.6
69.07069	1.0
69.23248	2.6
73.02911	3.7
79.05497	3.1
81.03423	1.3
81.07050	3.7
85.02898	5.4
86.09715	0.5
91.03955	3.5
91.05502	1.3
93.07040	3.3
95.08605	8.5
97.02894	5.0
98.23426	0.9
99.04458	1.1
101.02390	1.5
103.03970	0.5
105.07037	0.9
107.08598	1.5
109.02888	1.0
109.10159	1.0
115.03944	0.6
119.08591	0.9
121.10165	1.3
127.03947	1.6
131.08578	1.0
133.10123	0.5
135.11723	0.8
145.10193	0.5
147.09875	0.4
147.11739	0.4
159.10217	0.8
172.99704	0.3
181.08530	0.5
184.07356	1.5
185.04213	0.9
212.14323	0.8
215.12849	0.5
243.08432	1.7
335.26022	0.8
342.24515	1.3
343.24844	0.6
399.16260	5.0
519.29248	7.7
533.97870	0.4
615.77356	0.4
617.23010	0.7
677.38684	100.0
678.39093	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
53.03949	6.0
55.01867	8.1
55.05513	48.9
57.03433	20.3
57.07050	5.3
59.05000	2.2
65.03931	7.6
65.98256	1.9
67.05505	96.4
69.03435	3.5
69.07066	42.4
69.08597	8.2
69.09016	7.1
71.04996	7.3
77.03918	3.9
79.05493	88.1
81.03416	4.3
81.07057	94.0
83.04972	8.2
83.08624	19.3
85.06545	3.8
85.10175	2.4
91.05478	100.0
93.07044	90.5
95.04971	26.6
95.08604	62.7
97.06524	12.2
97.10167	12.1
97.58923	2.0
98.22713	4.8
99.08072	5.9
103.05462	4.5
105.04513	6.6
105.07029	95.3
107.04949	7.5
107.08594	57.8
107.09115	1.2
109.06512	8.9
109.10149	25.4
111.08084	4.7
112.55144	2.1
115.05454	7.0
117.07006	40.8
119.08580	66.7
121.06512	5.5
121.10143	30.4
123.08068	4.3
123.11681	8.8
125.09615	8.6
128.06219	6.4
129.07007	29.3
130.07811	2.4
131.08572	47.0
133.10129	47.6
135.08046	6.0
135.11699	19.4
137.09604	4.0
141.06964	7.9
142.07773	5.4
143.08575	25.7
144.09346	2.0
145.08995	2.4
145.10127	37.4
147.08011	3.1
147.11681	39.4
149.09610	11.9
149.13275	11.2
151.11111	2.7
153.07005	2.5
153.12796	2.3
154.07782	3.3
155.08530	17.6
157.10129	23.4
159.11694	25.3
161.09683	1.9
161.13258	19.0
163.11133	7.5
163.14799	3.5
165.06943	2.4
167.08566	8.1
168.09393	3.7
169.10127	18.1
171.11661	19.7
173.11826	4.1
173.13249	13.5
175.14804	10.0
177.12700	3.4
179.08574	2.6
181.10147	6.1
182.10919	2.4
183.11691	16.8
185.13254	18.7
187.14822	6.2
189.11307	4.0
189.12746	3.0
189.24846	2.3
193.10086	3.4
195.11670	10.8
197.13281	11.2
199.14850	7.3
201.16431	2.7
207.11673	6.2
209.13220	7.4
211.14848	7.7
213.16350	6.7
215.18082	2.4
219.17491	2.6
221.13211	5.8
223.13062	3.8
223.14967	4.6
225.16275	3.7
227.12810	6.1
227.18068	3.6
235.14745	2.5
237.16335	4.7
239.18123	4.0
241.19450	13.6
247.20479	2.9
255.15851	9.5
257.16644	2.0
257.19083	11.2
259.20572	36.6
262.17773	2.3
269.17410	4.7
273.18512	3.7
275.20053	22.8
293.21222	6.5
297.22064	3.0
313.21866	2.3
315.23209	7.2
325.20987	2.8
331.23129	3.7
333.24289	36.2
341.24609	4.1
349.23682	11.3
363.26978	2.6
367.24890	3.1
409.17453	6.2
410.17715	9.0
421.31055	4.6
433.29761	2.4
435.32568	2.4
447.32193	3.0
453.33948	2.9
501.35803	2.9
513.35938	19.5
515.38379	7.1
527.37585	14.3
527.44550	2.5
533.40302	3.0
539.37305	5.5
551.41046	3.0
553.39215	3.5
567.40344	4.6
607.43622	30.7
608.44012	2.8
622.23126	4.0
625.44440	28.4
678.30096	43.3
678.41174	4.9
679.30627	4.9
679.40808	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.01869	7.3
55.05514	36.6
57.03440	13.1
57.07060	4.1
59.00731	2.4
62.48738	2.4
65.03944	5.9
67.05504	86.5
69.07070	32.3
70.73138	4.0
71.04997	7.6
77.03926	6.1
79.05492	79.4
81.03428	4.8
81.07054	100.0
83.04975	8.5
83.08619	21.0
85.06576	4.2
91.05481	83.0
93.07043	75.2
95.04984	16.6
95.08599	60.8
97.06533	13.4
97.10164	6.7
98.23382	4.0
99.08101	4.6
105.02531	2.8
105.04488	5.7
105.07025	69.5
107.04938	5.0
107.08591	48.2
109.06548	5.8
109.10154	18.3
111.08071	5.8
115.05469	6.0
117.07019	32.8
119.08572	55.9
121.06465	3.7
121.10141	34.2
123.08005	5.3
123.11726	6.8
125.09590	2.7
128.06226	4.6
128.51462	2.6
129.07018	20.8
131.08572	42.8
133.10129	45.0
135.08073	6.6
135.11711	26.9
137.09578	7.4
138.05705	2.6
141.06912	6.3
142.07764	6.2
143.08578	22.7
145.10124	34.9
147.11685	33.0
149.09592	7.8
149.13258	10.6
155.08548	11.0
157.10104	20.4
159.11713	28.8
161.13237	17.7
163.11180	5.5
163.14864	4.7
165.12733	4.0
167.08611	4.0
169.10170	13.4
171.11690	21.6
173.13298	12.3
175.14882	7.6
181.10065	4.8
183.11716	11.7
184.07407	13.3
185.13277	11.4
187.14882	7.1
193.10191	2.7
195.11731	5.6
195.13791	2.7
197.13287	6.6
199.14845	6.7
200.45287	2.7
201.16400	4.3
209.13332	7.4
211.14821	5.5
213.16521	2.7
223.14835	4.0
225.16504	3.1
235.14853	3.4
239.17996	4.3
241.19579	10.6
244.53529	3.1
255.15839	13.1
257.19034	2.9
259.20575	33.1
261.21945	2.8
267.15704	4.2
269.17456	11.4
275.20029	22.4
283.20560	3.3
311.20004	4.1
315.23260	5.6
333.24265	33.7
349.23816	9.6
353.24698	3.2
367.25058	3.3
423.32498	4.4
435.32227	5.8
439.32413	3.1
494.02393	3.0
513.35785	13.5
515.37695	4.5
525.35950	3.5
527.37201	30.8
528.37439	4.1
545.38727	3.9
607.43378	22.3
625.44537	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
54.53928	3.9
55.01871	8.2
55.05511	56.9
57.03432	6.8
57.07068	4.2
60.55589	3.8
67.05502	67.8
69.03428	6.4
69.07068	28.0
69.11385	25.6
71.04987	7.5
77.30437	3.4
77.89988	3.3
79.05492	68.6
81.07056	62.2
83.04977	5.2
83.08612	28.3
85.06559	4.9
89.05986	4.5
91.05478	64.3
93.07045	60.7
95.04984	12.3
95.08605	41.1
97.06571	8.2
97.10172	42.2
98.23431	7.7
103.05481	3.9
105.07036	71.0
107.04984	3.5
107.08595	57.5
109.06519	8.2
109.10155	28.6
111.08045	4.9
117.07017	26.3
119.08586	46.3
119.93317	3.1
121.06475	4.6
121.10158	21.5
123.11683	17.8
125.09637	32.6
128.06233	6.0
129.06973	17.8
131.08598	30.8
133.08569	3.8
133.10114	39.9
135.08109	5.2
135.11693	14.9
141.06950	5.6
143.08562	23.2
145.10127	31.9
146.31981	3.3
147.11699	29.8
149.09608	8.1
149.13258	6.3
155.08578	9.3
157.10109	16.5
159.11676	24.2
161.13257	16.3
169.10170	13.2
171.11684	25.5
173.13290	9.8
175.14851	7.3
181.10202	4.6
183.11720	14.2
185.13258	20.8
187.13327	6.5
187.14795	7.3
189.11237	15.6
195.11746	9.1
197.13228	14.2
199.14824	9.9
201.16440	4.4
209.13197	7.5
211.14824	8.2
225.16386	8.2
227.12840	36.5
227.15086	4.9
227.17830	4.9
237.16376	6.0
239.18135	7.0
241.19496	14.4
243.15868	10.5
245.13799	3.7
253.19449	4.5
257.19125	4.4
259.20490	25.2
275.20117	12.9
291.19644	4.7
315.23221	4.7
333.24387	16.9
349.23883	12.5
350.23923	4.1
365.28363	21.5
381.31223	7.2
383.29376	5.4
421.30762	7.5
439.32025	4.8
485.32550	5.6
503.33560	10.7
513.35748	27.4
515.38763	9.0
533.39862	14.1
550.70953	4.0
607.43542	55.8
608.43622	6.7
625.44598	100.0
626.44641	9.5
678.27325	11.2
678.38867	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.8
53.03951	6.5
55.01885	8.7
55.05513	41.4
57.03437	16.5
57.07078	5.6
65.03938	6.6
67.05506	96.0
69.03436	4.1
69.07071	34.9
70.73325	2.7
71.04995	5.4
77.03938	3.4
78.21583	1.4
79.05494	87.9
80.05833	2.0
81.03434	5.4
81.07058	100.0
83.04980	11.1
83.08619	17.2
85.06551	3.7
91.05482	97.5
92.79060	1.7
93.07045	91.8
94.07369	1.6
95.04966	17.6
95.08607	51.7
97.06518	9.9
97.10188	6.2
99.08129	3.7
103.05466	3.4
105.04548	7.4
105.07028	84.4
107.04939	4.2
107.08601	52.2
107.09340	2.5
109.06541	7.1
109.10159	20.3
111.08094	4.3
115.05437	2.8
117.07020	34.1
119.08578	61.9
121.06503	3.8
121.10148	26.5
123.08097	3.9
123.11731	5.6
125.09630	3.6
128.06247	4.5
129.07004	19.3
130.07744	3.1
131.08574	38.6
133.06535	2.5
133.09166	3.3
133.10135	40.8
135.08057	3.6
135.11691	22.7
137.09628	3.3
139.11191	3.1
141.05969	1.6
141.07011	7.0
142.07800	4.1
143.08559	19.1
145.06458	2.3
145.10123	30.4
147.08086	2.8
147.11691	30.4
149.09648	4.1
149.13271	12.1
151.11191	3.0
153.06982	1.9
155.08536	8.7
156.09303	1.9
157.10139	18.7
159.08044	2.4
159.11696	25.0
161.09662	2.5
161.13251	15.3
163.11171	5.0
163.14865	2.5
165.12802	2.0
167.08629	4.4
168.09393	1.5
169.10110	10.7
171.11702	13.9
173.13263	13.4
175.11163	2.7
175.14786	8.6
177.12802	2.3
179.08505	2.1
179.67044	1.5
181.10172	3.3
182.11032	1.8
183.11719	7.4
185.13261	10.2
187.14815	4.6
189.12746	2.2
192.63618	1.7
193.10168	2.4
195.11716	3.6
195.13834	3.0
197.11719	1.7
197.13278	8.0
199.13232	1.7
199.14871	6.6
201.16405	1.8
207.11769	2.3
209.13272	3.6
211.15028	2.1
213.16452	1.7
215.14413	1.7
215.17938	1.6
223.14903	3.5
225.16270	1.8
231.21135	3.6
237.16299	3.9
239.17924	1.7
241.19554	16.7
243.21140	1.9
253.14412	2.6
255.15886	15.6
257.19003	6.3
259.20584	41.1
267.15823	3.4
269.17288	12.7
273.18622	2.2
275.20102	14.5
276.20364	1.7
277.21500	3.7
289.82852	1.5
315.23312	6.7
333.24258	38.0
335.25934	3.2
347.22205	1.6
349.23834	6.0
351.25162	1.9
355.26385	1.8
365.23489	2.0
367.24893	5.1
417.31409	2.8
421.31088	2.6
423.32663	2.7
435.32419	5.0
439.31790	1.6
453.33548	4.8
461.35547	1.8
471.34222	1.8
489.35855	3.0
501.35440	1.9
513.36121	11.9
515.37445	6.2
527.37378	29.5
533.40131	3.0
545.38007	5.0
583.55719	2.0
607.43628	11.5
625.44696	15.2
626.45313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
53.03946	3.4
55.01870	6.1
55.05511	21.9
57.03432	12.0
57.07070	3.2
65.03930	3.3
65.57527	1.3
67.05505	54.6
69.03419	2.5
69.07069	26.9
70.72757	1.7
71.04983	4.5
74.21131	1.4
76.20058	1.2
77.03933	1.9
79.05040	3.2
79.05491	54.6
80.04742	1.3
81.03410	3.7
81.07056	100.0
82.07383	1.8
83.04971	6.3
83.08622	16.1
85.06548	1.8
91.05481	57.4
93.07042	54.9
95.04404	1.8
95.04962	13.1
95.08607	41.3
95.58762	1.4
97.06522	8.6
97.10131	4.1
99.08098	3.1
105.04526	2.4
105.07031	59.6
107.04959	6.9
107.08591	32.9
109.06524	17.8
109.10158	19.2
111.08061	5.2
113.05980	2.2
115.05480	1.9
117.07014	18.0
119.08575	48.3
121.06532	3.8
121.10146	24.4
123.08019	6.7
123.11705	7.7
125.09620	3.2
127.07543	2.1
128.06203	1.8
129.07016	8.4
131.08563	26.4
133.10123	35.3
135.08083	4.5
135.11681	16.9
137.09656	2.6
139.11177	2.1
141.07014	2.6
143.08575	8.0
145.10114	23.4
147.08116	1.8
147.11693	39.1
148.01518	1.5
149.09578	8.0
149.13263	11.8
151.11218	3.5
155.08556	2.2
157.10155	11.8
159.08092	1.8
159.11720	16.2
161.09612	3.1
161.12027	2.3
161.13245	18.7
163.11148	9.6
163.14847	2.6
165.12735	5.6
169.10114	3.4
171.11682	10.2
173.09669	3.0
173.13315	9.2
175.11159	3.5
175.14819	5.8
177.12753	2.7
183.11655	2.3
185.09419	1.8
185.13261	6.3
187.14833	3.5
191.14249	2.0
193.12276	2.2
195.13708	1.8
197.13309	1.8
199.14883	4.5
207.13835	2.2
213.16397	2.7
215.18004	1.7
219.13927	2.4
219.17451	2.1
226.44800	1.4
229.19652	1.7
231.17416	1.7
231.21095	4.1
239.18031	3.1
241.19554	15.2
247.20711	1.6
257.19022	7.4
259.20575	42.7
273.18539	3.2
275.20056	42.2
277.21542	2.2
293.20996	10.6
298.66125	1.4
315.23355	8.0
333.24228	66.2
334.24582	3.3
335.25702	4.7
349.23749	9.7
351.25333	2.2
365.23306	3.2
367.24802	34.8
515.37732	2.8
527.37067	1.4
533.39313	3.3
551.41034	2.9
607.43604	9.2
625.44574	24.9
626.44305	1.6
643.45270	4.3
678.29950	1.7
679.41425	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.2
51.48944	2.0
53.03947	3.8
53.15789	2.1
54.05451	1.8
55.01867	6.1
55.05260	2.7
55.05513	40.8
57.03432	15.8
57.07071	3.2
64.67532	1.8
65.03934	8.8
67.05503	98.2
68.05824	2.0
69.03418	5.2
69.07069	38.2
71.04974	6.8
73.48323	2.2
77.03920	3.0
79.05491	87.5
81.03402	2.4
81.07055	91.1
83.04981	10.2
83.08614	22.2
85.06535	4.0
85.49761	2.4
91.05482	90.4
91.06064	4.8
93.07044	100.0
95.04963	18.4
95.08606	62.3
97.06550	10.2
97.10173	19.0
99.08077	6.2
103.05455	2.9
105.04536	4.7
105.07027	95.0
107.04936	6.9
107.08588	61.4
109.06483	6.6
109.10159	32.9
111.08076	6.5
115.05448	4.6
117.07018	33.8
119.08586	55.0
121.06524	2.8
121.10143	36.0
123.08063	6.4
123.11710	10.4
125.09647	12.7
128.06212	5.6
129.07004	24.4
130.07790	2.3
131.08569	47.1
133.09166	4.5
133.10117	49.6
135.08057	5.8
135.11679	22.3
137.09589	4.2
139.11227	1.9
141.07010	8.0
142.07765	7.1
143.08575	24.7
144.09236	3.0
145.10129	40.1
147.08044	2.6
147.11667	34.3
149.09642	10.3
149.13248	12.2
151.11169	4.7
155.08549	14.7
156.09320	3.4
157.10130	22.1
159.11674	33.4
161.09622	3.3
161.13261	20.5
163.11172	6.8
165.12750	4.4
167.08495	3.8
169.10091	15.5
171.11681	20.0
173.11835	3.4
173.13242	16.4
175.11116	5.5
175.14844	8.4
177.12776	2.4
180.09361	2.1
181.10101	5.7
182.10843	2.2
183.11685	13.3
184.07376	5.9
185.13243	18.1
187.11275	3.4
187.14848	8.5
189.11269	6.0
189.12794	2.8
193.10213	2.9
195.11713	7.6
197.13232	16.4
199.14751	11.8
203.17934	2.3
207.11699	3.6
208.30241	2.3
209.13222	8.6
211.14857	6.7
213.16452	3.8
217.15863	2.8
219.17328	2.1
223.14874	7.0
225.16400	6.2
227.12776	9.6
227.18002	3.4
228.84793	2.7
229.14304	5.1
229.19479	3.4
237.16328	4.2
239.18018	6.3
241.19579	16.4
255.15935	6.9
257.19003	9.2
259.20547	29.3
261.22186	3.0
267.15848	2.8
269.17529	6.9
273.18515	2.6
273.22321	2.2
275.20020	20.6
277.21713	3.9
287.20352	2.5
291.19562	3.3
295.20596	2.2
313.21851	2.9
315.23138	6.6
322.97263	2.1
331.22580	2.5
333.24295	40.9
337.24881	2.5
349.23676	11.8
353.24695	3.6
367.25208	3.9
421.30988	3.0
435.32660	4.2
439.32211	3.5
473.33844	2.5
485.33060	2.7
503.33926	2.5
513.35699	23.2
515.37909	3.9
527.37372	26.1
533.39728	8.2
538.35980	2.8
545.38281	4.3
551.40826	3.8
567.40692	10.1
607.43506	29.5
608.42383	2.8
625.44580	30.7
626.43909	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	679.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04528	1.2
69.03416	1.6
69.71607	2.5
70.06586	2.1
74.43901	0.7
80.05001	1.7
81.03405	1.8
84.04501	19.9
96.04493	13.3
96.40212	0.7
97.02888	3.2
98.06049	7.4
99.04436	1.5
102.05536	3.0
108.16741	0.7
109.02876	3.3
110.06026	0.8
116.07069	3.6
126.05506	29.5
127.03906	1.3
130.05014	2.5
138.05493	100.0
139.05835	1.3
144.06544	17.9
148.06032	14.2
168.06552	19.8
186.07602	18.1
188.31372	0.8
204.08672	25.8
222.09755	0.7
258.09787	1.1
291.11841	7.9
301.13812	5.9
329.13397	26.0
347.14175	1.2
351.10303	1.3
363.68600	0.7
422.52295	0.8
426.46704	0.8
476.18741	5.3
496.19144	1.5
585.36017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05510	14.5
55.30458	1.2
57.03433	5.3
57.07085	9.2
57.98055	1.4
61.02926	18.5
67.05505	74.8
69.03422	2.4
69.07069	23.2
69.22784	3.2
69.23174	2.9
71.05009	2.6
71.08633	5.6
73.02912	8.9
79.05491	18.3
81.03417	2.0
81.07055	79.7
82.07369	1.2
83.04969	1.4
83.08615	18.7
85.02903	28.0
85.06552	3.0
85.10166	3.3
91.03958	22.9
91.05469	15.0
93.07047	25.1
95.04997	1.7
95.08604	70.9
97.02898	12.4
97.06537	6.6
97.10165	12.0
99.04456	1.2
99.08115	2.9
100.11268	1.5
105.07022	11.2
107.08588	19.2
109.10162	36.6
109.10896	2.4
111.08083	4.1
111.11725	3.8
113.09598	1.8
119.08587	12.5
121.10139	19.3
123.11711	19.2
125.09660	1.8
126.57512	1.1
127.03909	6.0
127.11195	1.6
133.10121	13.1
135.11697	11.8
137.09647	2.1
137.13251	6.2
139.11223	1.4
141.12762	5.2
145.04964	12.6
147.11685	10.2
149.13237	11.4
151.14813	7.4
155.14296	3.5
161.13264	17.2
163.06023	21.3
163.14832	10.7
165.16379	10.4
167.14363	2.4
175.14795	12.8
177.16385	2.3
179.17938	9.0
189.16396	5.8
203.17960	2.0
217.19572	2.3
245.22649	69.6
246.22931	3.0
262.18704	1.7
263.23697	100.0
264.24091	3.7
265.25165	1.3
281.24799	2.6
283.38754	1.3
310.30325	1.3
337.27353	50.4
338.27701	3.0
355.28461	5.0
499.31989	2.0
679.51581	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	679.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49316	0.6
53.03951	1.8
55.01871	1.3
55.05510	21.1
57.03435	7.5
57.07075	12.2
60.25298	0.6
61.02926	20.4
65.03924	1.9
65.61704	0.7
65.96084	0.7
67.05502	81.0
68.05827	0.7
69.03419	2.2
69.07066	30.5
71.04990	2.5
71.08626	7.1
72.75959	0.7
73.02916	9.1
75.04456	0.9
77.03912	0.8
79.05488	23.2
80.83553	0.6
81.03407	2.2
81.07053	100.0
82.07356	1.6
82.30511	0.6
83.04990	2.1
83.08617	24.1
83.53228	0.6
85.02904	20.3
85.06532	3.0
85.10187	2.5
91.03384	1.1
91.03955	20.1
91.05473	18.1
93.07042	28.4
95.04972	2.3
95.08604	86.9
96.08939	1.5
97.02895	9.1
97.06519	8.1
97.09589	1.3
97.10168	16.9
99.04463	1.3
99.08083	4.4
103.03912	0.8
105.04556	0.9
105.07025	12.5
107.08593	19.7
107.11900	0.6
109.10155	45.6
111.08089	4.4
111.11714	4.3
113.09645	2.9
115.03943	1.0
119.08578	15.7
121.09272	1.1
121.10142	22.0
121.10980	1.3
123.08041	0.9
123.11705	19.7
125.09633	3.1
127.03910	6.0
127.11234	1.8
131.08562	0.8
133.10130	15.8
135.11682	14.0
135.12650	1.1
136.11996	0.7
137.09616	2.6
137.13245	9.5
139.11212	1.3
141.12740	3.6
145.04955	9.0
147.11682	12.6
149.13248	13.5
151.11221	1.4
151.14803	8.5
153.12779	1.3
154.18796	0.6
155.14288	3.3
161.13254	16.3
163.06007	11.9
163.14824	10.7
165.12759	0.9
165.16391	9.6
167.14322	1.4
171.14035	0.7
175.14798	10.6
177.16396	2.8
179.14316	1.3
179.17924	7.3
181.15933	1.9
189.16359	5.2
193.15865	1.9
203.17989	2.6
207.17442	1.5
217.19461	1.7
218.03955	0.6
238.79185	0.7
245.22643	65.7
246.23013	2.8
263.23694	97.6
264.24048	3.7
265.25241	2.3
281.24710	1.9
305.00735	0.7
337.27356	70.4
338.27789	3.2
355.28381	10.9
371.26114	0.8
389.27060	0.8
463.30588	1.0
481.31366	1.5
499.32703	6.8
583.07532	0.8
602.23956	0.8
636.10382	0.8
661.37518	0.9
679.51410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.6
57.03438	1.9
61.02924	6.4
67.05509	6.0
67.24401	0.7
68.16375	0.9
69.03429	2.6
69.07079	1.2
70.95922	1.2
71.16904	0.7
73.02909	4.3
79.05503	3.5
81.03424	1.8
81.07058	4.6
83.04997	1.2
83.08613	2.0
85.02914	6.7
85.11442	0.9
91.03961	4.6
91.05466	1.4
93.07055	3.7
95.05009	1.5
95.08646	4.0
97.02898	6.3
97.06487	0.8
97.10162	3.0
99.04453	1.3
101.02402	1.9
105.07017	1.2
107.08619	2.7
109.10169	2.7
121.10150	1.4
125.09645	1.8
127.03893	1.5
131.08574	1.1
133.56688	1.0
140.07069	1.1
145.05002	1.0
165.12816	0.9
185.04221	0.9
237.33052	0.9
243.08405	2.0
335.25803	1.2
401.17847	5.5
519.29376	8.5
679.40155	100.0
680.40552	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	679.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12296	0.3
52.44172	0.3
53.37988	0.2
55.05509	0.3
55.70987	0.2
56.08114	0.3
69.36786	0.2
71.37846	0.2
77.00906	1.4
79.05482	0.7
81.07061	1.0
91.05463	0.4
93.07069	0.4
95.01961	0.4
95.08659	0.3
100.11306	0.3
104.57896	0.3
107.08620	0.3
109.06607	0.3
109.10143	0.3
123.36964	0.2
131.01912	0.3
173.06685	0.3
185.06642	0.9
197.10262	1.4
201.09744	0.8
202.41879	0.3
209.10191	0.5
213.09793	0.7
215.11325	4.1
217.10953	0.4
219.10915	0.3
223.11858	0.4
225.13402	0.6
227.11343	0.6
231.10838	0.3
233.12311	0.5
235.11905	0.9
239.11414	1.0
241.12965	0.8
243.14420	2.6
245.12486	0.3
253.12830	6.5
257.12454	0.8
263.11188	0.5
264.12030	0.7
271.13916	4.5
281.12543	1.1
291.18268	0.5
315.18100	1.8
331.77402	0.3
333.19064	5.3
334.19736	0.4
351.21356	100.0
352.21649	2.9
369.21194	4.6
392.23010	1.0
464.28598	0.6
563.33722	0.3
679.44012	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03940	3.9
55.01868	3.8
55.05254	1.7
55.05512	26.0
56.08464	1.1
57.03435	13.5
57.07082	2.4
59.04985	1.8
65.03938	4.0
67.05506	100.0
68.00587	1.1
68.05824	1.3
69.07069	24.6
71.04995	5.8
71.11100	0.9
79.05496	56.0
81.03408	1.7
81.07057	79.0
83.04972	4.6
83.08621	16.2
85.06538	3.4
91.05479	37.8
91.06058	1.6
93.07047	63.0
95.04977	7.3
95.08606	51.1
97.06530	7.5
97.10165	10.0
99.08052	2.0
105.04527	2.9
105.07034	30.5
107.04951	3.1
107.08595	39.6
109.06517	6.6
109.10159	43.6
111.08084	4.7
117.07019	12.8
119.08580	22.8
121.06572	2.6
121.10144	23.8
123.08066	1.7
123.11706	7.5
125.09637	8.5
129.07018	2.9
131.08571	16.0
133.10124	18.4
135.08092	3.0
135.11699	16.9
137.09608	4.2
137.13181	1.5
141.07014	1.3
143.08583	3.0
145.10130	14.6
147.11696	11.2
149.09644	4.9
149.13275	13.4
151.11157	1.4
155.08597	1.6
155.10651	3.4
157.10130	3.1
159.11694	11.5
161.13225	5.4
163.11174	4.1
163.14839	2.5
165.12779	1.4
169.10184	1.7
171.10292	1.3
171.11678	3.2
173.11732	9.1
173.13263	6.6
175.14806	2.0
176.84903	1.0
177.12738	3.0
185.13237	1.8
187.14740	1.6
189.11195	3.6
195.13780	2.2
197.13235	1.8
201.16347	1.5
227.12762	11.6
229.14334	40.9
229.19389	2.0
233.18939	1.1
239.17776	1.3
243.21088	4.1
247.20634	1.4
257.18964	4.7
261.22040	12.7
267.15970	1.7
269.17496	23.0
275.20065	26.3
293.21124	3.4
317.24731	3.2
335.25800	93.0
336.26147	3.1
349.23706	17.4
367.24619	9.4
437.34290	1.5
471.34787	1.7
489.35730	28.0
490.35614	1.7
505.35776	1.7
507.36792	2.7
529.38873	40.5
530.38757	3.8
535.41895	1.1
569.41968	2.8
609.45050	20.7
610.44623	1.4
627.45947	11.8
628.46680	1.4
680.41138	2.5
681.43292	9.1
687.83008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.7
55.01870	3.7
55.05512	22.2
55.28210	1.1
57.03442	13.8
57.07066	3.2
59.04999	1.5
65.03934	4.2
67.05505	96.9
68.05821	1.4
69.03431	1.6
69.07068	24.7
71.04991	4.1
71.08629	1.6
71.10845	1.4
77.03958	1.5
79.05491	48.4
81.07057	68.9
83.04995	4.4
83.08633	12.4
85.06535	3.5
91.05476	32.2
93.07047	50.7
93.73418	1.2
95.04955	8.0
95.08609	47.6
97.06525	7.6
97.10175	8.5
99.08070	1.5
103.05467	1.6
105.04541	2.8
105.07021	24.5
107.04959	3.0
107.08595	34.1
109.06514	4.1
109.10155	47.1
111.08086	5.3
117.06989	7.8
119.08575	19.9
121.06548	1.6
121.10146	18.7
123.08118	1.7
123.11684	8.0
125.09607	7.3
129.07008	2.3
130.07739	1.3
131.08578	13.7
133.10138	16.6
135.08011	1.3
135.11685	13.7
137.09605	2.5
143.08546	2.1
145.10121	13.5
147.08025	1.2
147.11690	8.9
149.09642	4.0
149.13258	8.0
151.11179	1.5
155.08528	1.6
155.10675	3.3
157.10123	2.6
159.11688	10.8
161.13234	6.9
163.11200	3.8
163.14873	4.0
169.10136	2.0
171.11708	2.4
173.11763	8.2
173.13293	6.7
175.14838	2.7
175.35623	1.1
177.12758	1.9
179.14381	1.6
183.11729	2.3
184.70924	1.1
185.13397	1.6
185.81090	1.1
187.14799	3.1
189.11223	3.2
195.13776	1.8
197.13242	1.8
199.14842	1.7
201.16388	2.0
227.12773	9.1
229.14340	37.8
229.19524	1.5
230.15016	1.3
239.18022	2.0
241.19499	1.4
243.20964	5.5
257.19009	4.7
259.20538	1.8
261.22183	17.1
269.17456	16.9
275.20041	22.5
293.21100	2.8
317.24765	3.0
331.22775	1.7
333.24136	2.5
335.25806	100.0
336.26013	7.3
349.23743	15.6
367.24670	8.1
482.16202	1.4
484.52014	1.2
489.35782	29.9
490.36316	2.3
505.34967	3.8
507.36655	2.9
511.38150	1.6
515.37122	1.5
527.37335	1.9
529.38916	34.2
530.38824	2.0
609.44983	19.8
610.45068	1.7
627.46368	11.9
628.46710	2.2
681.43445	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	683.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06770	1.5
55.05510	1.9
63.24514	1.8
67.05515	3.4
69.08614	4.2
69.09010	10.1
70.42632	1.7
79.05499	2.4
81.07062	4.1
93.07035	2.1
94.57061	1.6
95.08614	2.9
101.76170	1.8
107.08606	2.3
109.07368	1.8
109.10137	2.1
111.73286	1.9
146.31319	1.7
268.60959	1.8
308.54749	1.8
349.20056	2.0
371.94772	1.9
487.33762	2.0
683.43115	100.0
684.43353	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	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05507	0.7
57.03436	0.2
67.05508	1.6
69.07072	0.9
77.32871	0.2
79.05498	2.0
81.07059	1.3
83.08611	0.2
86.10043	0.3
91.05479	1.4
93.07040	2.1
95.04977	0.5
95.08592	1.2
97.06500	0.3
104.79565	0.2
105.07055	0.9
107.08620	1.0
109.10137	0.3
117.07047	0.5
119.08611	0.9
121.10162	0.9
129.05542	0.2
129.07117	0.3
131.08603	0.4
133.10136	0.6
133.66534	0.2
135.11714	0.6
139.03702	0.4
145.10115	0.5
159.11720	0.3
175.08301	0.2
247.13159	0.4
303.15729	0.4
317.20926	1.3
333.20322	6.1
333.24246	0.5
373.23450	1.4
389.22992	3.7
461.25229	0.4
683.44897	100.0
684.33643	0.5
684.45288	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	683.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50088	0.3
55.01864	0.4
55.05508	1.3
57.03442	0.7
65.01824	0.3
65.98719	0.3
67.05505	2.9
69.07078	1.1
69.88960	0.7
69.89277	0.3
76.16576	0.3
77.03875	0.3
79.05502	3.3
81.07053	3.2
83.04978	0.4
91.05467	3.1
93.07043	3.4
93.43967	0.3
95.04980	0.8
95.08609	1.1
105.04522	0.5
105.07055	2.0
107.08591	1.7
109.10172	0.4
117.07081	0.6
119.08598	1.2
121.10156	1.1
122.45699	0.3
123.14477	0.3
129.07025	0.4
131.08572	0.7
133.10156	1.0
135.11658	0.6
143.08594	0.3
147.11743	0.5
149.13231	0.3
150.04559	0.3
221.11380	0.3
241.45894	0.3
251.62733	0.3
273.18112	0.3
317.21002	0.7
333.20352	6.2
333.24298	0.3
346.03265	0.3
373.23578	0.8
375.31879	0.4
389.23038	4.3
461.25403	0.6
585.37482	0.3
613.36621	0.4
656.42462	0.3
683.44940	100.0
684.45276	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	683.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05508	0.9
57.03425	0.7
63.64930	0.2
67.05500	2.9
69.07076	1.4
79.05489	3.5
81.03441	0.3
81.07058	3.4
83.04993	0.4
83.08636	0.4
91.05451	1.9
93.07050	4.2
95.04974	0.6
95.08606	1.8
97.06548	0.5
97.10128	0.4
98.23456	0.5
105.04514	0.3
105.07036	2.0
107.08599	2.0
109.06518	0.4
109.10168	0.6
111.20621	0.3
117.06980	0.5
118.97171	0.3
119.08570	1.6
121.10152	0.8
131.08551	0.5
133.10178	1.1
135.11668	1.0
139.03571	0.3
140.57390	0.3
145.10098	0.5
147.11713	0.5
159.11766	0.4
177.49750	0.2
221.11493	0.5
235.12981	0.3
251.12599	0.6
317.20932	1.0
325.39215	0.3
333.20352	7.0
333.24280	0.6
373.23499	1.4
389.22919	3.4
461.25204	0.4
585.37500	0.7
651.24805	0.3
683.44897	100.0
684.45251	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	683.4492
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05519	1.0
57.03444	0.5
67.05498	2.5
69.07080	1.0
70.41902	0.4
79.05483	2.2
81.07050	3.0
83.08537	0.4
91.05469	2.1
93.07056	2.6
95.05010	0.6
95.08637	1.3
98.22683	0.6
105.07034	1.5
107.08613	1.2
109.10185	0.5
117.73212	0.4
119.08628	1.5
121.10166	0.5
131.08655	0.7
133.10190	1.4
147.11707	0.8
173.13304	0.5
193.22427	0.5
217.26035	0.4
263.12732	0.5
280.98792	0.5
287.37302	0.4
317.20859	1.0
333.20355	10.6
333.24286	0.6
373.23584	1.0
389.22897	3.7
613.36938	0.6
676.45337	0.5
683.44855	100.0
684.45129	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	683.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64645	0.2
55.05510	0.5
58.99864	0.4
61.94286	0.2
66.93667	0.3
67.05496	0.4
70.06616	0.3
77.00900	2.0
79.05486	0.3
79.71156	0.2
81.07065	0.6
83.08586	0.3
86.07956	0.3
95.01955	0.9
103.40760	0.3
146.28357	0.3
147.04477	0.3
150.83652	0.3
187.08235	0.4
197.10300	1.1
201.09689	0.6
213.09753	0.7
215.11298	4.6
223.11864	0.4
225.13365	1.7
227.11365	0.7
231.10823	0.6
233.12428	0.6
235.11952	0.9
239.11345	0.5
241.12915	0.7
243.14417	4.5
253.12881	6.5
253.15474	0.5
254.13385	0.4
257.12320	0.3
261.15479	0.7
271.13904	5.0
276.14423	0.5
317.19702	2.3
335.20703	8.0
346.24634	0.3
353.22946	100.0
354.23322	2.6
358.22260	0.6
368.20065	0.3
371.22772	11.0
372.23065	0.5
376.23550	0.3
394.24295	1.9
565.35791	0.9
665.44495	0.4
683.33990	1.5
683.47290	3.7
688.18469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72833	0.3
53.03945	1.9
55.05510	2.2
56.05031	1.9
57.03438	5.2
58.06604	1.1
59.05008	0.4
61.02922	0.4
63.09586	0.3
63.84386	0.3
67.05515	1.6
69.03431	6.3
69.07068	2.3
69.71177	0.6
69.71553	0.7
70.06609	1.1
71.04990	1.6
72.04521	1.1
72.08159	6.8
73.02919	1.7
73.04776	0.3
79.05481	1.6
81.03417	5.7
81.07050	2.9
83.04987	1.1
83.08614	0.3
84.08162	0.9
85.02905	13.3
86.09695	0.7
91.05467	0.6
93.07053	1.1
95.04996	0.7
95.08595	2.1
97.02891	5.0
97.06532	2.2
98.09695	18.0
98.23315	0.4
99.04460	10.2
99.08091	1.9
102.09153	0.5
102.56089	0.3
103.03948	7.7
105.07019	0.5
107.04951	6.6
107.08622	0.4
109.02879	6.5
109.10146	0.5
113.09678	1.0
115.03906	0.3
117.06992	0.3
119.08578	0.4
121.06490	0.6
124.11239	0.6
125.09651	0.5
127.03915	18.3
129.07033	0.5
131.04976	0.8
133.06487	3.6
135.11719	0.4
138.82228	0.3
142.12271	9.4
142.13354	0.6
145.04962	3.2
145.06577	0.4
147.08041	4.5
150.01620	0.3
158.15437	0.6
159.08081	0.6
161.09613	0.7
169.05005	0.3
185.09587	0.3
187.06085	1.3
215.91882	0.3
271.08304	0.4
307.26480	0.6
325.27274	0.4
360.28891	6.0
361.29138	0.3
363.80493	0.3
378.30051	7.8
378.34598	0.4
463.76288	0.3
475.40836	0.3
604.37964	1.7
606.36285	0.8
622.39471	2.0
624.37445	0.9
666.38226	1.6
684.39514	100.0
685.40009	7.4
700.78778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
53.58773	0.3
55.01875	0.5
55.05519	1.6
56.05029	1.6
57.03434	6.9
58.06597	0.9
61.51696	0.2
63.34278	0.2
65.03944	0.9
67.05500	3.6
69.03422	1.6
69.07070	2.8
70.06590	0.9
70.46735	0.6
71.04993	0.9
72.04507	1.2
72.08154	8.1
73.02903	0.3
79.05493	4.1
81.03416	1.9
81.07061	6.5
83.04976	0.4
83.08626	0.4
84.08148	1.0
85.02909	3.4
85.06530	0.6
85.08911	0.5
86.09711	0.6
91.05479	20.2
93.07034	3.0
95.04988	0.9
95.08608	4.2
96.08120	0.3
97.02898	1.8
97.06525	2.9
98.09690	21.5
98.23352	0.3
99.04462	2.6
99.08083	3.3
102.09189	0.6
103.03925	1.8
103.05461	0.4
105.07027	2.5
107.08589	1.2
109.02885	1.5
109.10166	0.8
111.08100	0.4
113.09669	1.9
115.05469	2.1
115.07561	0.5
117.07016	16.6
118.07384	0.3
119.08596	0.9
121.10161	1.1
124.11282	0.6
125.09660	0.6
127.03917	4.1
128.06242	1.9
128.49255	0.2
129.06999	8.1
131.08568	6.0
133.10129	0.5
135.11656	0.4
141.07004	2.4
142.12273	9.2
142.13365	0.5
143.08556	5.8
143.09612	0.4
145.04955	0.6
145.10158	1.3
155.08568	1.1
156.13901	0.4
157.10124	1.7
158.15443	0.5
167.08612	0.3
169.10179	0.6
181.10173	0.5
183.11705	1.2
185.13234	1.4
187.70349	0.3
195.11525	0.3
197.13263	0.3
271.08313	0.3
285.00980	0.3
322.92920	0.3
324.26813	0.5
342.27899	7.5
360.28937	19.3
361.29395	0.7
376.69241	0.3
378.30014	2.6
622.39923	0.9
666.38239	0.9
684.39471	100.0
685.39752	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	684.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59081	0.3
51.02387	0.3
51.11584	0.3
53.03946	1.0
53.67326	0.3
55.01871	1.0
55.05511	2.8
56.05034	2.3
57.03183	0.4
57.03442	6.4
58.06600	0.7
60.77778	0.3
65.03941	1.2
67.05508	5.9
69.03433	1.8
69.07068	4.7
70.06591	0.8
70.70683	0.5
71.04997	1.4
72.04510	1.9
72.08155	8.4
73.02924	0.8
73.06555	0.4
79.05493	5.3
81.03439	2.3
81.07058	10.4
82.92759	0.3
83.04981	0.7
83.08622	1.0
84.08143	0.5
85.02901	5.0
85.06537	0.7
85.08899	0.4
86.09724	0.6
87.60126	0.3
91.05479	24.7
92.05842	0.4
93.07050	3.4
95.04963	0.8
95.08609	6.9
97.02895	2.6
97.06528	5.9
97.10181	0.7
98.09695	30.9
99.04450	4.2
99.08092	5.5
102.09193	1.2
103.03943	3.5
105.07024	3.7
107.04972	0.6
107.08582	1.7
109.02870	2.1
109.06533	0.4
109.10162	1.3
110.09665	0.4
110.76287	0.3
111.08110	1.0
112.11240	0.4
113.09639	2.8
115.05458	3.3
115.07615	0.9
117.07018	26.8
118.07349	0.5
119.08616	1.2
121.06506	0.6
121.10154	1.3
124.11252	1.1
125.09656	0.9
127.03915	6.6
128.06216	2.6
129.07004	13.3
131.08563	7.0
133.10143	1.3
135.11736	0.8
141.07005	4.0
142.07832	0.3
142.12271	13.9
143.08562	10.4
145.04985	0.9
145.10126	1.6
147.11697	0.5
155.08574	1.3
156.13843	3.4
157.10129	2.8
158.15500	0.6
167.08621	0.3
169.10107	1.8
181.10117	0.7
183.11665	1.7
185.13293	2.3
187.06021	0.5
195.11781	0.9
197.13274	0.3
209.13309	0.6
211.14807	0.6
223.14754	0.4
282.71817	0.3
297.22162	0.5
324.26865	0.8
342.27872	5.7
360.28946	34.8
361.29581	1.2
378.30099	4.2
622.39288	1.6
666.38440	1.3
684.39508	100.0
685.22266	0.6
685.39923	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	684.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92067	0.3
53.03942	0.7
55.01868	1.4
55.05510	1.7
56.05042	1.9
57.03439	7.6
58.06592	0.6
61.02929	3.5
67.05509	5.4
69.03428	12.1
69.07070	4.0
70.06591	16.3
70.43086	0.6
71.01360	0.4
71.04987	3.3
71.06929	0.9
72.04523	1.4
72.08151	7.3
73.02904	2.1
73.04757	0.7
73.06525	0.4
79.05488	4.5
81.03418	4.0
81.07054	10.4
83.01341	0.4
83.04993	0.8
83.08617	1.5
84.04503	0.8
84.08142	2.4
85.02902	23.1
85.06529	1.7
86.09702	5.6
87.04472	2.2
91.03970	1.6
91.05499	1.9
93.07049	4.6
95.04983	0.7
95.08607	7.1
97.02887	9.4
97.03475	0.7
97.06525	5.6
97.10160	0.6
98.06060	0.5
98.09693	18.1
99.04468	2.3
99.08099	3.8
99.23619	0.4
101.02393	0.6
102.05561	0.9
103.03944	0.5
105.07039	1.8
107.08591	4.2
109.02876	3.1
109.06518	0.6
109.10150	2.2
109.17118	0.4
110.07142	0.5
111.04443	0.4
111.08100	1.2
113.07110	0.5
113.09666	1.2
115.03902	0.5
115.07584	0.9
115.08699	0.6
116.74291	0.4
119.08607	1.5
120.04468	3.1
120.08119	0.8
121.02883	0.7
121.10162	3.2
123.11723	0.5
124.11253	0.8
125.09670	0.8
127.03918	5.7
129.10263	0.9
131.08598	0.8
133.10133	1.3
135.11682	2.1
142.12265	13.4
143.08162	0.9
145.04950	1.8
145.10159	0.6
147.11707	1.1
149.13264	1.7
155.11859	0.4
156.13799	0.5
161.13272	0.5
163.14777	0.7
169.13365	0.5
175.14865	0.7
177.05431	0.4
183.14964	1.8
185.09300	1.5
187.14944	0.4
199.10793	0.5
200.11244	0.5
211.14520	1.7
227.10355	1.7
228.10603	0.8
228.13387	0.5
231.09680	0.8
232.10086	0.4
245.11282	0.4
247.12988	0.5
256.12994	1.4
279.23233	0.5
282.09732	0.4
297.24289	0.6
298.48224	0.4
324.29044	0.8
327.16675	1.5
331.02756	0.4
340.18686	0.8
341.18988	0.9
342.30032	7.2
360.31067	21.0
361.31519	0.9
398.20627	0.6
417.05145	0.4
425.27426	0.5
453.27319	0.8
454.27423	1.1
457.26764	1.4
462.30371	0.5
469.23950	0.6
504.35449	3.1
522.36365	30.3
523.37122	1.4
541.29596	0.4
564.37555	0.4
666.37628	1.0
673.81781	0.4
684.41650	100.0
685.41968	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	685.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
57.03431	0.7
62.30186	0.4
67.05505	2.7
69.07062	0.9
69.11600	2.9
72.36786	0.4
79.05499	1.7
79.82722	0.4
81.07063	3.5
83.08621	0.4
91.05466	0.6
93.07069	1.7
95.08619	2.2
105.07071	0.8
107.08594	0.7
109.10198	0.9
120.23859	0.4
121.10163	0.8
135.11705	0.6
159.11642	0.4
169.97433	0.5
256.11490	0.4
333.20535	0.8
335.25931	0.6
351.21396	5.6
407.24179	2.2
651.56372	0.5
685.46460	100.0
686.46771	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	685.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.17358	0.2
57.03438	0.3
63.74430	0.2
67.05504	1.7
69.07072	0.7
69.20264	1.1
70.54387	0.2
79.05502	0.7
81.07077	1.3
90.23658	0.2
91.05502	0.4
93.07056	0.7
95.08592	1.0
98.23438	0.4
105.07080	0.2
107.08606	0.7
109.10181	0.7
119.08590	0.2
121.10168	0.4
121.11444	0.2
123.11769	0.2
145.10088	0.2
149.13257	0.2
171.67960	0.2
292.51022	0.2
335.25766	0.5
351.21408	5.1
351.25433	0.3
368.53629	0.2
407.24054	3.3
511.58646	0.2
685.46454	100.0
686.47009	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	686.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14228	0.2
53.03949	0.5
55.01872	0.5
56.56456	0.3
57.03434	1.3
60.04521	0.4
61.02930	1.9
65.03945	0.7
69.03427	4.7
70.06588	2.6
70.08919	0.3
71.04993	0.6
71.06909	0.3
72.08161	1.1
73.02909	0.5
79.05489	0.5
81.03412	1.5
84.08142	1.0
85.02907	15.6
86.09705	0.6
86.23112	0.3
87.04448	0.3
89.03912	2.4
91.03954	0.7
91.05465	4.5
95.04979	0.4
97.02887	6.0
99.00822	1.0
99.04460	0.9
99.24875	0.3
101.02399	0.3
102.05504	0.3
107.04952	1.7
109.02875	2.5
110.07203	0.4
115.08733	0.3
116.07061	0.6
117.01927	0.2
117.03379	4.0
119.04940	14.5
121.02837	0.3
123.04429	1.4
127.03915	5.2
129.10217	1.3
135.04413	10.6
139.03934	0.3
143.59343	0.3
144.06529	0.6
145.02852	8.4
145.04938	5.8
147.04405	97.4
148.04752	1.6
149.75726	0.3
157.02879	0.3
161.06000	1.4
161.60831	0.3
162.07599	1.1
163.03900	100.0
164.04228	1.9
165.05479	33.3
166.05827	0.4
180.08667	5.2
181.04951	27.2
182.05350	0.5
182.43082	0.2
183.08041	0.8
183.50369	0.2
185.09259	0.3
207.06464	0.6
211.04076	0.3
211.07387	0.6
229.05031	0.3
229.08609	4.8
233.04440	0.3
235.07544	0.7
243.04965	0.4
251.05396	0.3
253.08553	0.5
261.05963	1.2
261.15082	0.2
263.06964	1.3
281.07935	1.1
283.09512	0.4
309.06857	1.6
309.10223	0.6
312.04865	0.8
325.09293	0.8
327.08612	2.0
345.09576	1.7
346.03201	0.3
347.47711	0.3
362.12042	1.3
405.10403	0.4
471.13278	0.3
489.13043	0.4
524.06616	1.5
547.14282	0.3
686.36255	1.0
686.86462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01863	1.1
57.03433	0.6
59.46233	0.3
61.02918	1.0
63.23106	0.3
69.03436	3.9
70.06590	3.3
71.04976	0.5
72.08154	0.7
73.02902	0.4
79.05469	0.3
81.03414	2.3
84.08137	1.0
85.02909	13.2
86.09693	1.3
87.04467	0.3
91.03960	0.5
91.05482	9.3
95.04977	0.6
97.02900	4.5
99.00822	9.2
99.04453	0.9
100.54623	0.3
107.04958	12.5
109.02180	0.4
109.02885	6.2
109.03632	0.4
109.54887	0.2
111.04485	0.3
115.05437	0.3
117.01871	3.9
117.58660	0.2
119.04949	27.6
120.05769	2.1
121.02853	0.9
121.06505	2.9
121.87988	0.3
123.04444	2.8
127.03912	4.0
128.85201	0.2
129.10237	0.7
131.04909	0.5
135.04424	12.0
136.05165	0.5
136.07553	0.4
137.06004	0.3
141.06985	0.8
143.04913	0.4
143.06013	0.3
145.02859	0.3
145.03891	0.2
145.04958	4.0
145.06482	0.5
147.04430	2.5
153.07004	2.0
155.08549	2.7
161.06033	0.4
162.07645	0.5
163.03943	2.3
163.06017	1.2
165.05669	0.4
165.07010	7.9
179.08553	0.7
180.08702	0.9
181.04887	0.5
181.06395	0.7
183.08057	15.1
184.08420	0.3
189.05489	0.6
189.07037	0.6
193.06277	1.9
193.09149	0.3
201.09102	0.8
207.08043	4.5
208.08411	0.4
211.07538	10.7
217.06447	0.5
218.07225	0.3
225.09160	0.5
228.07782	1.7
229.08606	100.0
230.08923	2.7
233.04292	1.4
234.06682	0.4
234.51372	0.3
235.07550	9.4
236.07983	1.0
237.08148	0.7
239.06941	0.9
253.08609	6.3
261.06012	0.9
263.07053	18.9
264.07520	1.0
267.06396	0.3
279.06467	0.5
281.08093	19.6
282.08514	0.6
291.06531	5.0
292.07129	0.5
297.07620	0.6
298.07956	0.7
299.08575	0.4
309.07562	30.5
310.07925	1.0
325.06769	0.3
327.08643	12.5
328.08926	0.5
344.22098	0.4
345.09695	3.7
362.23187	0.5
425.63901	0.3
531.13678	0.3
686.32788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.97117	0.2
55.01869	0.6
56.38014	0.2
57.03442	0.5
58.18433	0.2
61.02916	0.8
65.03938	0.3
69.03439	1.4
69.75068	0.2
69.90269	0.6
70.06594	2.0
71.01342	0.2
72.08160	0.6
73.02927	0.2
79.05503	0.3
81.03428	0.8
84.04487	0.3
84.08134	0.7
85.02905	5.5
86.09709	1.0
89.72213	0.2
91.03960	0.5
91.04936	0.4
91.05478	5.9
95.04958	0.3
97.02895	1.8
99.00818	10.0
99.04440	0.4
102.40788	0.2
107.04244	0.4
107.04952	6.9
109.02874	4.0
110.02495	0.2
116.07088	0.2
117.01857	4.5
119.04943	19.3
120.05781	1.5
121.02875	0.7
121.06520	1.5
123.04429	1.8
127.03911	1.2
127.68534	0.2
129.10243	0.5
135.04414	9.1
136.05133	0.3
141.06978	0.6
145.03943	0.3
145.04970	1.7
145.06422	0.4
147.04387	0.7
153.06987	1.3
155.08574	1.6
160.05249	0.3
162.07671	0.3
163.03937	0.3
163.06015	0.7
165.06993	4.9
180.08670	0.6
181.06459	0.3
183.08061	10.9
189.07013	0.4
193.06212	1.1
193.07890	0.5
201.09172	0.6
207.08060	2.0
211.07545	7.4
217.06488	0.3
228.07785	0.8
229.08595	100.0
230.08949	2.2
233.04420	0.6
235.07530	4.8
236.08015	0.3
253.08574	3.6
263.07031	10.3
264.07385	0.6
281.08087	11.4
282.08429	0.5
291.06500	3.8
292.07022	0.3
309.07568	18.0
310.08011	0.6
327.08627	10.5
328.08969	0.3
345.09659	4.5
346.10126	0.2
362.23196	0.3
635.23346	0.2
686.32642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96689	0.4
53.03938	0.4
55.05508	0.4
57.03434	2.2
61.13686	0.4
69.03424	1.0
70.06593	0.5
70.09351	1.0
71.04993	9.5
73.02914	1.1
75.04463	0.5
83.04994	2.3
85.02402	0.8
85.02907	14.5
87.04470	0.5
91.05453	0.6
97.02897	1.0
98.23354	0.4
103.05457	1.2
105.75426	0.4
107.04937	0.9
111.04432	1.6
115.05424	0.6
117.06971	0.5
119.04927	1.1
123.04424	1.2
127.03929	1.1
128.06216	1.1
129.05481	4.8
129.06990	3.6
131.04929	2.4
131.08569	4.1
133.06482	1.6
137.05983	5.1
141.07002	2.9
142.12189	0.6
143.04919	0.4
143.08545	1.0
145.04976	0.7
145.06451	0.9
146.07329	0.6
147.04425	3.7
147.06508	2.0
149.05943	0.6
151.07538	0.9
157.06490	4.2
158.07259	1.5
159.08038	4.2
160.05214	0.9
161.05942	2.3
161.09659	0.4
162.06729	0.5
163.06003	2.1
163.07545	2.4
167.07053	1.1
169.06479	1.6
171.08072	1.7
173.05923	0.7
174.06760	8.1
175.07518	2.9
177.05460	0.4
177.09178	0.4
179.07030	1.2
185.05965	1.4
186.06732	2.2
187.07501	0.5
188.08296	1.1
189.09113	18.2
190.09320	0.6
191.07024	0.9
191.10658	1.4
192.07761	1.2
193.08589	2.5
201.09103	8.2
203.10666	5.9
207.06516	1.6
207.10228	0.5
209.08002	0.5
219.10158	100.0
220.10533	3.6
221.11667	2.8
237.11179	3.1
295.13327	0.7
306.85507	0.4
307.09708	0.9
309.11542	0.7
311.12878	0.5
325.14459	0.6
327.12238	0.8
327.15610	2.3
339.12344	1.1
345.16806	0.6
357.13397	0.7
367.15198	0.6
686.37604	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05512	13.2
57.03178	0.9
57.03439	12.9
57.07071	1.9
59.05013	3.3
60.28975	0.5
61.02929	5.1
62.88819	0.5
65.03928	2.8
67.05506	100.0
68.05834	0.6
69.03431	1.2
69.07068	8.0
69.75642	1.3
69.75985	0.9
71.04994	3.0
73.02924	1.2
77.03917	0.9
79.05494	24.9
81.07059	40.1
83.04965	0.9
83.08618	8.7
85.02898	4.5
85.06558	3.4
86.22836	0.5
91.03938	1.6
91.05482	13.8
93.07047	27.0
95.04982	3.3
95.08608	26.4
95.09217	1.3
97.02905	2.5
97.06538	1.2
97.10182	1.9
98.23380	1.0
99.08086	1.2
105.04528	1.1
105.07027	7.2
107.08601	12.8
109.06503	1.2
109.10159	73.0
110.10474	0.9
111.08068	3.3
116.35271	0.5
117.07021	3.4
119.08585	9.8
121.10156	11.2
123.11695	3.5
125.09624	1.2
131.08568	6.1
133.10138	4.4
135.11687	7.1
137.09630	2.8
137.13292	1.1
145.10127	4.2
147.11729	2.9
149.13293	4.0
155.02371	0.5
155.10667	8.1
159.11717	3.6
161.13255	2.1
163.14813	1.8
173.11734	15.0
173.13237	3.5
174.12047	0.7
175.14796	0.9
177.16365	0.6
186.00142	0.6
187.14772	1.6
201.16302	0.7
227.12738	2.9
229.14348	70.8
230.14597	1.4
233.91367	0.6
243.21086	4.2
259.20755	0.5
261.22150	12.8
263.23651	0.6
268.07144	0.5
299.23349	0.6
317.24756	2.0
335.25806	60.4
336.26123	1.7
397.30801	1.2
415.32245	0.8
471.34299	1.2
489.35748	50.5
490.35812	1.4
507.36639	3.0
541.24744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01873	0.7
55.05512	8.8
57.03437	11.1
57.07083	1.1
59.05008	2.9
61.02926	3.4
65.03942	1.9
67.05505	79.5
68.05840	0.8
69.03423	1.1
69.07073	6.1
69.23000	1.8
71.05000	2.9
73.02908	0.6
77.03934	0.6
78.63093	0.4
79.05495	13.5
81.07059	27.6
83.04980	0.8
83.08617	7.4
85.02909	3.0
85.06544	2.2
91.03961	1.3
91.05476	10.7
93.07047	18.0
95.04996	1.9
95.08606	19.9
97.02925	2.0
97.06528	1.2
97.10156	1.8
99.08066	0.8
103.47235	0.4
105.04516	0.8
105.07029	5.4
107.08044	0.3
107.08594	12.0
109.10158	62.7
110.10511	1.0
111.08086	3.0
113.09599	0.4
117.07036	2.1
119.08591	8.5
121.10141	7.9
123.08057	0.7
123.11700	3.3
125.09631	1.3
127.03890	0.6
131.08557	5.1
133.10132	3.6
135.11688	6.7
137.09647	2.7
137.13245	1.1
139.11229	0.4
144.33397	0.5
145.10118	3.0
147.11681	2.6
149.13245	4.0
151.11172	0.4
155.10667	8.0
159.11673	3.1
161.13261	2.0
163.14824	1.9
171.11671	0.5
173.11757	17.5
173.13237	2.5
175.14847	0.6
177.16379	1.5
178.57509	0.4
187.14799	1.7
189.11153	0.7
199.14873	0.4
215.17967	0.4
227.12732	4.8
229.14346	100.0
230.14775	2.0
243.21085	3.8
261.22134	15.6
262.22461	0.6
263.23688	0.6
317.24811	2.7
335.25800	67.4
336.26071	2.6
355.10306	0.5
379.29852	0.9
397.30804	1.5
415.32010	1.2
471.34711	1.5
489.35760	41.3
490.36111	2.2
507.36789	3.1
550.48700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25216	0.4
55.05518	0.4
67.05495	0.5
69.07074	0.5
69.55157	1.7
69.81262	0.4
70.06588	2.1
72.08137	0.5
81.07053	0.5
84.08170	0.6
86.09723	0.9
93.07033	0.5
95.08646	0.7
98.23447	0.5
103.49429	0.4
105.07041	0.4
109.10194	0.7
123.11754	0.5
177.05508	0.8
227.48552	0.4
283.18411	0.5
460.15012	1.2
669.33368	0.5
687.24121	100.0
688.24042	5.4
716.86871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27914	0.3
70.56719	0.3
81.07043	0.5
94.06614	0.6
94.75915	0.3
95.50891	0.4
104.10754	0.5
109.10162	0.4
117.02888	0.3
132.08130	0.6
144.08128	0.7
155.00685	0.4
157.69116	0.4
168.08095	0.4
172.07535	0.9
185.10768	0.5
188.06967	0.4
194.08224	0.4
194.09781	0.5
195.09097	0.7
196.09859	0.5
197.10728	1.0
198.11516	0.8
199.08743	0.9
201.10301	0.4
208.09753	0.9
209.10707	5.4
210.11502	1.7
211.08719	0.8
211.12279	2.4
212.09607	0.5
212.13036	0.6
213.06715	1.0
213.10272	1.3
221.10812	1.2
222.11244	2.6
223.08772	2.0
223.12209	5.3
224.09415	0.7
224.13055	3.7
225.10249	0.5
225.13885	4.1
226.14691	0.7
227.08258	1.0
232.09782	0.8
234.11438	0.6
235.12343	1.3
236.09488	0.6
236.13062	0.8
237.10286	3.3
237.13840	12.7
238.10869	0.4
238.14601	7.3
239.08208	0.5
239.11749	0.5
239.15463	3.7
239.67792	0.4
240.16266	0.6
241.09750	1.8
249.10265	0.6
249.13922	0.4
250.11176	0.6
251.11853	1.3
253.13324	2.0
255.07625	0.9
255.11340	0.9
265.13339	10.5
266.14182	3.4
267.14902	3.5
269.09409	1.1
269.12897	0.6
273.09702	0.4
273.12238	2.9
276.16168	0.6
277.17233	0.4
282.13699	1.0
283.10941	0.5
285.12787	0.4
287.14172	0.9
293.13132	0.5
294.13437	0.6
297.12424	3.0
297.15677	0.6
299.10358	0.8
300.11621	0.5
300.15045	0.7
301.11935	0.7
309.12534	0.5
309.15915	1.0
311.10550	0.5
312.15018	0.8
313.15787	0.6
314.13220	0.6
314.16638	1.3
315.13699	2.6
315.17075	0.7
316.14600	0.6
316.18088	0.8
325.12109	0.6
325.15485	7.9
326.12811	0.5
326.16254	1.4
327.17197	2.3
328.14432	1.0
328.18127	1.0
329.11600	0.5
335.14059	0.8
336.14880	1.1
340.14517	0.7
341.11362	0.5
342.12546	0.5
342.19794	0.5
343.12939	1.4
354.15976	0.5
354.19916	0.5
374.18875	0.7
380.21506	0.4
381.21265	0.6
386.18674	1.5
387.19543	1.0
388.20367	1.9
389.20892	1.0
392.17313	0.7
393.17188	0.8
394.17963	0.5
395.18512	0.9
399.15970	0.9
400.16412	2.0
400.20831	0.5
401.16702	0.4
401.21143	1.3
402.21887	1.6
404.23602	1.7
405.17651	0.5
406.18634	0.6
407.18903	0.6
408.19772	0.6
409.20261	1.1
414.18158	1.4
419.18665	1.6
422.18121	0.6
423.22476	0.8
430.21161	0.5
432.19205	0.7
433.20468	1.1
434.21420	0.5
436.18930	0.6
437.19943	1.6
438.20569	0.7
446.17270	0.4
447.17075	0.6
447.22488	0.6
448.19934	0.4
450.21216	0.5
451.21844	0.7
453.23465	0.6
462.19989	0.8
464.20151	0.5
475.21313	0.8
478.19910	0.6
479.21582	0.7
480.21030	0.4
481.22372	0.7
482.23151	0.9
483.22931	0.5
488.21298	0.4
490.23178	2.0
491.24902	2.2
493.22754	0.7
497.25809	2.3
498.26508	0.9
505.23041	0.6
506.23352	1.3
507.24109	3.3
508.22485	0.9
509.21814	0.7
510.22098	0.8
511.23355	0.9
517.21436	0.6
521.26282	1.9
522.25482	0.8
523.23969	0.5
524.24432	1.4
525.24976	5.6
533.23962	0.5
535.23022	1.2
537.21381	0.5
539.26367	1.6
540.27521	1.4
549.25122	2.7
550.24261	0.8
552.24084	0.7
553.24414	1.8
567.26251	3.6
568.26971	1.8
577.24164	0.5
579.26111	1.2
585.26880	1.2
595.25482	3.6
609.27124	10.5
610.26520	0.9
611.28479	1.0
613.26556	1.3
623.25012	1.1
627.28101	27.3
628.28320	1.9
637.26642	3.9
655.27570	100.0
656.27856	8.8
687.29919	5.1
687.40033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32497	0.3
65.03934	1.8
67.05505	14.9
67.89538	0.4
69.07067	12.2
70.06586	3.1
71.05011	1.9
71.05333	0.4
74.17107	0.4
84.08134	0.9
86.16119	0.4
91.16330	0.4
95.04967	33.0
99.04432	0.3
112.07604	100.0
112.50387	0.4
113.06004	17.1
113.07936	1.2
114.06351	0.7
130.08670	0.5
145.38475	0.3
155.07040	2.8
169.46666	0.4
173.08125	0.4
224.12811	18.2
225.11081	0.4
225.13123	0.5
242.13846	0.8
250.91382	0.4
278.43622	0.3
284.14923	17.8
285.15366	0.5
295.90353	0.4
336.18069	2.9
388.03821	0.4
396.19818	0.4
418.94058	0.4
455.99203	0.4
718.76221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29069	0.4
53.03938	1.0
55.01867	1.1
56.05032	1.1
57.03428	3.5
58.06599	3.7
61.02931	2.1
64.90371	0.5
67.05511	1.5
69.03428	7.0
69.07092	0.8
69.08936	3.0
70.06600	1.9
71.05009	0.9
72.08157	3.7
73.02918	3.9
74.05456	0.5
75.72816	0.5
78.22537	0.5
79.05497	0.7
81.03416	1.7
81.07054	1.4
82.06582	0.6
83.06766	0.5
83.21545	0.4
84.08140	6.0
85.02901	8.4
87.04472	2.9
91.03958	0.6
95.05006	0.5
95.08630	1.1
96.08125	2.5
97.02880	4.5
97.06564	0.6
97.08911	0.8
98.09698	4.8
99.04505	0.7
99.08078	0.8
109.02892	1.5
109.10170	0.8
110.09683	4.9
111.10467	2.6
112.11263	0.7
114.09145	0.5
115.03953	1.2
123.04424	9.1
123.78454	0.5
124.11269	2.8
126.02640	0.6
127.03931	2.1
128.10721	8.7
137.05969	1.2
142.12259	2.5
145.05130	0.5
147.04501	0.6
149.05949	1.2
152.14308	0.8
163.07544	1.2
185.82510	0.5
189.09106	0.8
216.55173	0.5
219.10179	2.2
220.10516	1.1
221.10727	0.7
222.22156	5.6
283.84451	0.6
345.26703	0.6
346.27423	12.3
347.27664	0.7
364.28433	11.5
376.28558	1.4
394.29578	2.6
492.02698	0.6
508.32550	3.3
510.33707	0.6
526.33618	5.3
538.33881	0.7
556.34705	2.8
596.44617	0.5
670.37927	7.4
688.38977	100.0
689.39258	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	688.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91360	0.7
54.53093	0.6
56.05043	0.9
57.03442	2.1
58.06600	0.8
61.02927	1.7
67.05521	1.3
69.03427	7.9
70.06588	6.7
71.05000	1.0
71.46303	0.7
72.08167	1.7
73.02924	2.6
81.03426	2.4
81.07069	1.3
82.06582	1.0
84.08153	3.2
85.02911	11.4
85.52367	0.6
86.09705	1.5
86.73704	0.6
87.04487	2.1
88.07625	4.6
88.23358	0.6
95.08645	1.0
96.08123	3.7
97.02902	4.8
98.09703	2.4
99.04480	1.3
99.78809	0.6
109.02908	1.5
110.09669	8.0
111.10482	3.4
112.11229	3.1
123.04438	9.7
124.11234	3.2
126.71475	0.7
127.03951	2.8
128.10748	2.8
138.12778	1.2
145.05045	1.1
166.15865	0.8
180.17480	1.0
194.19020	0.8
196.04915	0.7
208.20647	1.4
222.22165	12.0
222.24141	0.8
240.23131	1.5
314.38364	0.7
318.24289	12.2
331.80124	0.6
345.26590	1.2
346.27377	17.9
347.27670	0.6
364.28403	17.8
458.02338	0.7
508.32617	4.3
526.33618	6.9
549.45673	0.7
670.37994	10.4
688.39008	100.0
689.39325	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	691.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05522	3.9
57.03436	2.1
57.07072	0.7
61.02911	1.8
65.03940	0.4
65.23872	0.4
67.05165	0.5
67.05508	9.0
69.03416	1.0
69.07063	5.8
69.65591	1.5
70.36030	0.4
71.04989	1.2
79.05494	7.6
81.03394	0.7
81.07053	11.5
83.04972	3.4
83.08598	2.0
85.02892	1.9
85.06531	0.7
91.03973	1.0
91.04955	0.5
91.05478	6.7
93.07041	9.6
95.04967	2.8
95.08604	6.5
97.02868	1.0
97.06528	2.6
97.10170	1.2
105.04520	0.5
105.07023	9.4
107.04946	3.4
107.08588	7.5
109.06528	3.1
109.10132	2.8
111.04453	0.8
111.08087	0.7
117.07001	3.1
119.08574	6.1
121.06510	4.1
121.10153	4.7
123.04397	0.5
123.08076	2.6
123.11720	1.3
125.09619	0.7
127.03922	0.9
129.07004	1.0
131.08556	7.6
133.06477	0.9
133.10130	7.0
135.08044	2.4
135.11682	3.3
137.09596	1.1
141.06929	0.6
143.08569	0.9
145.04933	0.4
145.06480	0.8
145.10115	6.3
147.08037	1.5
147.11665	5.8
149.09627	3.1
149.13266	1.3
151.11185	1.4
155.08553	1.1
157.10127	1.3
159.08089	0.7
159.11684	3.5
161.09608	1.7
161.13269	1.3
163.06035	0.6
163.11148	2.8
165.12749	1.1
169.10106	0.6
171.11649	1.2
173.09572	2.0
173.13260	1.9
175.11250	1.2
175.14751	0.8
177.12743	1.0
183.11659	1.3
187.11160	1.1
187.14795	0.6
191.10762	0.5
191.14302	0.9
201.12761	1.4
205.19630	0.5
207.13765	1.1
213.16403	0.6
215.17966	0.5
219.13840	1.7
227.12810	0.7
229.19469	0.9
231.17470	0.6
239.17950	1.7
247.20595	1.4
257.19006	4.3
265.14340	1.2
267.15869	2.0
275.20047	28.0
276.20291	0.8
283.15430	1.2
285.16971	1.2
293.21121	3.7
301.16333	1.2
349.23721	100.0
350.24091	2.5
367.24866	3.3
391.24927	0.6
475.27271	0.5
493.27908	1.4
511.28860	3.0
621.90814	0.5
647.37115	0.5
658.98566	0.4
690.37988	0.7
691.39423	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	691.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48763	0.4
67.05508	0.4
69.07061	0.5
69.95461	0.5
69.95785	0.9
70.06596	1.8
79.05534	0.6
81.07066	1.2
84.08138	0.5
86.09721	0.9
87.04486	0.8
91.05483	0.7
93.07061	1.0
95.08601	0.8
97.06552	0.5
98.09707	1.0
98.18258	0.4
105.07030	0.4
109.10175	0.5
119.04957	0.6
121.33788	0.3
129.10228	0.5
136.07584	0.4
147.04420	1.6
159.11755	0.5
165.09190	0.4
201.36821	0.4
241.13173	0.5
267.11331	0.5
275.76331	0.4
413.57745	0.4
511.32455	1.3
529.25934	0.6
529.33319	3.6
571.35107	0.5
629.38226	1.3
673.38800	0.7
691.38733	100.0
692.28534	0.5
692.39465	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	691.3878
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
66.48763	0.4
67.05508	0.4
69.07061	0.5
69.95461	0.5
69.95785	0.9
70.06596	1.8
79.05534	0.6
81.07066	1.2
84.08138	0.5
86.09721	0.9
87.04486	0.8
91.05483	0.7
93.07061	1.0
95.08601	0.8
97.06552	0.5
98.09707	1.0
98.18258	0.4
105.07030	0.4
109.10175	0.5
119.04957	0.6
121.33788	0.3
129.10228	0.5
136.07584	0.4
147.04420	1.6
159.11755	0.5
165.09190	0.4
201.36821	0.4
241.13173	0.5
267.11331	0.5
275.76331	0.4
413.57745	0.4
511.32455	1.3
529.25934	0.6
529.33319	3.6
571.35107	0.5
629.38226	1.3
673.38800	0.7
691.38733	100.0
692.28534	0.5
692.39465	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
57.03432	1.2
58.14311	0.6
59.33673	0.6
61.02924	3.1
66.02471	0.5
67.05510	5.1
67.71548	0.6
69.03431	2.1
69.07058	0.9
69.61498	1.2
69.61889	1.6
71.01369	0.8
71.04991	1.3
73.02911	2.9
73.79842	0.6
79.05495	1.9
81.03399	0.9
81.07057	3.0
83.08600	0.8
85.02924	3.2
91.03954	2.4
91.05473	0.7
93.07050	2.5
95.08614	2.5
97.02895	3.0
98.08117	0.6
101.02383	1.2
104.45524	0.6
105.07064	1.0
107.08600	1.1
109.10166	6.0
117.26727	0.6
119.08561	1.1
121.10156	0.6
131.08553	0.8
145.10239	0.7
173.11751	1.1
195.09921	0.8
243.08519	1.5
413.17737	5.4
519.29291	4.2
530.30206	0.7
539.01117	0.7
691.40210	100.0
692.40564	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13563	0.3
53.03946	0.4
54.18143	0.3
55.01892	0.3
55.05510	1.3
57.03429	2.0
59.05008	0.7
61.02927	4.9
62.23125	0.3
65.03947	0.4
67.05505	8.8
69.03428	3.0
69.07071	0.8
69.36676	0.3
71.01357	0.7
71.05004	0.7
73.02914	4.0
79.05491	2.2
81.03429	1.6
81.07053	3.2
83.08624	0.8
85.02904	4.4
87.04466	0.8
91.03951	3.2
91.05462	1.6
93.07041	2.1
95.04977	0.4
95.08603	2.5
95.85742	0.3
97.02887	4.8
98.22627	0.7
99.04462	0.8
101.02357	1.5
103.03905	0.4
105.07053	0.9
107.08628	1.2
109.02876	0.7
109.10152	7.9
118.88167	0.3
119.08614	0.8
121.10176	0.7
127.03944	1.3
131.08572	0.3
133.10202	0.5
135.11732	1.0
137.09653	0.5
145.04953	0.3
155.10690	0.8
173.11752	1.8
185.04297	0.7
195.10014	0.8
203.05377	0.5
229.14352	0.7
243.08417	2.1
251.12605	0.4
335.25998	0.3
413.17822	10.3
413.23352	0.6
519.29291	3.8
589.44061	0.3
691.40253	100.0
692.28491	0.4
692.40607	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05512	0.9
55.61092	0.3
57.03445	1.7
59.05008	0.4
61.02930	4.8
67.05505	7.3
68.66959	0.3
69.03427	2.9
69.07073	1.0
70.93159	0.3
71.01359	0.4
71.05025	0.3
73.02916	4.6
79.05487	2.4
81.03437	1.3
81.07059	4.1
81.07499	0.4
83.08666	0.7
83.37914	0.3
84.66139	0.3
85.02907	5.7
87.04482	0.4
91.03951	4.0
91.05464	1.7
93.07031	2.5
95.04975	0.6
95.08604	3.3
97.02895	4.6
97.06523	0.5
98.23457	0.7
99.04467	0.9
101.02391	1.8
103.03959	0.4
105.07047	1.0
107.08622	1.8
109.02892	0.9
109.10161	5.5
109.10880	0.4
111.04508	0.3
112.46239	0.3
115.03914	0.7
119.08618	1.3
121.10182	1.5
127.03923	1.5
130.87289	0.3
131.08609	0.7
133.67644	0.3
135.11713	0.7
137.09718	0.3
145.05014	0.6
147.11731	0.4
149.13300	0.4
155.10675	0.3
173.11757	0.8
185.04326	0.8
187.14723	0.4
195.09985	0.8
203.05302	0.5
229.14377	0.8
243.08348	2.2
296.10730	0.4
335.25735	0.7
413.17834	4.4
458.94333	0.3
519.21332	0.4
519.29242	8.2
520.29712	0.4
691.40253	100.0
692.40552	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05511	7.1
57.03438	6.8
65.08712	1.5
67.05505	20.5
69.07066	11.7
69.51292	5.4
71.05007	3.1
74.36040	1.2
74.52370	1.1
76.64864	1.2
79.05498	10.4
81.03406	1.7
81.07057	62.6
83.04989	5.0
83.08624	7.3
85.02900	1.9
85.06543	3.9
87.04509	1.4
91.05477	18.9
93.07043	9.4
95.04977	2.1
95.08612	14.5
97.02926	1.7
97.06544	5.2
99.08092	5.1
101.06046	1.5
105.07033	30.4
107.08586	12.4
109.06518	5.3
109.10162	1.6
113.05976	1.6
119.08585	22.1
121.10143	19.1
123.08089	3.9
123.11707	23.5
127.07515	3.0
131.08597	1.6
133.10143	2.2
147.11685	69.1
148.11946	1.6
157.10097	3.1
165.12761	26.2
175.11211	2.5
183.13783	2.9
193.12338	1.5
197.37721	1.2
229.14372	7.3
237.19827	1.3
246.89401	1.4
267.15912	86.9
268.16290	3.9
285.16959	100.0
286.17340	2.4
467.58447	1.4
477.28561	22.3
495.29498	79.9
496.29773	4.0
678.37769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85797	2.0
53.62933	2.2
75.04385	2.3
97.62511	1.9
98.62124	2.0
111.66838	2.1
133.27751	2.4
144.45294	2.1
156.23399	2.4
180.89610	2.1
198.97592	2.5
221.66853	2.1
553.25464	2.5
665.38208	2.6
693.34528	100.0
694.34784	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	694.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01863	1.2
55.05513	13.1
57.03215	0.8
57.03440	7.8
57.07066	3.5
59.04998	1.4
60.73692	0.7
61.02928	27.8
65.03915	2.1
67.05505	80.7
69.03430	4.5
69.06718	0.9
69.07073	11.9
71.04982	3.7
71.08631	1.0
71.34982	0.7
73.02914	10.5
75.04446	0.7
79.05492	42.1
81.03413	2.3
81.07057	84.6
82.07367	1.0
83.04975	1.6
83.08623	7.4
85.02905	34.7
85.06538	3.0
91.03956	26.9
91.05475	20.8
93.07043	57.0
95.04957	3.3
95.08607	68.4
97.02895	16.8
97.06524	3.4
97.10176	3.9
99.04448	1.4
99.08082	3.5
105.04517	2.3
105.07028	17.8
107.08595	37.1
109.02890	0.9
109.06535	1.1
109.10158	36.8
110.10510	0.9
111.08094	2.3
111.11653	0.8
113.09588	1.1
115.03932	1.3
117.07028	10.8
119.08578	16.8
121.10143	39.5
123.08065	2.1
123.11704	19.2
125.09647	1.4
127.03924	9.2
129.07007	0.8
131.08565	19.7
133.10132	13.4
135.08057	0.8
135.11694	28.3
137.09602	1.2
137.13254	8.2
139.11156	1.1
141.12764	1.1
145.04962	13.6
145.10112	16.0
147.11665	11.1
149.09627	0.9
149.13266	21.1
151.11159	2.2
151.14787	3.1
153.12746	1.0
157.10103	1.0
159.11688	17.0
161.13271	12.8
163.06015	18.9
163.14812	15.7
165.12749	2.2
167.14316	0.9
173.13254	16.3
175.14832	4.3
177.12756	1.8
177.16367	7.8
179.14290	3.2
187.14812	8.8
189.16417	1.0
191.14304	1.4
201.16417	4.0
205.15863	2.9
215.17990	1.8
219.17413	1.8
233.22539	4.2
243.21094	37.7
244.21373	1.1
261.22141	100.0
262.22391	4.1
263.23740	2.0
279.23184	6.5
280.23721	0.8
283.19183	0.8
317.24695	1.4
318.09525	0.9
335.25806	37.1
336.26068	2.1
353.26862	68.4
354.27267	3.1
397.33228	0.9
497.31107	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92306	1.0
53.03933	2.0
55.05514	8.5
57.03434	4.5
57.07071	2.7
61.02632	1.8
61.02929	24.8
65.03941	1.7
67.05503	45.7
69.03433	2.5
69.07063	8.9
69.83517	2.1
69.83911	2.5
71.04993	2.1
73.02914	8.8
79.05495	31.7
81.07054	52.8
83.04980	2.6
83.08606	6.4
85.02906	29.9
85.06535	2.8
87.64544	1.2
91.03959	29.8
91.05474	15.1
91.05984	1.6
93.07043	43.3
95.04976	2.9
95.08604	42.1
97.02885	15.1
97.06547	1.9
97.10177	3.1
99.04425	2.4
99.08105	2.0
105.07030	14.1
107.08588	30.7
109.02890	1.3
109.10152	26.6
111.08111	1.4
115.03967	1.3
117.06996	7.1
117.36481	1.3
119.08569	11.0
121.10147	28.2
123.11698	15.4
125.09642	1.9
127.03925	8.0
131.08559	14.3
132.08855	1.4
133.10126	13.4
135.11687	26.0
135.12639	1.8
137.09650	1.1
137.13251	4.6
139.11151	1.7
139.50760	1.2
145.04958	15.0
145.10133	12.2
147.11688	10.9
149.13266	15.5
151.11241	2.8
151.14859	2.4
153.12700	1.4
159.11700	12.6
161.13260	9.1
163.06024	27.8
163.14816	12.6
165.12793	3.3
173.13249	14.4
175.14824	3.5
177.12814	1.9
177.16350	5.7
179.14311	2.3
187.14830	7.4
189.16422	1.7
191.14291	1.2
197.44209	1.3
201.16493	2.5
205.15878	2.4
215.17949	2.3
219.17516	1.6
233.22736	2.9
243.21098	35.6
244.21423	1.2
249.62897	1.1
261.22131	100.0
262.22528	2.8
263.23611	1.9
279.23370	1.4
283.19189	1.2
333.47543	1.2
335.25824	19.6
336.26044	1.8
353.26877	59.4
354.27304	3.6
423.27853	1.3
497.31046	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01873	7.8
55.05510	31.3
57.03440	10.2
57.07072	3.6
58.16993	1.3
59.04997	1.7
65.03948	3.8
67.05505	66.7
68.05852	1.7
69.03422	5.2
69.07065	39.2
70.07409	1.4
71.05001	5.4
73.02942	1.5
76.46294	1.3
77.03944	1.3
79.05491	58.0
79.05949	2.9
81.03410	6.1
81.07055	100.0
82.07388	2.2
83.04973	10.8
83.08135	2.1
83.08616	21.0
85.06545	3.7
86.70383	1.2
91.05477	58.7
93.06443	2.7
93.07040	52.8
94.07372	1.4
95.04959	17.7
95.08601	41.8
96.08935	1.3
97.06516	16.1
97.10157	11.0
98.23532	2.2
99.08096	3.7
103.05457	1.6
105.04530	2.8
105.07024	51.3
106.07356	2.0
107.04934	14.4
107.08589	42.3
108.88343	1.4
109.06513	17.4
109.10159	15.1
111.08083	7.2
115.05460	1.3
115.07544	1.4
116.06306	1.4
117.07001	19.1
119.06127	1.5
119.08576	44.2
121.06503	8.4
121.10140	20.2
123.08064	8.4
123.11727	5.8
125.09610	10.4
129.07002	7.5
130.07759	2.1
131.08566	26.0
133.10126	30.8
135.08032	6.0
135.11670	16.0
137.09601	7.1
139.11169	1.9
141.06995	1.6
142.07785	1.9
143.08531	6.3
145.06499	2.0
145.10118	22.9
147.08096	3.2
147.11676	21.8
149.09589	16.8
149.13235	9.7
151.11229	4.8
155.08543	2.5
157.10098	6.5
159.11671	18.6
161.09616	3.1
161.13280	4.7
163.11182	12.4
163.14906	1.7
165.12769	5.7
169.10133	4.1
171.11703	5.0
173.11957	1.5
173.13216	7.6
175.11313	2.9
177.12766	4.6
179.14296	2.2
183.11688	5.0
185.13251	4.5
187.11136	1.7
187.14803	2.9
189.11229	5.1
191.14345	2.3
193.12221	2.7
195.13759	4.7
199.14792	1.4
205.12193	1.8
211.14890	2.2
215.14253	1.6
217.15971	2.1
223.13277	3.1
227.12740	9.1
229.19527	3.0
233.18726	1.5
239.17979	5.9
241.19614	2.2
247.20552	5.5
253.17976	2.3
255.15891	3.2
257.18954	14.8
267.15887	3.3
269.17450	14.6
275.20059	77.5
276.20441	4.3
291.19559	6.4
292.20422	1.3
293.21109	14.6
331.22519	2.9
349.23743	51.0
350.23904	2.3
367.24783	27.6
449.29068	4.1
463.30460	5.7
519.33234	4.0
529.35431	2.7
537.33826	2.3
543.36786	12.1
547.36145	1.6
561.37799	9.9
578.40082	3.0
623.43140	9.1
641.43903	14.5
694.40979	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	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
54.12844	1.7
55.01875	10.2
55.05512	37.1
57.03434	15.3
57.07080	2.2
65.03925	2.0
67.05164	4.1
67.05507	67.2
69.03417	4.9
69.07071	34.8
70.96049	3.5
71.04980	6.6
79.05496	59.9
81.03418	6.5
81.07059	100.0
83.04989	8.9
83.08618	26.0
85.02888	1.9
85.06533	5.2
87.04478	2.6
88.05000	1.7
91.05485	51.3
93.07049	54.5
95.04980	31.5
95.08606	44.4
97.06529	12.5
97.10176	10.5
99.08098	3.8
103.05466	3.8
105.04471	3.6
105.06354	2.8
105.07038	55.3
107.04955	14.3
107.07930	2.6
107.08596	37.7
109.06522	25.3
109.10165	17.7
111.08086	7.6
115.05405	2.2
117.07019	24.2
119.08589	43.5
121.06485	7.3
121.10133	20.0
123.08109	11.1
123.11742	9.2
125.09649	13.5
129.06999	8.0
131.08577	27.3
133.06456	3.3
133.10129	33.5
135.08031	7.3
135.11690	13.2
137.09598	5.2
141.06993	3.1
142.07726	2.7
143.08539	7.9
145.10110	29.3
147.08034	4.7
147.11685	24.2
149.09610	15.8
149.13272	8.2
151.11160	2.9
155.08580	4.7
157.10118	9.5
159.11694	23.5
161.09674	3.1
161.13219	9.9
163.11169	17.5
165.12720	5.7
169.10110	6.2
171.11659	7.3
173.09573	4.2
173.13289	9.6
175.11185	5.0
175.14818	3.2
177.12775	4.2
179.14238	2.7
183.11655	6.7
185.13258	12.4
187.11188	2.5
187.14780	2.7
189.11220	5.6
193.12163	2.4
197.13271	6.0
201.12817	2.6
203.14313	5.0
207.13655	1.8
211.14928	2.3
213.16667	2.3
219.17435	5.5
223.13284	12.2
227.12837	9.4
229.19592	6.2
239.17892	8.7
245.14223	2.0
247.20551	5.4
247.56314	2.1
255.15869	2.7
257.18991	22.8
269.17450	5.2
275.20065	90.3
276.20340	6.2
291.19498	4.6
293.21045	25.9
331.22632	5.4
349.23773	66.6
350.24005	4.0
367.24762	59.6
368.25150	3.8
449.28665	2.7
463.30533	2.4
543.36353	3.6
623.43195	16.7
641.44141	31.0
659.45081	11.1
694.38501	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08627	0.7
53.01312	0.6
53.03940	2.6
53.65873	0.6
55.01873	6.1
55.05254	1.4
55.05510	19.0
57.03432	6.5
57.07075	1.6
65.03934	3.0
66.04719	0.6
67.05503	42.6
69.03427	2.1
69.07067	24.3
71.04984	3.2
71.08659	0.9
72.49895	0.7
77.03945	0.9
79.05495	37.2
80.05842	0.8
81.03417	3.9
81.07056	97.1
82.07394	2.2
83.04975	6.3
83.08614	13.0
83.16431	0.7
85.06544	3.2
91.05477	33.8
93.07042	29.2
95.04967	11.4
95.08604	27.1
97.06533	8.7
97.10188	2.6
98.22709	2.0
99.08094	3.1
103.05489	1.2
105.04515	2.5
105.07027	30.3
106.07340	0.8
107.04958	9.1
107.08591	19.1
109.06514	22.0
109.10152	12.4
111.08043	3.7
113.06013	1.0
113.09671	1.2
115.05475	0.9
117.07016	9.2
119.06044	0.8
119.08582	24.0
120.08995	1.2
121.06504	4.9
121.10132	13.8
123.08074	6.9
123.11731	5.3
125.09642	2.6
127.07513	1.2
129.06972	4.2
131.08560	12.4
133.06499	1.2
133.10127	18.0
135.08083	5.1
135.11697	6.1
137.09619	4.6
137.13281	1.1
139.11169	1.6
141.06969	1.7
142.07878	1.0
143.08583	2.7
145.06465	1.2
145.10129	11.5
147.08063	1.9
147.11679	19.9
147.12840	1.2
149.09624	8.3
149.13254	6.9
151.11179	2.6
155.08528	0.9
157.10150	4.0
159.08206	0.9
159.11691	8.3
161.09660	1.0
161.13272	2.8
163.11171	7.6
163.14819	2.2
165.09074	0.7
165.12715	5.1
169.10136	1.9
171.11668	2.6
173.09686	1.8
173.13245	4.1
175.11229	3.8
175.14812	1.4
177.12787	2.9
179.14270	1.0
183.11685	1.6
185.13254	1.1
187.11188	1.9
187.14796	1.8
189.12773	1.2
191.10738	1.0
191.14233	1.5
193.12257	1.4
195.13855	0.7
197.13266	1.5
199.14848	1.0
201.12738	0.8
207.13812	1.4
219.13666	0.9
219.17459	1.3
223.13139	0.8
229.19495	3.2
239.17932	2.3
247.20566	5.4
255.15929	1.0
257.19046	7.7
259.20645	1.2
267.16019	2.0
269.17609	2.0
275.20059	87.1
276.20380	3.6
291.19354	1.0
293.21066	18.1
313.21497	0.7
328.91583	0.7
331.22189	0.9
333.24390	1.0
349.23724	59.8
350.23987	2.2
367.24771	100.0
368.25055	3.0
412.35248	0.7
543.36676	1.5
561.37970	1.3
567.40472	1.6
623.43011	23.1
624.43347	2.0
641.44104	30.2
642.44373	2.5
659.45123	34.9
660.45227	3.2
694.41010	1.6
695.29669	0.9
695.40948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13010	1.6
53.03942	3.5
55.01871	7.3
55.05516	30.6
57.03441	10.0
57.07075	3.6
64.85087	1.7
65.03942	5.7
67.05505	100.0
69.03429	2.5
69.07076	24.7
71.04984	14.5
77.03940	1.6
79.05498	61.8
81.07059	87.5
83.04986	2.8
83.08630	15.0
85.06545	5.0
91.05485	43.5
93.07047	67.6
95.04955	11.6
95.08017	3.6
95.08610	51.9
97.06528	9.7
97.10159	10.8
99.08078	2.2
105.04530	2.8
105.07023	29.0
106.96466	1.7
107.04948	2.4
107.08593	37.2
109.06527	5.3
109.10162	33.9
111.08054	4.6
117.07018	14.7
119.08578	25.5
121.10139	25.0
123.08089	2.4
123.11716	8.4
125.09585	8.1
129.06984	4.0
131.08575	20.4
133.10132	17.7
135.08121	2.5
135.11722	13.0
137.09583	2.1
142.52722	1.7
143.08543	3.7
145.10127	11.7
147.11694	6.4
149.09683	4.7
149.13239	10.0
157.10187	2.4
159.11725	11.0
161.13286	5.0
163.11188	4.1
165.09117	2.1
169.10133	2.6
171.11736	3.7
173.11749	6.0
173.13295	4.8
175.14827	1.8
185.13188	1.9
187.14732	2.7
189.11237	2.3
199.70743	1.7
201.16426	2.2
201.95576	1.9
227.12810	8.6
229.14319	17.1
257.18954	3.8
261.22202	7.9
275.20023	14.1
331.22787	2.0
335.25778	29.0
349.23663	6.8
409.15714	2.1
433.75464	1.8
489.36102	12.1
529.38892	81.2
530.39117	2.1
569.41974	3.3
609.45148	11.4
627.45709	2.4
641.47241	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03646	0.2
55.05497	0.3
56.96501	8.1
56.96809	0.9
71.95213	0.5
77.08234	0.2
78.33132	0.2
79.05404	0.7
81.07053	2.5
84.95963	0.3
97.96767	0.8
98.97498	0.7
99.49864	0.2
101.75786	0.2
105.00067	0.4
105.23075	0.2
110.97559	1.1
112.99107	0.2
115.00645	0.4
115.97789	0.4
123.01163	0.4
128.98604	1.8
137.02676	0.5
139.00629	0.3
141.02196	0.3
143.00044	0.2
146.99562	0.8
153.02200	0.3
155.03772	0.6
157.01653	0.4
159.03212	0.5
161.01204	0.5
161.02625	0.2
165.02109	0.2
167.03729	0.3
169.05292	0.3
171.03209	0.6
173.04802	0.4
175.02809	0.3
177.05763	0.3
181.05246	0.5
185.04857	1.5
187.06367	0.5
189.04272	0.5
190.05043	0.3
193.05411	0.2
195.06848	1.0
197.01094	0.3
197.08307	0.3
199.02737	0.3
199.06406	2.8
201.07848	0.4
203.05830	1.2
205.07439	1.2
211.06374	1.4
213.07980	7.6
217.07458	2.5
219.06844	0.3
219.08870	0.3
221.08479	0.5
223.02730	0.8
223.06427	0.4
223.08446	0.7
223.10236	0.3
225.07985	2.8
226.05101	0.2
227.05884	0.3
227.09500	0.5
229.07475	4.4
230.07750	0.3
231.06870	0.5
231.09007	6.4
232.09499	0.3
233.08453	0.5
237.04321	0.7
237.07959	1.5
239.09537	3.1
241.07526	0.3
241.11111	3.8
241.13339	0.5
242.08208	0.6
243.06685	0.3
243.09041	3.4
245.10507	0.5
247.08528	2.3
249.07906	0.4
251.09540	5.9
252.09555	0.3
253.11095	1.1
255.09050	6.9
256.09299	0.4
257.10565	1.9
258.07782	0.3
259.12195	3.7
260.09262	0.4
261.10211	0.5
262.08667	0.5
267.08978	0.7
269.10593	27.7
270.10931	1.0
271.12045	0.4
273.10052	2.7
278.10413	0.3
279.09009	2.6
280.09851	2.0
281.10614	0.4
285.10284	0.4
287.11642	9.0
288.11975	0.3
292.12241	1.5
297.10107	3.1
298.10876	1.2
303.16486	0.3
307.15881	0.5
310.13239	0.5
313.14783	0.7
315.11096	1.4
316.11804	0.6
321.17212	0.4
331.15765	9.7
332.16095	0.5
337.17300	0.3
349.16843	16.4
350.17053	0.5
367.17908	100.0
368.18256	4.8
372.18530	0.7
385.18961	12.6
386.19348	0.8
390.19846	0.4
399.33594	0.2
408.20557	5.2
436.22168	0.3
515.36737	0.4
532.11023	0.2
617.37268	0.2
677.39172	0.7
695.40662	20.0
696.41003	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	696.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05515	5.6
57.03422	0.8
57.07072	1.8
58.06585	0.7
61.02915	0.8
67.05504	4.3
69.03429	3.1
69.07065	8.0
70.06590	15.8
71.05000	3.6
71.06934	0.8
71.46146	0.6
72.08144	2.4
73.02906	0.9
79.05491	8.0
81.03411	3.4
81.07054	9.6
83.04964	0.8
83.08619	3.0
84.04493	1.2
84.08139	1.8
85.02403	1.2
85.02904	19.4
85.06538	1.1
86.09716	3.9
87.04460	0.8
88.03986	0.7
89.06034	3.9
91.05475	9.5
93.07049	13.0
95.04951	2.4
95.08019	1.1
95.08606	19.4
97.02901	5.8
97.06515	0.6
99.04452	8.9
99.07520	0.6
99.08079	3.7
100.11253	3.9
101.07133	0.8
103.03942	23.0
103.05460	1.7
105.07028	45.4
107.08590	21.7
109.02872	3.9
109.06550	0.9
109.10133	3.8
110.07172	0.7
110.09678	1.1
112.08714	1.4
113.07114	0.9
113.09664	3.1
115.08705	0.6
116.07094	4.9
117.07011	1.4
119.08578	53.4
120.08105	25.2
120.08832	0.9
120.10871	0.6
121.08453	1.9
121.10137	6.3
123.08081	1.4
123.11713	3.6
125.07088	0.7
126.05534	0.5
126.09175	1.0
127.03912	28.7
127.04865	1.4
128.10715	2.7
129.10228	1.4
131.04910	0.6
131.08546	1.6
132.37520	0.6
133.08530	1.5
133.10126	61.2
134.10460	0.6
135.11691	27.0
136.07570	1.7
137.06023	1.9
137.09593	3.3
142.73645	0.6
145.04962	19.3
145.10101	1.4
147.04440	0.7
147.11667	5.6
149.13246	2.8
159.11682	0.7
160.12526	1.1
163.06018	28.5
163.07310	1.1
173.13255	1.3
175.14816	100.0
176.15179	2.5
177.16376	1.0
182.15370	0.9
187.06058	1.1
193.15866	9.0
205.07063	1.2
207.06497	1.0
210.14903	1.3
215.05472	1.2
237.13513	0.8
255.06488	2.4
256.06866	1.9
263.13937	1.2
271.08081	4.5
276.13290	0.8
289.09155	3.8
307.10208	19.1
341.11447	0.8
373.13535	0.8
374.14377	1.1
487.15863	1.0
520.43164	0.7
577.56702	0.7
677.49927	1.3
678.49420	2.1
695.50604	1.0
696.36639	1.3
696.51697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05515	5.6
57.03422	0.8
57.07072	1.8
58.06585	0.7
61.02915	0.8
67.05504	4.3
69.03429	3.1
69.07065	8.0
70.06590	15.8
71.05000	3.6
71.06934	0.8
71.46146	0.6
72.08144	2.4
73.02906	0.9
79.05491	8.0
81.03411	3.4
81.07054	9.6
83.04964	0.8
83.08619	3.0
84.04493	1.2
84.08139	1.8
85.02403	1.2
85.02904	19.4
85.06538	1.1
86.09716	3.9
87.04460	0.8
88.03986	0.7
89.06034	3.9
91.05475	9.5
93.07049	13.0
95.04951	2.4
95.08019	1.1
95.08606	19.4
97.02901	5.8
97.06515	0.6
99.04452	8.9
99.07520	0.6
99.08079	3.7
100.11253	3.9
101.07133	0.8
103.03942	23.0
103.05460	1.7
105.07028	45.4
107.08590	21.7
109.02872	3.9
109.06550	0.9
109.10133	3.8
110.07172	0.7
110.09678	1.1
112.08714	1.4
113.07114	0.9
113.09664	3.1
115.08705	0.6
116.07094	4.9
117.07011	1.4
119.08578	53.4
120.08105	25.2
120.08832	0.9
120.10871	0.6
121.08453	1.9
121.10137	6.3
123.08081	1.4
123.11713	3.6
125.07088	0.7
126.05534	0.5
126.09175	1.0
127.03912	28.7
127.04865	1.4
128.10715	2.7
129.10228	1.4
131.04910	0.6
131.08546	1.6
132.37520	0.6
133.08530	1.5
133.10126	61.2
134.10460	0.6
135.11691	27.0
136.07570	1.7
137.06023	1.9
137.09593	3.3
142.73645	0.6
145.04962	19.3
145.10101	1.4
147.04440	0.7
147.11667	5.6
149.13246	2.8
159.11682	0.7
160.12526	1.1
163.06018	28.5
163.07310	1.1
173.13255	1.3
175.14816	100.0
176.15179	2.5
177.16376	1.0
182.15370	0.9
187.06058	1.1
193.15866	9.0
205.07063	1.2
207.06497	1.0
210.14903	1.3
215.05472	1.2
237.13513	0.8
255.06488	2.4
256.06866	1.9
263.13937	1.2
271.08081	4.5
276.13290	0.8
289.09155	3.8
307.10208	19.1
341.11447	0.8
373.13535	0.8
374.14377	1.1
487.15863	1.0
520.43164	0.7
577.56702	0.7
677.49927	1.3
678.49420	2.1
695.50604	1.0
696.36639	1.3
696.51697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.35991	0.7
55.05254	1.0
55.05509	13.5
56.54794	0.7
57.03426	5.4
57.07076	8.7
61.02925	25.3
65.03930	1.9
67.05502	60.9
68.05812	0.8
68.46840	0.7
69.03427	4.8
69.07066	19.5
71.04994	1.8
71.08299	0.7
71.08628	5.5
73.02911	8.5
75.04471	0.9
78.88991	0.7
79.05487	16.4
81.03410	1.9
81.07056	81.5
82.07382	1.3
83.04979	1.7
83.08623	18.0
85.02902	30.7
85.06523	2.0
85.10170	3.4
87.04485	0.9
91.03954	27.1
91.05472	14.7
93.07044	20.6
95.04964	1.9
95.08604	64.9
96.08970	1.0
97.02885	14.8
97.06522	6.5
97.10172	11.8
99.04449	2.5
99.08095	3.0
103.03955	0.8
105.07018	8.8
107.08591	15.8
109.02870	1.1
109.06510	0.9
109.10156	34.0
110.10549	0.8
111.08081	3.0
111.11703	2.6
112.07567	1.4
113.09628	2.1
115.03915	1.8
117.07011	0.9
119.08582	11.4
121.10139	19.4
123.08113	0.9
123.11704	20.9
124.78600	0.6
125.09628	1.8
125.13283	1.3
127.03926	10.2
127.11163	1.4
133.10132	13.3
135.11691	11.7
137.09557	0.8
137.13263	9.0
139.11154	1.0
139.14813	0.6
140.07043	1.3
141.12708	1.6
145.04973	15.1
145.94800	0.6
147.11664	11.6
149.13263	10.2
151.11150	1.7
151.14825	6.9
155.14313	3.4
161.13258	14.7
163.06023	27.7
163.14839	9.6
165.12776	1.9
165.16393	8.8
167.14325	1.2
175.14833	10.3
177.16359	1.8
179.14299	0.9
179.17914	6.5
181.15877	1.7
189.16350	5.0
203.17946	1.4
217.19521	1.1
219.21077	0.7
225.75461	0.7
245.22647	63.4
246.22952	2.6
247.16757	0.6
247.24219	0.8
263.23700	100.0
264.24023	3.9
265.25198	2.4
281.24780	3.2
290.43097	0.8
337.27353	45.6
338.27722	1.9
355.28418	14.1
356.28635	0.9
400.18747	0.9
499.32751	1.2
576.25372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96511	0.4
53.03939	1.3
53.68700	0.4
55.01873	1.2
55.05508	15.8
57.03437	6.4
57.07076	10.3
58.89985	0.4
61.02925	24.5
65.03940	1.7
67.05502	66.3
68.05836	1.0
69.03424	3.3
69.07066	25.0
71.04990	2.8
71.08627	4.5
73.02914	8.5
73.03291	0.7
75.04463	1.1
77.03919	0.5
79.05489	18.3
81.03425	1.6
81.07053	79.3
82.07378	1.1
83.04979	1.6
83.08617	19.3
85.02902	26.4
85.06548	3.1
85.10168	3.5
87.04487	0.6
91.03952	21.8
91.05477	13.2
91.06055	0.6
92.04321	0.5
93.07043	20.1
94.07365	0.5
95.04971	1.3
95.08603	70.1
96.04480	0.6
96.08913	0.8
97.02890	13.3
97.06525	5.8
97.10165	13.5
98.22718	1.2
99.04454	1.8
99.08081	4.0
101.02408	0.6
103.03907	0.5
105.03779	0.4
105.04517	0.8
105.07025	9.4
107.08593	15.9
108.08961	0.4
109.02879	0.9
109.06533	0.6
109.10153	36.9
110.10520	0.6
111.08070	3.0
111.11708	3.8
113.09624	2.3
115.03932	1.6
117.07049	0.6
119.08576	11.0
121.10139	22.0
123.08083	0.8
123.11704	19.0
125.09631	2.1
125.13273	1.3
127.03918	8.7
127.11207	1.2
131.08585	0.7
133.10127	14.3
134.10460	0.6
135.11694	11.9
137.09624	2.5
137.13246	7.2
139.11176	1.1
139.76820	0.4
140.07048	0.5
141.12743	3.2
142.10138	0.4
145.04959	11.9
145.10141	0.5
147.11676	11.1
149.13260	10.6
151.11183	1.4
151.14816	5.9
153.12752	0.9
153.16362	0.5
155.14284	3.3
161.11887	0.7
161.13245	13.3
162.13667	0.6
163.06009	20.3
163.14796	9.8
165.12759	1.6
165.16377	8.3
167.14311	1.4
169.15900	0.7
175.14809	8.6
177.16422	1.3
179.14310	1.6
179.17921	6.5
179.19331	0.6
181.15881	0.9
189.16376	4.9
191.18015	0.5
193.15877	1.5
195.17395	0.4
203.17935	1.5
207.17354	0.8
217.19505	1.5
245.22643	59.7
246.22980	1.8
263.23694	100.0
264.24048	3.6
265.25195	1.8
281.24796	2.7
282.25037	0.4
329.82712	0.4
337.27347	67.3
338.27731	2.4
355.28400	16.9
355.32846	0.9
356.28650	0.8
421.29593	0.5
432.63806	0.4
463.30441	0.7
481.31073	0.4
499.32571	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01875	4.8
55.05512	36.2
57.03433	8.6
57.07087	5.1
65.03947	4.1
67.05160	5.9
67.05508	100.0
69.07071	28.2
70.06586	4.8
71.04978	6.6
75.51158	3.6
79.05491	57.1
81.07056	67.4
83.04980	9.0
83.08641	17.0
85.06541	4.8
91.05479	61.6
93.07048	62.1
95.04977	14.5
95.08619	48.8
97.06529	7.3
97.10159	11.3
98.23505	8.1
98.91528	3.5
105.07037	57.2
107.04938	6.1
107.08597	41.9
109.06509	5.1
109.10159	59.4
111.08109	4.7
113.37244	3.8
117.07008	22.5
119.08580	51.9
120.84480	3.5
121.10152	27.2
123.11712	8.4
125.09612	5.6
129.07014	12.2
131.08569	27.4
133.10139	41.4
135.11723	17.7
137.09590	6.4
141.06966	3.9
142.07811	3.9
143.08569	15.6
145.10094	25.2
147.11693	28.9
149.13283	8.0
150.66519	4.2
157.10130	15.0
159.11696	22.4
161.13292	20.8
169.10155	8.0
171.11705	12.2
173.11728	12.5
173.13321	11.6
175.14804	8.3
183.11687	7.7
185.13297	11.2
189.11124	4.7
197.13252	6.7
209.13237	5.6
227.12732	8.4
229.14331	38.4
241.19464	16.5
259.20547	45.4
261.22128	4.3
267.15945	5.1
269.17545	4.2
269.42227	4.1
275.20163	16.2
315.23047	6.8
333.24274	38.9
334.24609	4.2
349.23773	6.5
364.23907	3.8
367.24731	16.1
435.32501	5.5
487.34113	9.7
505.35181	15.7
513.35645	7.2
515.37689	10.5
527.37305	27.0
545.37640	5.2
607.43652	25.1
625.44403	23.0
718.26819	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	697.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95677	0.1
65.03940	0.2
69.14809	0.8
70.06591	2.0
70.71675	0.1
72.08154	0.4
74.02443	0.7
84.04507	0.2
84.08137	0.4
85.02909	0.2
86.09705	4.9
89.46397	0.1
90.39383	0.1
91.05479	14.7
92.05826	0.2
93.07049	0.4
107.04964	0.7
109.06490	0.4
110.07148	0.3
112.07610	0.1
116.07069	0.1
118.06549	0.7
118.59795	0.1
119.04939	12.9
120.05287	0.2
120.08103	0.3
121.06503	3.4
123.33923	0.1
129.10275	0.3
130.08623	0.8
132.10201	1.9
136.07573	100.0
137.07928	1.7
147.04410	0.6
201.12376	0.2
204.13940	0.1
205.12231	0.3
222.31834	0.1
223.13300	0.4
232.13330	0.1
236.12755	0.3
249.15939	1.1
250.14346	0.6
277.15607	0.2
278.13879	1.9
279.87744	0.1
295.16519	47.5
296.16840	1.5
441.14407	0.2
462.45029	0.1
599.12402	0.1
697.33954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.05513	24.9
57.03443	8.6
57.07078	20.4
58.59152	1.7
61.02932	35.0
67.05509	40.0
69.03432	3.8
69.07073	49.1
71.05003	2.1
71.08645	10.5
73.02926	12.2
75.04490	2.3
79.05492	17.2
81.03415	1.8
81.07058	47.0
83.08625	40.5
85.02912	36.5
85.06559	2.8
85.10186	6.3
90.36464	1.5
91.03962	31.9
91.05453	2.3
91.69031	1.5
93.07047	21.6
95.08019	3.4
95.08616	53.4
96.37318	1.6
97.02891	19.4
97.06541	8.6
97.09602	2.4
97.10181	27.2
99.04469	2.6
99.08128	2.7
107.08605	16.7
109.10164	22.0
111.08089	6.6
111.11760	9.2
115.03969	1.9
121.10146	41.2
123.11723	10.5
125.09661	3.6
125.10801	1.6
125.13317	2.2
127.03951	11.6
135.11699	37.6
137.13272	5.3
139.11218	2.6
145.04958	15.2
149.13248	17.1
151.14816	6.4
161.94250	1.6
163.06024	29.7
163.14825	5.2
165.16408	4.1
167.14250	2.0
177.16426	4.6
191.17845	2.3
198.97514	2.6
247.24217	36.8
265.25281	95.8
283.26270	20.6
330.01987	2.0
339.28958	100.0
340.08197	1.7
340.29349	1.8
353.46484	1.8
357.30023	84.4
358.30331	3.0
498.36411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05256	1.7
55.05514	28.1
57.03438	7.1
57.06816	1.3
57.07077	16.1
61.02634	1.5
61.02928	23.7
64.76243	0.9
67.05507	35.2
69.03426	3.4
69.07070	47.0
71.04997	2.5
71.08624	9.6
71.36181	0.8
73.02917	9.6
75.04489	3.2
78.13538	0.9
79.05497	15.1
80.12928	0.9
81.03404	1.1
81.07058	42.9
83.08623	36.2
85.02908	28.1
85.06554	2.4
85.10179	6.3
87.25538	0.7
91.03956	20.6
91.05467	1.7
93.07046	20.9
95.08609	44.5
97.02897	14.5
97.06529	8.5
97.10176	27.1
97.10815	1.0
98.23450	1.7
99.04491	1.4
99.08109	2.4
103.03944	1.2
107.08595	16.0
109.10161	21.0
111.08106	6.6
111.11729	9.7
113.09645	1.2
115.03950	1.9
121.10146	43.9
123.11697	9.5
125.09612	3.6
125.13268	1.7
127.03920	8.4
135.11694	33.1
137.13237	4.6
139.11238	4.1
145.04964	11.8
149.13258	15.0
151.14827	5.1
153.12738	2.1
163.06018	18.1
163.14835	5.8
165.16382	5.3
167.14343	1.6
171.13925	1.3
177.16393	2.1
191.17979	1.7
195.17432	1.7
205.19434	1.2
209.18927	1.2
247.24214	35.5
265.25275	91.5
266.25595	3.1
283.26312	18.9
316.53912	1.0
339.28937	100.0
340.29263	3.4
357.29999	67.8
358.30130	1.7
479.21100	1.1
501.34207	5.9
663.39325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23041	0.1
60.55802	0.1
66.37319	0.1
67.05465	0.2
67.55891	0.1
69.61134	0.5
81.07003	0.2
96.96794	0.1
112.72046	0.1
161.02988	0.1
165.25122	0.1
185.04224	0.7
203.05237	2.0
245.06310	0.1
259.07941	1.3
275.07327	0.2
301.19995	0.4
305.08469	0.6
329.08310	0.1
347.09494	1.5
365.06000	0.2
365.10547	3.3
421.13101	1.5
526.43152	0.1
537.30328	18.2
538.30670	0.8
642.21649	0.2
699.35553	100.0
700.35870	4.7
707.21234	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64935	0.2
69.68385	0.5
69.68756	0.6
86.87363	0.2
87.04472	0.4
98.22721	0.3
136.37408	0.2
149.02336	0.3
150.02765	0.3
171.70126	0.3
185.04271	0.5
193.04979	0.4
195.39154	0.2
203.05219	0.3
259.07974	0.6
265.12189	0.2
301.20386	0.5
347.09549	1.4
375.25177	0.3
377.94418	0.2
421.12854	0.3
537.30316	19.0
538.30841	0.8
594.58331	0.3
649.52661	0.3
653.92938	0.3
699.35583	100.0
700.35803	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	699.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35153	0.4
54.57463	0.4
56.05037	2.5
58.30777	0.3
62.42029	0.3
66.48862	0.3
67.05473	0.4
69.03441	0.5
69.30395	1.8
70.06592	85.0
71.06927	0.8
72.08155	2.7
75.05608	1.0
75.80473	0.4
76.85050	0.3
77.85253	0.4
82.06596	2.4
84.04507	5.8
84.08143	100.0
85.02916	1.5
85.03590	0.4
85.04057	0.5
85.08473	1.0
86.09193	0.8
86.09705	12.4
87.10049	0.4
96.04496	0.5
96.08140	2.4
98.06056	1.1
101.10787	1.2
102.05537	3.4
110.07188	1.2
111.09219	3.5
112.07624	1.7
112.08781	0.4
113.10802	0.7
116.07123	0.7
118.08691	1.0
123.09207	1.8
127.03951	0.7
127.08680	5.6
127.96940	0.5
128.07112	0.8
129.10242	62.2
130.05060	0.4
130.08653	0.8
130.10641	0.8
131.08133	0.9
136.07578	1.1
137.06046	0.5
138.12782	0.8
138.60132	0.4
139.08661	4.8
141.06596	0.5
141.10240	5.5
151.08667	3.0
152.07045	0.6
152.14365	1.4
155.08153	9.6
157.09821	1.3
159.07608	0.6
165.06688	0.5
168.10117	0.7
168.11366	2.7
169.09712	5.2
170.11887	0.4
173.09267	1.1
175.10829	2.1
177.05461	0.4
177.10233	2.7
181.13342	0.8
183.14992	1.2
186.12375	20.6
193.09799	1.0
195.11299	5.6
195.14928	0.5
197.12808	2.3
197.16486	2.3
199.14621	0.5
205.09732	9.4
205.11559	0.7
211.07524	0.7
211.10764	2.7
211.14461	0.8
213.12402	1.4
215.13921	2.8
220.10832	1.0
221.09352	0.7
221.44908	0.5
222.12346	2.2
223.10820	1.9
225.12463	0.6
230.11356	0.6
237.15985	3.2
239.10262	1.4
240.13431	6.3
243.10289	1.2
243.13382	0.9
244.16733	0.6
252.13445	0.7
252.17163	0.6
253.11868	0.9
254.15044	0.8
254.18669	0.9
257.11258	2.5
258.14563	1.0
262.11862	1.8
264.16956	0.6
266.15100	1.0
268.12909	2.3
269.11502	0.5
269.15854	0.5
270.18170	1.3
271.12927	0.5
272.16049	24.0
273.16376	0.5
279.14429	0.6
280.12973	1.9
281.19708	1.7
286.13959	4.7
295.09680	0.4
297.15588	10.2
299.20953	0.9
308.20050	0.5
315.16644	10.0
353.22076	0.5
365.21722	0.6
371.22989	0.9
381.21564	0.7
383.23099	0.6
385.24435	5.0
393.21481	1.2
399.22531	4.0
400.25623	4.4
407.67789	0.4
410.23859	3.2
411.22531	1.5
412.21729	0.6
428.25046	37.7
429.25366	1.5
514.29089	0.7
519.16388	0.4
525.30255	2.4
582.32245	0.6
629.94861	0.5
652.36603	0.6
681.39392	1.7
699.40375	78.4
700.40753	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	699.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80628	0.9
67.05503	1.2
67.93053	0.7
81.07054	1.9
88.32915	0.7
91.05524	0.9
93.07041	1.2
95.08627	1.2
96.73212	0.8
220.95197	0.9
223.12445	0.8
276.64627	0.8
285.46176	0.8
333.20294	1.2
336.20728	1.0
421.64655	1.0
699.42432	100.0
700.42700	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	699.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94331	1.3
67.05528	3.0
71.31901	1.2
77.82233	1.3
79.05512	1.9
81.07072	1.7
93.07087	1.7
109.04691	1.5
115.82948	1.4
173.21729	1.5
181.60648	1.2
192.28813	1.9
237.87895	1.3
290.53070	1.2
333.20120	1.5
489.94754	1.3
699.42609	100.0
700.42816	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	699.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.7
69.07062	0.8
70.75235	0.6
76.79128	0.5
79.05469	0.8
81.07055	2.1
84.82967	0.5
91.05444	0.6
93.07039	1.3
95.04979	0.5
95.08624	1.0
105.07033	1.4
107.08592	0.6
108.08949	0.5
109.10157	0.6
117.07012	0.6
119.08504	0.5
124.93780	6.1
177.12997	0.6
194.97861	0.5
293.58371	0.6
321.16565	0.5
331.10498	3.2
333.20630	2.7
389.22974	1.8
393.05756	0.6
401.14545	1.7
431.15677	1.0
699.27777	26.4
699.42798	100.0
700.28290	2.9
700.42987	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	699.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47855	0.6
55.03249	0.6
55.05507	2.1
56.96285	1.0
56.96567	19.6
58.38625	0.6
61.02931	0.6
67.05499	1.3
71.95243	0.8
73.02900	0.9
78.30907	0.5
79.05488	0.6
81.07043	1.9
83.08625	2.2
85.02887	1.1
86.09729	0.8
91.05517	0.6
93.07040	0.8
96.72932	0.5
97.96848	0.7
110.97581	1.6
115.00663	0.8
116.59145	0.5
123.01197	0.9
123.11745	0.6
123.35887	0.5
128.98560	1.1
129.45639	0.5
137.02721	1.4
141.02188	0.8
144.11487	0.6
146.99586	0.7
153.02235	0.7
155.03822	1.1
159.03265	0.8
161.04880	0.7
167.03798	1.0
171.03264	1.1
173.04909	0.8
176.57983	0.6
185.04741	0.9
189.07996	1.7
195.07014	2.0
199.06407	3.8
203.05864	1.7
207.06880	1.1
207.08862	0.6
211.06346	1.2
213.07974	12.7
217.07521	4.1
221.08525	1.2
223.10092	2.2
225.07916	5.0
225.11603	0.7
229.07520	5.5
231.09029	14.4
235.10228	0.8
236.09682	0.8
237.07985	2.5
239.09558	6.3
241.11128	13.5
243.09048	3.6
247.08430	2.7
251.09500	10.4
252.09563	0.7
253.11101	1.8
254.10815	0.7
255.09035	5.8
257.10605	5.0
259.12231	12.1
264.12689	0.8
269.10605	53.6
270.11005	1.4
271.12115	0.8
273.10092	2.0
287.11661	19.7
288.11862	0.7
292.12247	5.2
310.13394	0.8
315.16412	1.7
323.18985	0.9
333.17334	20.0
334.17755	1.2
339.18411	1.6
351.18414	40.7
352.18793	1.8
369.19479	100.0
370.19751	5.4
374.20044	3.1
387.20541	72.9
388.20840	3.4
392.20901	1.4
410.22147	13.4
411.22427	0.9
448.65591	0.6
469.20264	1.2
530.92676	0.7
581.33789	0.7
637.35522	1.0
681.42432	2.0
699.34094	13.6
699.43201	35.0
700.33722	2.8
700.43787	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	699.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
57.03439	0.3
67.05499	2.2
69.07065	1.9
69.60856	0.8
71.04976	0.2
79.05494	1.9
81.07056	3.4
83.04983	0.4
83.08640	0.7
84.94820	0.2
91.05484	1.7
93.07043	1.9
93.16830	0.3
95.04978	0.6
95.08621	1.5
97.06486	0.3
105.07022	1.1
107.08611	1.5
109.06575	0.3
114.26833	0.2
117.07033	0.4
119.08631	0.9
121.10159	0.9
123.08080	0.4
133.10132	0.6
135.11671	0.3
145.10162	0.5
147.11774	0.5
161.13226	0.2
161.77623	0.3
275.19940	0.3
333.20349	9.5
389.22922	5.5
628.45496	0.2
699.44373	100.0
700.44678	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	699.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36524	0.2
53.03948	0.2
55.01868	0.2
55.05516	0.9
57.03439	0.4
57.23981	0.2
63.85742	0.2
65.03944	0.2
67.05507	2.4
69.07067	2.0
71.04996	0.2
79.05497	2.0
81.07056	4.8
83.04983	0.4
83.08624	0.5
91.05484	1.3
93.07036	1.5
95.04988	0.4
95.08606	1.5
105.07032	1.4
107.04946	0.2
107.08610	0.8
109.06522	0.6
109.10133	0.2
111.08083	0.2
117.06985	0.3
119.08588	0.9
120.06313	0.2
121.06535	0.2
121.10152	0.7
121.61456	0.2
123.08120	0.2
123.11715	0.4
131.08586	0.5
131.29446	0.2
133.10146	0.8
135.11734	0.4
138.50433	0.2
142.66142	0.2
145.10133	0.2
147.11729	0.7
149.09610	0.2
149.13362	0.2
157.10101	0.3
159.11642	0.3
275.19971	0.2
284.31314	0.2
306.58273	0.2
324.23074	0.2
333.20352	9.6
334.20789	0.4
389.22986	5.2
405.22079	0.2
461.24918	0.2
571.35950	0.5
645.45081	0.3
699.44342	100.0
700.44690	8.2
700.57013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
56.05038	0.6
57.03436	1.3
58.06602	2.7
59.99496	0.3
65.03937	0.4
67.05516	1.8
69.07063	1.2
70.06594	1.6
71.07404	0.3
71.44776	0.3
72.08164	1.0
81.07058	1.5
83.08624	0.5
84.08144	4.8
85.06529	0.5
88.07632	0.8
91.05479	10.8
95.08613	1.7
96.08147	0.3
98.09663	0.5
105.07048	1.1
107.59151	0.3
109.10172	1.0
112.11249	0.5
117.07037	0.8
123.11656	0.4
131.08585	1.1
132.57887	0.3
141.44711	0.3
149.02312	1.0
159.08067	0.3
193.04974	0.9
213.62837	0.3
260.23663	0.6
269.07410	0.3
282.60135	0.3
304.56387	0.3
314.28403	13.2
314.79437	0.3
315.28751	0.5
332.29465	100.0
333.29810	2.7
349.60477	0.3
385.08334	0.3
387.03867	0.3
392.98154	0.3
533.07782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05515	0.3
67.05501	2.3
69.07079	0.3
71.21587	0.3
79.05482	0.7
81.07069	1.1
83.08652	0.4
91.05482	0.8
93.07050	0.4
95.08617	0.5
97.06538	0.5
105.07030	0.8
109.10144	1.5
110.10486	0.5
119.08569	0.7
131.08557	0.3
133.10149	0.5
149.02409	0.4
159.11635	0.3
173.11671	0.3
185.04269	0.8
212.13785	0.3
229.14241	1.5
230.14772	0.7
259.07968	0.4
275.20197	0.8
276.20447	0.7
342.96613	0.3
347.09711	1.6
421.13528	0.6
503.33575	1.2
504.34079	3.4
537.30713	0.4
538.19537	0.6
539.31873	19.1
540.32245	1.4
701.37109	100.0
702.37524	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	701.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.2
57.00600	0.1
67.05507	0.9
71.46702	0.1
79.05458	0.2
80.89742	0.1
81.07001	0.4
91.05402	0.2
93.06992	0.3
95.08549	0.3
105.06984	0.2
107.08589	0.1
109.10101	0.5
119.08524	0.3
125.76997	0.1
129.06929	0.2
133.10080	0.3
151.16531	0.1
158.95740	0.1
166.58319	0.1
171.11565	0.1
173.11638	0.1
185.04224	0.6
203.05270	1.9
215.77266	0.1
229.14365	0.5
259.07874	1.5
259.20566	0.4
289.08853	0.1
301.72958	0.1
305.08310	0.4
321.22668	0.2
330.02640	0.1
333.16995	0.1
333.24298	0.2
347.09518	1.5
348.14011	0.1
364.86987	0.1
365.10568	3.6
366.10791	0.1
421.13272	1.1
539.31909	19.5
540.32367	1.1
545.53552	0.1
590.20850	0.1
641.46222	0.1
701.37128	100.0
702.37506	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	701.4602
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
51.59666	0.5
55.05505	1.1
57.03447	0.6
65.09117	0.6
67.05508	4.1
67.77322	0.5
69.07075	2.5
79.05497	2.8
81.07061	2.6
83.05013	0.7
83.08617	1.2
83.62612	0.6
91.05484	2.6
93.07053	3.6
95.08635	1.9
97.10181	0.8
105.07057	1.5
107.08601	1.3
109.10146	1.4
117.07020	0.7
119.08580	1.6
121.10210	0.8
125.09612	0.6
131.08614	0.9
133.10115	0.8
145.10150	0.7
147.11671	0.7
149.13217	0.7
155.86707	0.5
199.27446	0.5
228.97722	0.5
317.20807	0.8
337.97891	0.6
351.21381	7.4
373.23538	0.8
407.24152	5.0
632.44641	0.6
659.72266	0.7
701.45990	100.0
702.46625	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	702.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.40794	0.5
53.78092	0.6
55.01868	3.7
57.03416	2.5
61.02929	3.5
69.03428	9.5
69.23816	1.1
69.24226	2.1
70.06573	2.0
71.04967	1.2
72.08119	0.6
73.02908	1.2
81.03413	4.1
83.01351	0.6
84.08132	0.6
85.02903	31.9
86.09691	0.6
87.04455	0.8
91.03938	1.6
97.02890	11.8
99.00788	2.6
99.04447	1.7
105.03389	0.7
107.04956	5.6
109.02873	6.1
115.05488	0.6
117.01824	1.5
119.05025	0.5
123.04420	9.4
127.03924	8.7
129.10214	0.7
135.04410	19.0
136.05167	2.0
137.02309	2.2
137.06012	0.8
144.06541	0.5
145.04956	10.9
147.04430	1.1
149.02330	0.8
152.06169	0.8
153.06967	3.3
154.39757	0.6
157.06485	0.6
159.04352	0.7
161.05980	2.3
162.07608	1.6
163.03911	4.2
163.05998	4.1
165.01814	1.5
167.08562	0.8
175.03891	0.6
177.05464	0.6
177.06999	1.7
179.21265	0.5
180.08679	6.2
181.06462	8.3
187.03867	0.7
195.08018	1.5
197.05928	0.7
199.07574	6.9
203.03453	0.7
205.04749	1.4
205.06488	12.4
209.05974	2.5
213.05576	0.8
215.03355	0.8
217.08444	0.7
223.07545	15.5
224.08093	0.6
226.06133	0.7
227.07019	5.1
233.03944	1.1
233.06027	14.8
234.06445	0.7
235.07394	0.7
237.05461	1.5
241.08679	1.7
245.08092	34.7
246.08551	0.8
250.06192	1.0
251.07037	41.8
252.07407	1.9
255.06517	1.9
261.05530	8.7
262.06229	0.7
263.06943	0.9
269.08075	36.6
270.08432	1.5
278.19934	0.6
279.06516	74.9
280.06735	2.8
289.05017	2.2
297.07571	82.9
298.07953	2.5
307.05994	23.2
308.06586	2.0
325.07053	100.0
326.07437	4.1
343.08121	57.8
344.08484	1.8
361.09103	3.7
378.11847	2.1
702.36853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	2.6
57.03435	1.2
61.02916	2.5
69.03130	0.6
69.03439	7.7
69.39064	1.1
69.39441	1.0
71.01363	1.1
71.04977	0.9
72.08131	0.6
73.02902	1.0
79.05479	0.8
81.03422	3.4
85.02904	23.5
89.03919	1.3
95.04966	0.9
97.02893	8.5
98.23453	1.0
99.00813	14.2
99.04420	1.6
107.04247	1.1
107.04955	16.6
109.02873	7.6
111.04460	1.1
113.24440	0.5
115.05412	0.8
117.01849	6.0
117.03329	1.1
121.02806	0.6
123.04420	12.6
124.78330	0.6
127.03918	7.3
128.04245	0.6
129.07031	0.7
135.04416	49.5
136.05255	6.7
137.02341	1.7
137.05942	1.1
139.03886	1.2
143.04916	0.9
145.02895	2.3
145.04964	7.8
149.02321	1.0
152.06235	0.9
153.06985	7.1
159.04309	0.7
159.41824	0.7
161.05989	1.0
162.07645	1.3
163.03900	24.1
163.05896	3.0
164.04225	1.4
165.01855	1.3
168.95682	0.6
171.07947	1.1
175.03859	1.0
177.07019	2.1
180.08664	1.5
181.04936	10.8
181.06493	18.2
187.03926	1.3
189.05458	0.6
189.06924	0.6
195.08080	2.3
199.07547	15.8
205.04778	1.4
205.06503	10.4
209.05943	4.3
217.08542	0.9
223.05342	0.6
223.07536	13.4
224.07907	1.1
226.06161	0.7
227.07019	10.5
233.03946	0.9
233.06007	12.0
234.06435	0.8
235.07535	1.0
244.07326	2.0
245.08095	100.0
246.08403	4.2
251.07048	37.5
252.07471	1.7
255.06516	1.3
261.05591	8.0
269.08093	28.4
269.11038	1.4
270.08514	1.3
279.06519	60.4
280.06915	3.0
289.04935	2.0
297.07571	70.0
298.07990	3.3
307.05997	16.8
308.06491	0.9
313.06979	1.6
314.07526	1.2
315.07724	1.7
325.07056	79.5
326.07404	3.3
343.08124	36.0
344.08453	2.3
361.09155	6.1
457.22357	0.6
573.44788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01880	1.5
57.03434	0.6
60.04527	0.4
61.02919	1.1
67.23124	0.3
69.03426	3.1
69.81985	0.3
70.06603	2.3
70.68431	0.5
71.01340	1.1
71.05000	0.4
72.08156	0.4
74.06094	0.4
79.05489	0.9
81.03419	2.0
84.04504	0.4
84.08139	0.9
85.02906	10.9
85.96021	0.3
86.09708	1.7
87.04459	0.4
89.03922	0.5
91.03966	0.7
91.05471	0.3
95.04985	0.5
97.02895	4.0
99.00819	13.9
99.04465	0.6
107.04954	13.9
109.02880	4.8
110.03764	0.3
111.04444	0.8
115.05473	0.7
116.07118	1.2
117.01855	5.5
117.03367	0.5
123.04429	8.1
123.05274	0.6
126.44380	0.3
127.03924	2.8
129.10228	0.6
133.02844	0.8
135.04417	45.5
136.05220	7.4
137.02364	1.2
137.05963	1.3
139.03932	1.1
143.04918	1.0
143.08586	0.4
145.02835	0.4
145.03958	0.6
145.04970	3.3
147.04482	0.4
152.06232	0.6
153.05835	0.5
153.07005	7.7
157.06485	0.8
159.04385	0.5
160.05263	0.4
161.05971	4.1
162.07605	0.6
163.03915	5.0
163.06059	0.8
165.01859	0.8
169.06468	0.4
171.08067	1.0
177.05521	0.4
177.07005	0.9
180.08670	1.2
181.05028	0.8
181.06482	17.6
182.06812	0.5
187.03897	1.1
189.05412	0.4
195.08072	1.0
199.07558	14.0
200.07861	0.7
205.04938	2.9
205.06528	4.0
209.05942	5.0
217.08575	1.1
223.07536	6.9
227.07033	9.3
233.04309	1.5
233.06245	5.8
235.07567	0.4
237.05521	0.6
242.05780	0.5
244.07336	1.1
245.08098	100.0
246.08444	2.7
250.06157	0.4
251.07092	16.8
252.07507	0.9
255.06537	0.6
261.05490	4.0
269.08105	13.3
270.08313	0.7
279.06525	30.3
280.06958	1.3
289.04944	1.1
297.07578	31.5
298.07953	1.3
307.06021	8.7
308.06451	0.9
325.07065	38.4
326.07367	1.4
343.08145	23.7
344.08575	0.8
361.09174	5.6
539.19464	0.4
702.38733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49486	0.5
55.89606	0.4
57.03429	0.8
59.13163	0.4
61.02909	1.2
69.03426	2.0
81.03408	0.8
85.02903	9.5
91.03941	0.7
91.05489	0.5
97.02919	2.2
99.04469	0.5
109.02875	0.5
120.26897	0.4
123.04391	0.4
127.03881	2.8
128.06194	0.8
129.07011	3.2
131.08577	4.6
133.04979	0.5
137.05943	1.4
141.07018	3.4
145.04939	3.9
145.06029	0.5
145.06468	0.6
157.06482	3.2
158.07263	2.0
159.08051	4.1
160.05164	0.6
161.09642	0.7
163.06003	1.7
169.06421	1.5
170.07188	0.5
173.05927	0.5
174.06750	9.6
175.07541	2.6
179.81879	0.4
186.06815	2.3
189.09090	20.2
191.10681	1.5
201.07365	0.8
201.09122	7.2
203.10616	1.1
207.10178	0.5
214.46609	0.4
219.10155	100.0
220.10504	2.5
237.11192	3.3
240.86530	0.5
305.25519	0.4
702.39825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03938	1.2
55.01870	2.2
55.05511	13.9
55.30247	0.8
57.03436	10.8
57.07074	3.3
59.04991	4.1
61.02919	3.2
65.03938	4.0
66.77468	0.8
67.05503	100.0
69.03428	2.0
69.07065	7.3
71.04995	4.2
79.05038	1.7
79.05493	28.3
81.03440	1.1
81.07059	29.6
83.04982	1.1
83.08625	9.2
85.02911	2.6
85.06545	4.4
88.07632	1.3
91.03972	1.5
91.05481	36.4
93.06451	1.6
93.07041	31.5
94.07365	1.1
95.04959	4.6
95.08604	18.5
97.02886	2.3
97.06554	2.3
97.10164	2.5
99.08122	1.6
102.09162	1.0
103.05480	1.5
105.04557	1.7
105.07030	38.5
107.08591	20.6
109.06524	1.2
109.10156	75.8
110.10503	1.1
111.08095	3.8
115.05442	1.6
117.07020	9.3
119.01215	0.9
119.08580	36.3
121.10135	14.0
123.08092	1.7
123.11735	1.4
125.09662	2.6
128.06282	2.0
129.07005	7.1
131.08575	13.2
133.10130	27.5
135.08067	2.0
135.11684	12.4
137.09627	3.7
143.08580	6.3
145.10123	10.6
147.11682	25.1
149.02359	2.5
149.13274	5.8
150.71455	0.8
151.11194	1.3
155.10689	5.5
157.10147	6.0
159.11693	13.0
161.13261	19.0
161.14517	1.4
163.11224	1.0
163.14885	1.2
170.89101	0.8
171.11690	9.4
173.11768	21.4
173.13286	6.4
175.14799	5.7
183.11664	2.3
185.13272	5.3
187.14844	2.1
189.11209	1.7
193.04921	1.2
199.14867	2.5
213.16415	1.7
217.15857	1.0
227.12775	8.0
229.14343	65.5
230.14706	1.6
231.21147	5.9
235.61314	0.8
241.19499	20.6
241.21832	1.3
243.21182	2.1
256.26370	1.8
257.18988	1.5
259.20584	69.6
260.20959	1.9
261.22250	3.4
275.20120	1.1
315.23236	3.7
333.24246	43.4
334.24695	1.2
351.25571	1.0
395.29459	1.5
469.33084	1.9
473.13730	0.8
487.34167	25.0
488.34842	1.3
505.35233	25.6
506.35428	2.0
540.32324	3.5
595.37274	1.2
613.36743	1.2
649.39581	1.4
702.37567	31.5
703.37665	3.0
734.38470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01870	5.1
55.05513	48.3
55.05782	2.5
57.03436	13.5
57.07072	2.2
61.02932	3.3
65.03947	1.8
67.05505	50.3
69.03425	7.1
69.07065	14.8
71.08632	1.6
73.02899	1.1
79.05037	2.3
79.05491	35.7
81.07057	44.8
83.04984	3.7
83.08618	35.7
83.09097	2.3
85.02895	4.3
85.06549	1.8
86.09724	1.2
89.06015	1.2
91.03964	1.4
91.05482	15.4
93.07044	35.4
95.04966	3.1
95.08603	31.9
95.09218	1.7
97.02890	2.0
97.06515	1.5
97.10171	63.2
98.10503	1.3
98.23502	3.0
105.07026	8.3
107.08592	34.6
109.06548	1.5
109.10150	17.2
111.08092	3.7
117.07042	6.1
119.06035	1.3
119.08565	6.6
121.10149	14.3
121.87527	1.3
123.08088	1.4
123.11687	4.8
124.99979	1.3
125.09631	61.9
126.09986	1.1
131.08565	7.4
133.10110	6.6
135.08087	6.3
135.11702	10.6
137.13246	2.0
143.10635	2.8
145.10104	5.1
147.11667	3.9
149.13287	6.7
153.09096	4.5
159.11662	6.5
161.13222	3.3
163.14833	4.0
171.10167	4.6
173.13266	5.0
175.14784	1.3
184.07336	3.4
187.14772	2.4
189.11218	50.4
201.16354	1.4
227.12776	78.5
227.20146	2.3
228.13123	1.9
228.40900	1.2
243.21092	7.8
245.13840	100.0
246.14323	2.1
261.22144	29.4
273.12952	1.1
279.23138	2.6
288.66632	1.1
317.24738	4.3
335.25797	91.4
336.26169	4.9
406.26730	1.2
431.31406	1.4
487.34137	7.3
505.35242	74.6
506.35336	4.6
523.36200	4.0
573.47577	1.4
702.46039	5.0
703.47687	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.2
55.05510	39.4
57.03442	10.6
57.07085	2.5
61.02922	3.7
65.03947	1.8
67.05503	45.5
69.03427	5.0
69.07050	11.2
71.04999	1.5
73.03310	1.3
79.05492	31.5
81.07054	35.2
83.04993	3.8
83.08613	28.1
85.02907	2.8
85.06564	1.9
91.05481	10.6
93.07040	26.9
95.04970	3.1
95.08600	23.2
97.10167	55.9
99.81847	1.2
105.07001	8.5
107.08591	27.6
109.10161	16.6
111.08107	2.5
117.07044	5.4
119.08600	6.8
121.10140	11.7
122.00078	1.3
123.11707	4.5
125.09631	57.6
131.08588	5.6
133.10132	6.5
135.08086	5.4
135.11696	6.5
137.13225	1.6
143.10686	4.0
145.10146	4.2
147.11696	4.1
149.13257	5.3
153.09140	3.6
158.19185	1.3
159.11720	4.0
161.13257	2.3
163.14821	2.3
171.10181	4.6
173.13298	4.1
175.14801	2.8
184.07375	3.4
187.14850	2.1
189.11203	41.1
227.12769	70.9
228.13139	1.6
233.22681	1.4
243.21098	5.6
245.13834	100.0
261.22137	21.4
279.23282	3.1
316.22858	1.7
317.24664	3.1
335.25784	63.5
336.26147	2.0
487.34308	8.4
505.35211	38.5
523.35992	5.0
702.28003	2.4
702.45709	10.0
703.47443	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	703.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73991	0.3
68.94913	0.3
98.23466	0.6
145.58276	0.3
185.04282	0.7
207.64912	0.3
242.05928	0.3
259.08017	0.7
317.52737	0.3
347.09689	1.5
421.12991	0.4
541.33533	22.0
542.33911	1.3
576.78601	0.5
679.40588	0.3
703.38751	100.0
704.38818	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	703.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09664	1.1
54.54633	1.1
75.58613	1.0
75.84158	1.1
90.94984	1.2
102.09097	1.0
112.43133	1.1
203.05296	1.7
300.45218	1.1
347.09399	1.4
365.10629	3.6
421.13251	2.4
541.33411	19.1
703.38727	100.0
704.39050	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	705.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79954	0.5
65.07314	0.5
65.95539	0.6
67.05440	1.1
69.03373	0.6
70.06505	2.4
70.06861	1.0
72.08084	1.0
77.00620	0.5
81.06998	0.7
84.08101	0.7
85.02818	0.7
86.09624	1.7
92.22902	0.6
95.08562	0.8
117.06935	0.6
119.08450	0.5
144.21159	0.6
145.10054	0.6
145.12532	0.6
147.04398	0.7
165.09018	1.7
166.09377	0.6
303.59158	0.5
311.16470	0.5
337.23770	0.6
363.25046	0.9
381.26126	7.9
483.55298	0.7
525.30548	2.8
543.31409	97.6
544.31763	5.4
705.36682	100.0
706.36938	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	707.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10046	0.3
60.81844	0.2
61.58669	0.2
70.06599	0.3
70.26136	0.4
70.26478	0.5
85.02930	0.7
97.08576	0.2
111.05497	0.3
134.21078	0.2
151.47041	0.2
163.03873	0.3
182.44948	0.3
185.04216	15.5
186.04582	0.4
203.03174	3.6
221.02841	0.3
257.08044	0.3
365.08432	100.0
366.08783	4.7
367.09033	0.7
383.07755	0.6
545.12750	1.8
707.17328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35473	0.3
69.36332	1.7
69.74338	0.4
75.12345	0.3
82.99849	0.9
85.01846	0.3
89.00881	0.4
94.99868	0.5
96.73572	0.4
100.84719	0.4
101.00864	5.0
113.00875	1.0
119.01917	8.9
122.01361	1.6
122.97157	0.4
127.02384	1.1
131.01913	4.4
131.51958	0.4
137.01836	1.3
137.02905	0.9
139.02394	0.8
143.01888	16.9
143.51955	0.5
145.03465	5.7
147.01413	0.4
149.01884	0.7
149.03011	0.6
152.02390	1.0
155.01884	10.5
157.03470	3.6
158.02405	0.4
161.02957	13.7
162.02998	0.5
163.04535	0.4
167.01881	7.9
169.03450	2.1
171.05075	2.5
173.02957	14.8
173.53040	0.6
174.03017	0.6
175.04541	1.0
179.01814	2.6
185.02916	31.3
185.04210	2.9
186.03061	1.6
187.04515	3.8
196.04408	0.4
197.02954	11.0
198.03186	0.6
199.04539	0.4
203.03929	6.5
203.05289	9.0
204.04132	0.6
208.04477	0.6
209.02916	1.3
215.03989	8.3
221.04933	0.7
224.04495	1.0
227.03996	8.0
239.04132	0.7
245.05054	100.0
246.05307	4.8
257.05038	4.8
263.06110	12.3
264.06219	0.5
275.06088	9.9
276.06247	0.5
284.06586	1.7
293.07208	3.1
305.07150	11.2
306.07492	0.5
317.07120	0.4
335.08252	3.1
347.08347	1.0
347.73212	0.5
365.09805	53.3
365.59308	1.0
365.94788	0.7
366.09793	2.1
383.10254	1.5
384.10809	0.4
406.11758	0.4
407.10254	0.7
425.11380	40.9
426.11615	2.3
437.11542	2.4
455.12326	3.0
485.13394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15472	0.3
67.44468	0.3
70.15623	0.3
72.90671	0.3
73.23878	0.2
80.21010	0.3
82.99441	0.3
82.99884	1.0
94.99890	0.5
97.02893	0.6
101.00867	4.6
113.00870	1.0
117.12623	0.3
119.01920	8.6
120.01975	0.3
122.01350	1.7
127.02418	1.5
128.01379	0.5
129.00423	0.4
131.01903	4.3
133.03511	0.4
137.01909	0.9
137.02972	0.8
139.02304	0.4
143.01889	13.9
143.51932	0.5
144.01997	0.3
145.03462	5.9
147.01436	1.0
149.01921	0.6
152.02423	0.9
152.52463	0.4
155.01880	9.1
157.03467	3.4
158.02422	0.5
161.02951	14.7
163.04556	0.7
164.02393	0.4
167.01880	7.2
169.03459	2.7
171.05049	2.0
173.02959	15.7
173.53003	0.6
174.03055	0.5
175.04507	0.7
179.01828	3.3
181.03403	0.4
181.48334	0.3
182.03528	0.3
184.04575	0.3
185.02931	31.6
185.04149	1.9
186.03082	1.2
187.04533	3.6
189.06166	0.3
191.01927	0.3
191.03972	0.5
194.03484	0.4
197.02942	12.7
199.04471	0.6
203.03970	7.3
203.05338	4.4
203.54163	0.5
204.04079	0.3
208.04457	0.5
209.02995	1.2
215.01941	0.4
215.04008	7.4
221.05121	0.9
224.04527	0.5
227.04012	7.6
228.04120	0.5
233.04974	0.6
239.04057	0.9
245.05054	100.0
246.05235	4.2
257.05081	5.2
263.06116	12.5
263.08929	0.7
264.06140	0.7
269.05157	0.4
275.06082	11.7
276.06183	0.6
284.06564	2.2
284.56720	0.5
286.07620	0.5
287.06131	0.4
293.07141	3.3
305.07141	11.7
305.10651	0.6
306.07239	0.4
335.08066	3.2
336.08438	0.4
347.08115	1.2
365.09631	49.4
365.59262	0.6
366.09512	2.0
383.10361	1.9
407.10056	0.6
425.11377	37.3
426.11548	2.0
437.11453	2.5
455.12448	3.5
485.13556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86842	0.2
70.01393	0.2
70.06587	0.3
70.65902	0.4
71.08015	0.2
74.48285	0.2
100.19733	0.3
150.88268	0.3
151.95255	0.2
185.04248	1.0
195.30122	0.2
202.06004	0.9
261.48663	0.2
335.48209	0.3
365.12054	100.0
366.12439	3.4
475.07687	0.3
543.13788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
63.89486	0.4
67.05504	0.9
69.50845	0.4
69.53357	1.5
79.05447	0.4
87.04478	0.8
89.40743	0.4
91.05479	0.4
93.07055	0.6
100.77236	0.4
140.94910	0.4
153.03693	0.4
212.55237	0.4
364.75912	0.5
531.29358	0.5
535.26837	0.5
707.37622	100.0
708.37915	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	707.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21914	0.5
60.29102	0.5
66.11337	0.5
67.05521	0.8
69.53419	1.4
69.53806	1.2
81.07052	0.6
85.02900	0.9
87.04479	1.5
92.41817	0.5
95.08626	0.5
99.82500	0.5
103.53807	0.5
109.65267	0.5
109.76385	0.5
138.89943	0.5
141.59309	0.6
163.53391	0.5
175.11163	0.5
187.58389	0.5
249.53546	0.6
410.36496	0.5
512.71808	0.6
672.41833	0.9
707.37622	100.0
708.37933	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05516	0.9
57.03436	1.1
61.02926	3.8
67.05504	6.9
68.52161	0.3
69.03421	2.5
69.07069	1.0
69.68876	0.6
69.69267	1.0
71.01345	0.3
71.04987	0.5
71.12688	0.3
73.02916	2.9
79.05488	2.5
81.03436	1.0
81.07053	2.3
83.08635	0.4
85.02908	4.1
85.06560	0.3
91.03963	2.6
91.05482	2.1
93.07046	3.5
95.04986	0.5
95.08590	1.3
97.02904	3.2
99.04451	0.5
101.02395	1.3
103.03941	0.4
105.07030	1.3
105.80059	0.3
107.08564	1.3
109.02862	0.4
109.10164	5.5
111.08099	0.3
111.54544	0.3
117.07031	0.5
117.81026	0.3
119.08598	1.1
121.10152	0.7
127.03931	1.3
129.05521	0.3
130.04352	0.2
131.08569	0.4
133.10187	0.8
135.11678	0.4
145.10147	0.5
147.11740	0.8
155.10719	0.6
161.13388	0.4
171.11661	0.4
173.11691	1.8
185.04228	1.2
188.68147	0.3
195.09978	1.2
229.14429	0.9
243.08400	2.8
251.12550	0.3
257.13943	0.3
259.20517	0.4
301.08868	1.5
315.10672	0.8
317.20880	0.5
340.74814	0.3
373.10883	0.7
385.18301	0.4
387.12469	0.3
397.18671	0.5
413.17831	9.8
413.23318	0.5
465.21136	0.5
467.84424	0.3
485.19855	1.5
535.28723	5.0
545.35120	0.4
637.32227	0.5
707.39740	100.0
708.40051	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	707.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01885	0.3
55.05511	0.7
56.64784	0.3
57.03445	1.2
61.02927	3.7
67.05504	6.6
69.03419	2.4
69.07070	1.0
71.01357	0.6
71.04995	0.6
73.02916	2.8
79.05486	2.2
81.03429	1.0
81.07047	3.0
83.08672	0.4
85.02907	4.2
85.52866	0.3
87.04508	0.4
91.03957	2.5
91.05478	1.7
93.07043	3.1
95.04982	0.6
95.08597	1.5
97.02885	2.9
99.04488	0.5
101.02388	1.2
103.03958	0.5
105.07021	2.1
107.08598	1.8
109.06596	0.3
109.10162	4.7
110.18012	0.3
112.07591	0.4
116.75231	0.4
117.07037	0.5
119.08602	1.8
121.10152	1.5
127.03943	1.0
131.08598	0.7
133.10162	1.2
135.11671	0.3
137.09651	0.5
143.08569	0.4
145.10156	0.5
147.11708	0.5
159.11705	0.4
161.13327	0.6
173.11752	1.8
173.13158	0.4
185.04288	1.1
195.09920	0.6
203.05385	0.4
229.14340	0.7
243.08420	2.9
256.58820	0.3
259.20667	0.6
301.09085	1.2
315.10675	0.6
333.17224	0.6
339.19083	1.0
383.16803	0.4
385.18127	0.5
391.24487	0.7
397.18417	0.5
413.12610	0.3
413.17819	8.4
414.18231	0.4
429.17447	0.5
465.20923	0.8
485.19888	1.6
499.21747	0.3
513.23047	0.5
517.06030	0.4
527.24042	0.4
535.28784	6.2
555.27722	0.4
569.28961	0.4
637.32227	0.4
649.37573	0.9
707.39740	100.0
708.39984	7.2
708.51550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05503	1.7
56.72424	0.4
57.03431	1.6
61.02930	5.7
67.05505	5.0
69.03432	3.8
69.07070	1.8
71.04978	0.9
71.19408	0.4
71.45504	0.8
73.02911	4.2
79.05482	3.4
81.03418	1.5
81.07058	4.7
83.04978	0.8
83.08619	1.1
85.02902	4.4
87.04501	0.7
91.03987	2.7
91.05487	2.6
93.07056	4.5
95.04984	0.7
95.08614	3.2
97.02884	4.3
97.10146	2.2
99.04466	1.0
101.02368	1.2
105.07035	1.7
107.08587	2.3
109.02880	1.2
109.10155	1.9
117.07024	0.6
119.08598	0.6
121.10158	2.0
123.11741	0.6
125.09607	2.2
127.03935	1.4
128.52167	0.5
131.08643	0.9
133.10123	1.2
135.11743	0.6
145.04980	0.6
145.10162	0.9
149.13248	0.8
161.13348	0.5
170.66679	0.4
185.04216	1.2
189.11296	1.4
211.09415	1.6
235.82936	0.5
243.08482	1.4
335.25867	0.7
344.91522	0.5
382.18277	0.5
429.17267	4.0
479.62308	0.5
487.45917	0.5
519.29346	6.9
617.56030	0.5
707.39722	100.0
708.40308	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	707.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.11287	0.4
55.01876	0.4
55.05505	1.9
57.03442	2.0
61.02927	4.8
67.05502	4.4
69.03429	2.8
69.07075	1.6
70.06614	0.4
71.01349	0.5
71.04977	0.6
71.47022	0.4
73.02921	4.3
79.05479	3.0
81.03429	1.1
81.07051	4.4
83.04979	0.6
83.08620	1.3
85.02905	4.4
86.62149	0.4
91.03956	3.1
91.05500	1.8
93.07045	3.0
95.05000	0.5
95.08607	3.3
97.02888	4.3
97.10199	1.2
99.04444	1.0
101.02399	1.7
105.07068	1.2
107.08564	2.2
109.02901	0.9
109.10159	0.8
117.07031	0.8
119.08565	1.2
121.09371	0.4
121.10160	1.7
125.09640	1.3
127.03934	1.5
131.08560	0.6
133.10149	1.0
135.11703	1.2
137.13287	0.4
145.04959	0.6
145.10144	0.8
147.11725	0.8
172.84763	0.4
185.04218	0.8
188.01646	0.4
189.11180	1.0
211.09460	1.5
229.09229	0.6
243.08459	1.6
335.25861	0.8
385.53961	0.4
392.03116	0.4
413.16095	0.5
429.17441	4.2
519.29272	7.2
543.20605	0.5
707.39734	100.0
708.40027	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	708.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55354	0.2
53.03939	0.2
55.01863	1.0
55.05265	0.3
55.05512	3.4
57.03449	1.7
57.07055	0.8
61.02929	4.2
65.03934	0.3
67.05511	7.0
69.03442	1.2
69.07069	4.8
69.62825	0.6
69.63214	0.5
70.25436	0.2
70.69164	0.2
71.04988	0.7
73.02905	1.2
73.06558	0.2
79.05038	0.4
79.05495	6.5
81.03415	0.7
81.07059	9.5
83.04579	0.3
83.04986	2.6
83.08622	1.7
85.02908	4.4
85.06545	0.6
91.03963	3.0
91.04935	0.4
91.05479	6.1
93.07046	9.9
95.04970	2.7
95.08611	6.6
97.02908	1.8
97.06535	2.0
97.10146	0.9
99.08097	0.3
105.04522	0.3
105.06348	0.5
105.07039	9.9
107.04961	2.8
107.08594	6.4
109.02839	0.3
109.05756	0.3
109.06516	4.4
109.10158	3.5
111.04480	0.3
111.08081	1.0
111.99780	0.2
117.07024	2.9
119.08588	6.6
121.05721	0.4
121.06516	4.8
121.10146	4.3
123.08060	2.3
123.11674	1.2
125.09636	0.6
127.03889	1.3
129.07027	1.1
131.08574	7.7
133.06491	1.8
133.10139	7.9
133.11136	0.6
135.08061	2.6
135.11700	2.6
137.09598	0.9
137.13190	0.3
139.07545	0.3
141.06973	0.5
142.07784	0.2
143.08583	1.4
145.04909	1.3
145.06473	0.8
145.10123	6.5
147.08046	1.8
147.11691	6.5
149.09628	3.0
149.13304	1.5
151.11171	2.6
155.08513	0.7
155.76506	0.2
157.10156	2.3
159.08067	1.2
159.11700	3.9
161.09633	1.5
161.13246	1.6
163.06003	1.9
163.11179	3.7
163.14813	0.3
165.12747	0.8
169.10136	0.8
171.11732	1.4
173.09618	1.3
173.13248	3.0
175.11195	1.6
175.14796	0.5
177.12756	1.4
179.14345	0.4
183.11682	1.4
185.13220	0.6
187.11241	1.4
187.14812	0.7
189.12741	0.7
191.14342	1.9
197.13271	0.9
199.14874	0.8
201.12772	1.7
205.19591	0.3
207.13789	2.2
211.14949	0.4
213.16386	0.5
215.14297	0.9
215.18021	1.0
217.15926	0.3
219.13797	2.1
219.17328	0.3
229.19528	1.5
231.17415	0.4
233.15291	0.4
233.18999	0.6
239.17958	1.6
247.20631	1.9
257.18997	6.5
275.20068	40.3
276.20435	1.8
293.21069	2.7
349.23737	100.0
350.24091	4.9
367.24796	33.4
368.25262	1.6
511.28879	0.7
708.38403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99564	1.4
53.03941	1.3
55.01891	2.0
55.05515	6.5
57.03433	5.0
57.07085	2.1
61.02928	24.9
67.05506	35.5
69.03416	2.5
69.07063	7.6
69.61583	6.0
71.05006	2.0
73.02916	7.2
77.03897	1.9
79.05492	19.0
81.03428	3.7
81.07063	39.4
83.08620	5.1
85.02901	34.6
85.06530	2.2
91.03956	22.9
91.05482	9.4
93.07043	31.6
95.08607	38.4
97.02901	18.5
97.06552	2.2
97.10178	2.4
99.04478	2.6
99.08105	2.4
105.07008	10.8
107.08586	19.1
109.02834	2.2
109.06467	1.5
109.10151	23.8
115.03918	1.5
117.07040	4.9
119.08577	8.8
121.10155	21.4
123.11721	13.0
127.03909	9.7
131.08548	9.8
132.74721	1.3
133.10097	9.0
135.11667	16.9
135.12463	1.3
137.13261	5.7
139.11183	2.0
142.81099	1.7
145.04955	14.4
145.10078	9.8
147.11655	8.1
149.13231	14.4
151.11160	2.0
151.14775	2.4
159.11714	10.3
161.13280	6.7
163.04814	2.1
163.06029	21.1
163.14812	12.1
165.12781	2.3
173.13266	9.3
175.14857	3.4
177.16422	4.4
179.14305	3.2
187.14882	6.8
190.44637	1.6
191.14388	1.9
194.10274	2.1
201.16365	1.7
219.17438	1.5
233.22670	4.3
243.21072	32.3
261.22134	100.0
262.22601	3.4
279.23264	5.8
297.20398	1.4
335.25772	31.3
353.26849	65.0
354.26993	1.8
372.11505	2.1
708.40741	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.79464	0.3
55.01869	0.8
55.05512	6.4
57.03435	3.9
57.07072	1.9
57.92376	0.3
59.04987	0.3
59.24535	0.3
59.90133	0.3
61.02927	12.1
65.03938	0.6
67.05504	19.1
68.04845	0.3
69.03420	2.9
69.07066	7.1
69.64975	0.3
69.65368	0.3
71.04993	1.5
71.08624	0.6
73.02542	0.4
73.02917	5.1
73.06548	0.3
75.04495	0.7
77.03927	0.8
79.05489	25.8
81.03411	1.5
81.07056	20.9
81.07417	0.4
81.07550	0.6
83.04990	1.7
83.08617	4.1
85.02905	13.9
85.06555	1.5
87.04465	0.5
91.03960	11.4
91.05479	21.5
93.07041	36.5
95.04957	3.5
95.08602	15.1
95.09214	0.7
97.02887	7.2
97.06532	1.8
97.10152	1.5
99.04443	0.9
99.08094	1.3
103.03922	0.6
103.05418	0.4
105.04510	1.3
105.07027	24.8
107.04944	1.1
107.08591	19.2
108.08888	0.4
109.02889	0.7
109.06519	1.3
109.10150	5.8
111.08083	1.1
112.07601	1.2
113.05990	0.9
113.09643	0.7
115.03931	0.7
115.05427	0.6
117.07018	7.4
119.08580	23.0
121.06495	0.9
121.10143	18.1
123.08052	1.1
123.11695	1.7
125.09654	1.0
127.03908	4.4
128.06192	1.0
129.06984	4.6
131.07069	0.4
131.08560	9.8
133.10127	20.5
134.10431	0.6
135.08066	1.4
135.11688	16.3
137.09642	1.0
141.07091	0.3
143.08569	5.2
144.09322	0.5
145.04967	4.9
145.06145	0.5
145.10120	9.7
147.08020	0.6
147.11676	18.8
149.09604	1.6
149.13261	9.3
149.14438	0.5
151.11174	0.7
155.08546	0.6
156.09258	0.4
157.10133	4.7
159.11685	9.4
160.12225	0.3
161.09634	0.8
161.13252	12.6
163.06012	7.9
163.07304	0.6
163.11183	1.9
163.14833	3.5
165.12816	0.6
167.08629	0.4
167.10590	0.3
169.10062	0.8
171.11674	6.6
173.09641	0.4
173.13263	5.7
175.11156	1.3
175.14815	6.6
177.12755	1.5
179.14238	0.4
183.11684	0.9
185.13251	6.8
187.11145	0.4
187.14841	1.3
189.12709	1.5
189.16264	0.5
191.14325	0.5
193.10017	0.4
193.15863	0.7
195.11786	0.6
195.13809	0.3
197.13277	0.9
199.09613	0.6
199.14796	3.2
201.16371	0.5
203.14352	1.3
209.13289	0.5
213.16341	1.8
215.18034	0.4
217.15956	0.7
217.19554	1.1
221.13321	0.5
221.15379	0.7
231.17426	0.8
231.21080	3.6
241.17041	0.7
241.19513	14.4
242.19933	0.6
259.20575	38.4
260.20911	1.2
261.22147	0.7
271.20474	0.8
275.20111	0.4
277.21643	5.1
280.25812	0.4
283.20578	0.8
301.21692	0.7
313.21744	0.8
325.21487	0.9
333.24246	8.5
334.24319	0.5
349.24075	0.8
351.25281	100.0
352.25571	3.7
363.25372	2.2
367.22614	1.4
375.25204	2.4
385.23633	1.0
387.25320	1.5
393.26242	0.6
399.25217	0.5
403.24591	0.8
405.26208	0.5
417.26453	1.5
423.60657	0.3
429.26413	1.0
441.26291	4.0
442.26797	0.4
459.27365	4.0
477.28299	3.9
495.29568	8.2
657.34546	0.9
710.40436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.8
61.02934	16.8
65.21364	2.1
66.90601	1.8
67.05508	22.4
69.03455	3.6
69.07071	9.1
69.95494	4.2
73.02926	6.7
79.05492	30.5
79.29128	2.1
81.03423	3.6
81.07050	22.7
83.08631	4.1
85.02912	19.5
91.03973	15.3
91.05480	29.5
93.07047	37.3
95.04970	3.1
95.08616	13.6
97.02883	11.2
105.07031	27.3
107.08594	17.9
109.10150	8.1
117.07021	7.5
119.08571	23.2
121.10146	17.4
127.03916	6.5
128.06210	2.4
129.07027	4.9
131.08565	11.4
133.10123	26.1
135.08127	2.5
135.11691	15.4
143.08569	6.5
145.04936	5.6
145.10110	10.0
147.11694	25.5
149.13283	6.9
157.10141	4.7
159.11723	9.0
161.13271	13.6
163.06032	9.0
171.11720	5.6
173.13330	7.0
175.14687	4.8
177.12836	1.9
181.47150	2.0
185.13237	5.5
199.14810	5.5
213.16382	3.3
231.21034	3.7
241.19534	17.3
259.20575	48.1
351.25275	100.0
352.25568	3.9
441.26215	2.8
459.27634	3.1
477.28595	4.2
495.29495	3.8
586.80127	2.2
710.39862	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	710.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
53.50553	2.5
55.05494	6.9
55.13898	2.7
57.03437	3.7
57.07071	6.3
58.38377	3.1
61.02926	21.5
67.05163	3.3
67.05505	42.5
69.07059	10.8
71.08613	4.7
73.02908	7.4
79.01427	2.5
79.05476	9.7
81.06620	4.5
81.07056	51.2
83.08636	14.8
85.02904	29.2
85.10156	3.7
91.03963	21.2
91.05477	9.0
93.07045	16.0
95.08602	47.4
97.02878	20.9
97.06536	6.6
97.10162	7.8
98.23486	7.2
99.08119	3.1
105.07078	3.4
107.08582	8.6
109.10135	20.5
119.08588	8.4
121.10142	10.9
123.11721	9.8
127.03920	10.6
131.40030	2.8
133.10110	8.5
135.11682	9.2
137.13269	3.6
141.12724	2.9
145.04919	15.9
147.11589	6.4
149.13269	9.2
151.14809	4.6
161.13254	9.2
163.06029	21.7
163.14780	7.8
165.16306	6.3
175.14780	6.4
179.17967	6.3
186.37923	3.0
203.17946	3.6
245.22650	57.6
263.23703	100.0
264.23996	4.0
306.08514	3.3
337.27362	64.6
355.28357	22.8
411.93237	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01872	0.4
55.05514	6.9
56.05040	4.2
56.05845	0.4
57.07069	1.9
58.02953	1.6
58.97419	0.4
60.04541	1.1
65.03944	0.6
65.56581	0.4
66.92500	0.5
67.05508	9.8
68.05026	1.6
69.07072	7.2
69.77928	1.5
71.08628	0.9
72.04512	1.1
78.19100	0.4
79.05493	6.7
80.05008	1.0
81.03430	0.5
81.07056	9.4
82.06591	4.5
83.04996	0.8
83.08617	4.0
84.08140	0.9
85.10155	0.7
86.06055	0.7
90.07111	0.4
91.05495	4.7
93.07048	5.4
94.06582	1.7
95.04970	1.7
95.08620	9.6
96.08133	1.5
97.06517	0.7
97.10156	1.0
98.06068	0.8
100.07626	2.0
105.07017	2.9
107.08599	2.9
108.08075	0.5
109.06521	0.5
109.10152	2.9
111.11771	0.7
112.07624	0.9
114.09147	0.5
119.08588	6.2
121.10149	3.1
122.09700	0.9
123.11687	0.9
133.10158	1.3
135.08069	0.4
135.11720	1.3
147.11661	1.0
154.12277	0.6
219.21115	0.6
245.22691	1.4
250.25305	4.8
262.25342	2.7
263.23718	1.4
265.36200	0.5
280.26358	100.0
281.26721	4.6
298.27423	18.9
415.20984	0.6
562.61182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59779	0.2
98.23521	0.4
104.63660	0.2
107.36746	0.2
111.66804	0.2
117.65010	0.2
125.69659	0.2
133.26663	0.2
163.48135	0.2
185.04268	0.3
203.05302	0.5
245.06281	0.2
257.06207	0.2
259.07980	0.5
347.09473	1.9
389.22931	1.7
399.94427	0.2
400.40189	0.2
421.13470	0.8
493.15527	0.6
499.10901	0.2
551.28308	16.3
552.29071	0.9
713.33521	100.0
714.33899	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	713.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25520	0.3
67.05519	0.4
68.73160	0.4
70.06580	0.7
70.07911	1.0
73.05830	0.3
81.07079	0.4
91.05452	0.4
92.66558	0.4
93.07027	0.4
95.08612	0.3
185.04233	0.8
203.05315	1.3
259.07907	2.0
315.19363	0.9
347.09537	1.6
365.10568	3.3
389.22961	3.3
421.13153	2.6
438.31821	0.4
493.14917	0.5
516.31366	0.4
551.28265	22.0
552.28729	1.1
713.33478	100.0
714.33685	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	713.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.9
57.05799	0.6
58.06595	0.6
66.36956	0.3
69.07068	8.6
70.00755	0.6
70.06593	80.9
71.06926	0.6
72.08160	0.4
73.37421	0.3
74.06096	2.9
79.62109	0.3
84.04504	1.7
84.08144	22.2
85.06560	0.3
86.09708	100.0
87.10053	1.1
98.22758	0.4
101.07146	2.0
101.10770	0.6
112.03294	0.3
112.03935	1.5
112.11273	0.6
115.08692	6.4
116.07131	0.4
126.09182	2.1
127.03976	0.4
127.08688	0.5
129.06619	0.6
129.10239	14.9
130.04990	0.4
130.08640	15.7
136.07564	0.7
141.10266	0.4
141.13831	0.6
142.12260	1.1
143.08165	5.0
143.11789	1.2
147.11290	19.7
153.10239	1.1
155.08136	2.9
157.13295	0.4
167.11775	0.5
169.09792	1.0
169.13354	1.5
171.11288	15.5
173.13240	0.5
181.09718	24.5
183.14995	1.2
185.12944	0.4
187.14420	8.9
187.16040	0.4
197.12846	2.4
197.16522	0.3
199.10788	15.7
211.14413	2.5
215.13925	0.9
238.15550	0.7
240.13483	0.9
240.17085	0.6
242.18665	1.5
247.89568	0.3
252.13486	0.4
256.16562	1.8
260.19711	7.1
260.22354	0.5
266.18634	0.5
268.16742	0.6
284.19763	1.1
294.18185	4.6
312.19180	2.5
325.22601	0.6
330.20349	0.7
341.18576	0.6
343.23587	0.4
353.22046	1.0
361.24521	2.0
369.24875	0.5
371.22971	1.5
436.25629	2.4
440.28528	2.9
441.28683	0.5
454.26651	1.9
458.29752	26.8
459.30161	1.1
539.36084	0.5
549.33868	2.1
567.35046	2.3
571.38293	1.2
695.44690	1.3
713.45551	97.2
714.45789	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	714.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.4
57.03442	15.4
61.02933	4.1
67.05158	4.3
67.05508	57.6
69.03384	3.8
69.07074	26.2
70.06593	3.2
71.04996	5.4
79.05495	47.5
81.07058	90.8
83.04978	3.3
83.08624	11.9
86.09709	17.9
91.05476	30.5
93.07046	48.4
95.08611	55.1
97.06535	3.6
97.10176	6.2
98.09703	3.7
105.07032	34.1
107.08579	27.8
109.06504	3.6
109.10186	19.7
117.07018	8.1
119.08590	34.7
121.10139	23.4
123.11732	8.5
129.07062	3.3
131.08582	18.8
133.10127	18.6
135.11726	17.1
137.13306	5.5
143.08508	6.0
145.10115	22.8
147.11682	22.0
149.13277	8.2
157.10136	4.3
159.11703	10.5
161.13263	8.4
165.12758	7.0
169.13394	6.0
171.11768	6.7
173.13293	9.9
175.14748	4.9
185.13310	4.2
187.14783	6.7
197.13043	3.9
213.16437	2.9
239.16357	21.0
241.17961	6.4
259.20624	9.0
261.22070	7.0
277.21652	4.0
287.23801	4.9
297.95740	3.0
313.25339	3.2
315.23633	3.9
335.25778	44.6
407.33118	4.8
425.34067	15.4
443.35074	8.6
481.47253	3.2
489.35379	3.9
499.37735	31.5
507.95569	3.4
517.38861	100.0
518.39264	6.6
542.81580	3.0
584.37238	9.9
599.50323	7.2
714.40778	15.4
715.41821	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	0.7
55.05291	0.6
55.05510	6.6
56.05050	3.6
57.07072	2.8
58.06602	0.6
60.04515	2.0
62.99006	0.5
65.03930	0.8
67.04236	0.6
67.05168	0.6
67.05508	11.3
67.34464	0.5
68.05026	0.8
69.03423	1.1
69.07069	8.2
70.06578	1.7
70.72796	0.8
71.08630	1.4
76.64149	0.5
78.99979	0.5
79.05490	10.8
80.05026	3.9
80.05755	0.6
81.03421	0.8
81.05790	1.7
81.07053	10.7
82.06583	8.1
83.08620	5.0
85.02890	1.6
86.06083	0.7
91.05479	10.5
93.07040	10.5
94.05989	1.0
94.06572	18.0
95.04958	1.7
95.07358	8.9
95.08610	8.7
96.08125	5.1
97.02940	1.3
97.06497	0.8
97.10159	2.1
99.28777	0.6
99.72308	0.7
105.04486	0.8
105.07024	5.5
107.08585	4.8
108.08106	4.1
109.10155	3.5
111.11749	0.8
114.60415	0.6
119.08587	5.0
120.08057	0.9
121.10160	4.5
122.09654	2.8
124.11186	0.7
133.10123	3.1
135.10492	0.7
135.11688	2.1
136.11252	1.0
147.11673	1.5
149.13286	1.0
161.13275	0.6
162.38206	0.5
173.47273	0.5
233.22690	3.4
234.22308	0.6
245.22626	5.8
250.25253	7.2
254.24809	1.6
260.23685	0.6
262.25296	100.0
263.25674	2.1
272.25818	6.5
280.26334	7.2
504.47864	9.1
504.89624	0.6
505.47305	0.7
516.47760	45.8
517.47919	2.5
518.49384	8.5
534.48785	30.5
534.55615	0.6
534.56995	1.1
535.48871	1.2
675.23895	0.7
696.54083	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	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49842	1.1
55.05518	8.0
56.05039	3.9
57.07070	3.2
58.59379	0.9
59.69802	0.9
60.04517	1.9
67.05163	1.8
67.05508	23.5
69.03420	1.1
69.07070	7.2
70.06612	1.6
71.08638	2.4
79.05492	12.4
80.05042	1.4
81.06623	2.0
81.07062	23.0
82.06570	6.2
83.08630	8.3
89.55670	1.3
91.05489	9.9
93.07046	10.6
94.06567	13.8
95.04982	2.0
95.07345	6.8
95.08610	16.1
96.08141	5.5
97.10171	3.0
98.98460	2.0
105.07036	5.8
107.08590	6.6
108.08144	1.6
109.10163	6.4
111.11708	1.9
112.81245	1.1
119.08585	8.2
121.08951	1.1
121.10120	5.9
121.24657	1.2
122.09666	1.9
123.11736	2.3
133.10155	4.2
135.10564	1.2
135.11688	5.1
137.06438	1.1
147.11679	2.6
149.13219	1.9
155.01073	2.1
163.14769	1.5
175.14835	1.4
189.43802	1.2
208.09404	1.2
233.22574	3.3
245.22589	3.4
250.25365	6.0
262.25311	100.0
263.25812	1.8
272.25931	3.8
280.26379	7.8
337.27258	1.4
359.93307	1.2
377.58685	1.2
385.88074	1.3
499.43826	1.2
504.47546	4.6
516.47748	27.4
517.48120	1.5
518.49127	3.2
534.48798	18.9
535.49127	1.8
599.50299	26.8
600.50317	2.7
696.53717	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	715.3302
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
54.02370	1.2
57.59331	1.2
61.97146	1.3
68.34604	1.1
71.44585	1.2
71.59501	1.1
74.77081	1.2
84.45564	1.4
98.97597	3.0
127.56538	1.4
184.79192	1.2
236.72517	1.3
321.04971	2.0
324.06055	1.3
455.10995	2.4
511.35419	1.6
528.03943	1.5
663.94110	1.4
682.80548	1.4
715.32996	100.0
716.33795	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	715.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38752	1.6
68.49422	1.7
68.59528	1.7
69.44810	7.4
72.27438	2.0
94.25313	1.8
321.05139	2.3
715.33014	100.0
716.33319	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49800	0.1
68.89898	0.1
69.68623	0.3
69.68971	0.3
74.97234	0.1
79.05489	0.2
82.13828	0.1
83.01120	0.4
84.01887	0.5
87.27517	0.1
88.40530	0.1
93.74888	0.1
95.01093	0.5
96.01868	0.3
97.02656	0.3
97.88496	0.1
105.07035	0.2
125.02121	0.3
139.03596	0.2
141.05212	0.2
156.03966	0.4
157.04744	0.6
167.03149	0.2
169.04779	0.3
184.03392	0.3
185.04198	1.9
201.03719	1.9
203.05266	2.7
212.10416	0.1
241.06871	0.5
245.06328	0.2
257.06387	0.8
259.07907	2.0
264.18497	0.2
275.07465	0.6
301.08929	0.4
305.08417	0.5
317.08621	0.7
317.19998	0.2
319.10025	1.5
329.08554	0.5
331.09979	1.9
345.11658	0.4
347.09473	5.1
359.13235	0.3
361.68069	0.2
363.08945	1.8
363.12790	0.2
365.10535	4.7
373.14822	0.3
391.24619	0.7
401.17966	0.6
415.19550	0.5
421.13153	2.6
431.18942	0.1
437.12717	0.6
441.20837	0.2
455.22675	0.5
463.14404	0.2
483.22009	1.6
493.15320	4.2
507.16684	1.0
521.18323	1.4
535.20093	1.1
535.28546	0.4
549.21515	0.3
553.29797	12.0
554.30225	0.5
563.22858	0.7
577.24512	1.8
603.26300	0.5
617.28223	0.7
629.28204	0.2
645.27081	1.4
715.35052	100.0
716.35358	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23586	0.8
51.71642	0.7
55.39850	0.8
65.50989	0.7
67.05483	1.0
79.90093	0.7
84.92676	0.8
91.22401	0.7
93.07036	0.8
96.36049	0.7
101.15688	0.9
119.79397	0.7
133.27063	0.7
153.20189	0.8
163.84795	0.9
185.04152	1.0
261.43085	0.8
331.10306	1.3
347.09561	2.7
363.08960	1.7
437.12973	1.1
493.15283	2.6
507.17123	0.9
535.19257	1.2
549.21027	1.1
553.29767	13.2
715.35089	100.0
716.35449	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	717.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23661	0.3
52.30753	0.4
53.00723	0.3
55.05509	0.6
57.03436	0.5
67.05503	1.8
69.07078	0.8
70.04260	1.0
71.04961	0.4
73.81871	0.3
76.64606	0.3
79.05491	1.0
79.24455	0.3
81.07050	1.2
83.08613	0.3
83.12475	0.3
83.82706	0.3
91.05469	0.9
93.07045	1.5
95.08616	1.0
98.97607	0.8
105.07014	0.7
107.08602	0.5
108.97407	0.3
109.10173	0.9
110.97537	0.5
119.08608	0.6
125.09645	0.4
131.00154	0.4
131.05775	0.4
133.10146	0.4
134.62885	0.4
149.01135	0.4
158.99649	0.4
167.20709	0.3
170.99596	0.5
229.14325	0.6
289.52496	0.3
293.05536	0.9
311.06577	0.4
321.04883	0.9
333.20300	1.3
351.21387	1.8
389.22772	1.0
407.23978	1.4
422.86975	0.4
455.10876	0.5
568.51331	0.4
717.34033	100.0
717.45367	36.1
718.34381	6.1
718.45532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30281	0.2
70.07132	0.2
70.07455	0.4
83.97938	0.2
92.05779	0.2
98.97600	0.5
149.01239	0.4
158.99609	0.2
170.99690	0.2
293.05331	0.3
321.05072	0.7
657.23724	0.2
697.34741	0.2
717.34491	100.0
718.34808	5.5
718.47290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42320	0.4
52.65781	0.5
55.01865	0.5
55.05523	1.0
67.05503	2.9
67.35966	0.4
69.07075	1.7
74.43491	0.4
77.67948	0.4
79.05505	1.9
81.07055	4.0
83.08634	0.8
91.05484	1.5
93.07065	1.4
95.05004	0.7
95.08626	1.7
97.10171	0.6
105.07020	1.0
107.08593	1.1
109.10172	1.7
119.08628	0.6
121.10166	1.0
131.08612	0.7
133.10165	0.6
145.10204	0.6
147.11739	0.4
149.09669	0.4
151.03958	0.6
160.28827	0.6
219.13937	0.5
222.27486	0.5
333.20313	6.5
351.21448	4.4
366.51993	0.6
389.23007	3.4
398.70361	0.5
407.24213	2.6
538.23505	0.5
716.74646	0.7
717.45447	100.0
718.45813	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	718.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48152	0.4
65.03925	0.5
69.03420	0.6
69.71403	1.6
70.06577	0.7
79.05461	0.7
81.03391	0.6
85.02887	2.0
91.05489	2.4
94.04175	2.3
97.02879	0.7
98.10423	0.4
100.18045	0.4
103.05447	0.5
107.04941	0.7
109.06503	1.7
119.04935	1.8
122.03652	6.0
129.07010	0.9
131.04890	0.8
131.08582	0.5
137.05972	100.0
138.06317	1.3
141.07016	0.6
143.08568	0.4
145.06419	0.4
149.06023	1.0
151.03889	0.4
151.07550	7.0
153.06975	0.7
155.08562	1.4
157.06483	0.8
159.08032	0.8
161.05959	1.4
163.07573	2.0
169.06467	0.6
169.13156	0.4
171.08063	0.8
174.06715	0.8
175.07527	1.7
179.07040	1.3
181.06462	1.3
183.08060	0.9
187.07576	1.6
189.09065	1.0
195.08150	0.6
198.06816	0.6
199.07515	1.6
200.08275	0.6
201.09061	2.3
202.07866	0.6
211.07518	0.7
212.08426	0.5
213.09091	4.0
215.08749	0.5
215.10686	1.0
217.10179	1.1
219.08307	0.5
219.10179	1.8
225.09138	1.1
229.10155	0.6
231.08163	0.7
231.10187	1.1
243.07990	0.8
243.10223	1.8
245.09613	2.0
245.11827	0.5
246.10547	0.5
248.08464	0.7
249.09059	0.5
253.08572	0.7
257.09604	1.9
258.10410	0.5
259.09579	4.1
261.08987	0.7
261.11279	3.8
262.09857	0.5
263.10672	0.7
268.07437	0.7
269.09708	0.8
271.07581	1.0
273.09116	1.6
274.09952	0.8
275.10611	0.6
276.07813	0.6
277.08569	1.0
277.12204	1.6
279.10333	0.7
283.09711	2.1
285.09171	1.7
286.09775	0.8
287.07147	0.5
289.12302	1.6
290.09433	1.0
291.10168	2.6
291.13171	0.5
292.11023	0.4
293.11758	1.1
297.11398	0.9
298.10159	0.4
301.08603	0.6
302.09402	1.4
303.10104	1.7
305.11838	2.3
306.09058	0.7
306.12744	0.4
307.09735	0.9
308.10437	0.6
309.11310	1.2
315.10056	0.6
317.08249	0.7
317.11713	4.0
319.09933	0.9
319.13321	1.0
320.10260	0.5
321.11249	3.0
322.12067	0.9
323.12802	1.1
329.11703	2.1
331.09528	0.6
333.11166	1.2
334.12189	0.9
335.12659	2.8
337.14301	2.2
339.12173	0.6
341.14084	0.9
346.11835	0.7
347.12848	1.4
349.14304	3.2
351.12274	0.9
353.13950	2.5
355.15469	3.2
361.14392	1.8
365.14005	0.9
367.15387	34.7
368.15793	1.3
369.16956	0.8
371.15012	0.6
379.15460	7.6
385.16241	2.3
397.16449	14.4
398.16977	0.6
440.40909	0.6
459.18390	0.5
473.19684	1.6
485.19608	1.6
491.20663	6.4
492.20520	0.5
503.20590	6.0
504.20822	0.6
521.21783	7.4
559.21790	2.6
717.46790	11.5
718.46979	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01870	2.6
55.05502	2.0
56.05036	1.8
57.03439	7.7
58.86702	0.8
59.09205	1.0
61.02925	3.4
67.05501	4.3
69.03057	1.6
69.03422	14.7
69.07074	3.4
69.76168	1.6
69.76530	2.0
70.06612	2.2
71.04993	1.4
72.04533	0.9
72.08157	9.0
73.02924	2.6
79.05500	2.9
81.03421	5.8
81.07047	5.7
84.08138	1.2
85.02904	27.0
87.04474	3.4
88.51262	1.1
91.03973	1.4
91.05497	1.3
93.07043	2.3
95.04980	1.9
95.08607	4.7
95.15846	0.8
97.02884	9.6
97.06520	7.0
98.09689	29.3
99.04500	1.9
99.08089	6.1
102.09181	0.8
107.08640	1.4
109.02890	3.7
109.10157	1.8
111.08088	0.9
113.09623	2.1
115.07535	0.8
121.06506	1.3
121.10111	1.4
123.04427	31.3
124.11203	1.2
127.03879	6.9
128.86467	1.0
135.04321	1.0
135.07991	1.1
135.11678	1.4
137.06004	1.6
142.12262	26.2
145.04948	1.8
147.04477	0.9
149.05959	7.6
160.83150	0.9
161.06079	1.0
163.07539	15.6
175.07581	1.3
189.09106	0.9
194.25438	0.9
331.22882	1.5
376.28452	7.7
394.29462	17.2
437.18619	0.9
538.33875	8.0
556.34778	65.8
557.35223	3.4
718.40021	100.0
719.40692	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	721.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05501	1.0
56.31118	0.4
57.03432	1.2
61.02922	2.8
67.05508	6.3
69.03425	2.2
69.07070	1.8
69.09439	0.5
73.02921	2.8
79.05507	1.9
79.48222	0.5
81.03420	1.6
81.07068	2.3
83.08633	1.1
85.02901	3.2
91.03976	1.9
91.05484	1.2
93.07044	1.4
95.04983	0.6
95.08595	0.9
97.02911	3.2
97.10176	1.1
99.04456	0.5
101.02375	1.1
105.07051	0.8
107.08598	1.0
109.02836	0.7
109.10157	6.8
117.07015	0.7
119.08636	0.8
125.09650	1.0
127.03928	1.5
133.10197	0.6
143.73299	0.5
159.11714	0.6
173.11763	0.8
195.09952	1.2
223.13354	0.7
229.14409	0.8
238.39917	0.5
243.08481	2.6
269.05377	0.5
291.19672	0.8
331.19043	1.4
413.17838	8.9
549.26837	5.5
721.37579	100.0
722.38025	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	723.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32154	0.8
56.10096	0.9
58.32858	0.8
58.45167	1.0
71.09657	1.0
78.79567	0.8
85.84729	0.9
98.97612	4.2
114.24921	0.9
158.99609	1.5
170.99722	1.4
176.09094	0.8
182.99557	1.2
189.00734	1.2
189.85780	0.8
201.00760	3.6
219.01723	2.2
237.02921	0.9
243.01740	1.0
261.02808	5.4
270.24704	1.0
279.03928	3.0
321.04733	2.9
328.52502	0.9
381.07935	100.0
382.08148	3.0
399.08038	1.4
428.07184	0.9
441.09125	9.8
471.74008	1.0
550.48627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27401	0.3
62.70765	0.4
64.72210	0.3
67.05505	0.8
69.07064	0.4
70.18425	0.9
71.05013	0.5
79.05511	0.5
81.07068	1.0
82.79900	0.4
94.88930	0.3
95.05003	0.7
101.67320	0.4
109.10144	0.5
111.74007	0.3
113.05931	0.5
117.80000	0.4
136.10164	0.4
143.83293	0.3
174.70300	0.4
196.96379	0.3
203.01329	0.4
341.04541	0.4
551.26453	0.5
723.37146	100.0
724.37500	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	723.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
57.03443	1.5
59.04990	0.4
61.02929	4.0
67.05505	9.3
69.03435	2.5
69.03750	0.4
69.07072	1.5
69.47248	1.7
71.01373	0.6
71.04996	0.7
73.02923	3.9
79.05502	1.5
81.03422	1.5
81.07064	4.3
83.05006	0.6
83.08633	1.2
85.02902	4.8
91.03953	2.4
91.05492	1.5
93.07061	1.0
95.04964	0.6
95.08630	1.6
97.02879	3.7
97.06536	0.9
99.04454	0.5
101.02403	1.7
105.07038	1.2
107.08624	1.2
109.02937	0.7
109.06561	0.6
109.10160	9.0
117.06995	0.4
119.08618	1.6
121.10176	0.6
122.65758	0.4
127.03935	1.3
133.10190	0.7
147.11732	1.0
149.09605	0.5
149.13385	0.5
155.10704	1.1
173.11717	2.6
183.40010	0.4
185.04222	0.8
195.09941	0.8
229.14397	1.3
237.67287	0.5
243.08340	3.1
251.12630	0.5
275.20071	0.6
301.09021	0.5
308.29626	1.1
309.29916	0.5
333.20346	3.5
389.23135	0.6
413.17804	12.4
414.18442	0.4
423.20026	0.4
442.60031	0.4
485.20013	0.8
551.28296	4.5
552.29059	0.4
595.31409	0.5
723.39209	100.0
724.39551	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	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01875	8.8
55.05516	6.7
57.03435	4.0
57.07079	2.3
61.02930	2.4
65.03939	2.6
67.05505	32.3
69.03416	2.7
69.07069	7.0
70.06583	5.5
71.04992	3.9
72.08141	2.3
79.05495	21.7
81.03418	6.2
81.07053	23.0
83.04984	26.2
83.08593	2.7
85.02903	5.7
85.06551	2.3
91.05481	18.8
91.23991	1.9
93.07047	28.7
95.04963	10.0
95.08620	9.4
97.02912	2.5
97.06503	11.0
97.10212	1.9
99.04437	5.2
103.03941	3.6
105.07023	9.2
107.04964	21.5
107.08595	17.9
109.06501	4.8
109.10167	12.9
111.04443	55.0
111.08072	13.6
117.07029	9.7
119.04888	1.7
119.08594	9.7
121.06517	2.5
121.10139	29.6
123.04433	2.3
123.08096	2.0
125.06002	3.3
127.03921	3.9
129.06982	4.8
131.08548	10.2
133.10104	2.9
135.08008	3.6
135.11685	32.0
137.62103	1.8
145.06499	3.5
145.10120	38.4
147.08105	2.0
147.11711	6.0
149.09647	7.9
153.12738	25.3
155.08560	7.2
156.80695	1.9
163.05984	2.5
163.11174	67.4
173.09608	23.1
181.12236	42.0
191.10667	41.4
203.17847	2.4
209.11754	11.1
227.12755	39.5
228.13095	1.9
230.15417	2.6
242.89799	1.9
265.14365	70.5
283.15387	100.0
284.15747	2.1
301.16428	51.1
347.22421	2.1
357.57089	1.9
445.25995	2.4
463.27405	2.8
491.26389	55.1
492.26471	2.7
509.27451	54.6
510.27817	2.6
527.28510	73.0
528.28632	4.8
724.38800	13.0
725.36249	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	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80780	0.9
55.01874	2.7
55.05507	10.1
57.03442	4.0
61.02927	3.2
67.05506	14.5
69.03433	4.4
69.07076	12.8
70.06599	1.1
70.50809	0.9
71.04983	2.1
71.44695	1.2
73.02912	2.9
79.05489	13.0
81.03405	4.9
81.07056	11.7
83.04990	2.3
83.08614	6.2
85.02936	5.8
85.27209	1.0
91.03951	2.5
91.05482	10.6
93.07056	10.7
95.04977	5.3
95.08602	6.8
97.02895	6.7
97.06533	1.2
97.10178	6.7
105.07045	9.4
107.04958	6.3
107.08575	7.2
109.02913	1.3
109.06500	1.6
109.10160	7.5
111.08086	1.2
117.07021	3.4
119.08591	6.6
121.06497	1.5
121.10152	3.3
123.08078	2.3
125.09635	6.0
127.03900	2.1
129.06985	2.2
131.08545	5.7
133.06502	1.6
133.10103	6.1
135.08063	1.8
135.11682	2.7
137.09621	1.3
143.08571	2.7
145.10092	2.8
147.08058	3.2
147.11661	1.6
149.09590	2.4
151.11195	2.3
157.10127	1.8
157.54680	1.1
161.09650	1.7
163.06090	1.5
171.11639	1.3
175.11163	2.1
184.07349	1.6
189.11214	2.9
193.12283	2.7
201.74275	1.1
205.12282	1.2
211.13329	1.6
223.13336	12.7
227.12805	2.5
245.13821	1.1
253.14368	2.6
263.19891	1.1
265.14435	2.2
267.15936	2.6
271.15674	1.3
273.18466	6.2
285.16934	10.4
291.19537	50.8
292.19870	1.7
347.22101	3.5
365.23239	100.0
366.23642	2.3
437.98453	1.0
439.34021	1.0
477.27887	1.3
509.27756	1.5
527.28625	2.2
691.36713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
53.03956	4.4
55.01869	9.7
55.05284	1.6
55.05516	6.7
57.03422	6.1
58.66811	1.5
61.02911	2.8
65.03941	2.7
67.05165	3.0
67.05506	44.0
68.98086	1.5
69.03419	3.6
69.07065	9.4
69.31323	8.0
70.06598	9.4
71.05002	1.9
72.08164	2.1
79.05495	34.8
81.03410	11.5
81.07065	35.2
82.57023	1.5
83.04982	18.3
83.08617	1.8
84.08152	2.2
85.02896	12.3
85.06556	4.1
86.09694	2.8
91.05482	22.4
93.07047	35.9
95.01363	2.7
95.04980	17.2
95.08614	18.4
97.02903	4.2
97.06525	12.0
97.10171	2.1
98.09712	1.7
99.04433	5.2
103.03957	7.1
103.05466	2.0
105.04504	2.8
105.07033	16.8
107.04964	44.2
107.08600	24.3
109.02879	2.8
109.06509	3.7
109.10165	15.1
111.04452	23.8
111.08101	9.4
117.07021	14.4
119.04862	1.6
119.08602	22.5
121.06484	1.7
121.10146	38.5
121.10990	2.7
123.04417	3.2
123.08041	1.9
127.03931	8.8
129.06990	6.1
130.07832	2.2
131.04909	4.5
131.08594	9.6
133.10127	6.0
135.08015	2.2
135.11700	41.3
145.04950	5.6
145.06461	10.5
145.10135	45.9
147.08008	4.2
147.11696	6.5
149.09630	7.1
151.16692	1.4
153.12775	12.0
155.08557	12.3
155.44569	1.6
161.13310	1.9
163.06004	5.8
163.11188	61.7
164.11589	1.8
165.09106	1.8
173.09618	34.6
181.12251	17.3
191.10661	24.9
203.17972	8.1
207.06538	2.1
209.11684	10.7
221.15392	2.1
221.19089	1.8
227.12762	17.4
265.14352	100.0
266.14661	2.9
283.15424	60.0
301.16452	63.9
307.10242	4.2
347.22070	3.7
445.25827	3.9
463.26920	1.9
473.25333	22.3
491.19510	2.9
491.26428	50.1
509.20514	2.3
509.27505	26.1
527.28571	87.4
528.28900	2.9
724.39636	10.1
725.38226	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01871	2.7
55.05514	7.7
57.03431	4.0
57.07051	0.9
61.02926	8.7
65.03915	0.9
67.05504	17.2
69.03403	1.9
69.07070	8.9
69.63876	2.1
71.04970	1.6
73.02914	3.6
79.05489	16.0
81.03398	2.4
81.07053	47.4
82.07365	0.9
83.04978	2.6
83.08608	8.3
85.02898	11.0
85.06507	1.7
85.24364	0.5
87.04447	0.6
91.03461	0.6
91.03954	6.8
91.04953	1.0
91.05475	13.4
93.07039	12.7
95.04966	6.6
95.08604	13.1
97.02905	5.1
97.06533	4.5
97.10139	0.7
98.22690	0.6
99.04408	1.0
99.08057	1.9
105.06357	0.8
105.07027	14.7
107.04954	5.7
107.07925	0.9
107.08594	10.6
109.06513	21.5
109.10160	5.4
110.06887	0.5
111.08051	2.0
115.05415	0.7
117.07013	4.7
119.07737	1.0
119.08569	14.6
121.06485	3.6
121.10148	8.3
123.08055	4.3
123.11695	3.0
124.69354	0.6
125.09610	1.3
127.03933	2.6
129.06978	2.3
130.07745	0.5
131.08560	8.3
133.06433	1.3
133.10129	10.5
135.08041	3.0
135.11662	4.0
137.09599	2.2
139.11165	1.0
141.06931	0.7
143.08542	1.4
145.04968	2.5
145.10117	8.3
147.08054	0.8
147.10568	0.9
147.11668	12.4
149.09615	5.2
149.13219	4.7
151.11127	2.0
155.08601	1.1
157.10123	2.8
159.08093	0.6
159.11711	6.4
161.09599	1.3
161.13240	2.8
163.05969	3.8
163.11192	4.2
163.14799	1.9
165.12730	3.6
169.10158	1.0
171.11629	1.7
173.09590	0.8
173.13231	3.0
175.11133	2.0
175.14812	0.7
177.12718	2.0
179.14294	1.1
183.11751	0.8
187.11166	1.0
187.14723	1.0
189.12711	0.9
191.10580	0.8
191.14346	0.7
193.12209	1.7
195.13762	0.7
197.13164	0.6
207.13725	0.7
215.17857	0.7
229.19456	2.2
239.17891	1.9
247.20651	2.8
257.18964	3.5
267.15991	0.6
269.17398	0.6
275.20053	29.8
276.20438	1.1
293.21152	5.2
349.23715	100.0
350.23938	3.8
367.24771	75.9
368.25043	3.0
511.29044	1.3
529.29938	1.9
546.00555	0.6
727.30878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
51.93251	0.3
52.47380	0.3
53.03939	1.2
53.73437	0.3
55.01870	3.8
55.05257	0.8
55.05513	13.3
56.09116	0.4
56.96937	0.4
57.03176	0.5
57.03442	7.5
57.07069	0.7
59.05002	0.8
61.02928	9.9
65.03934	1.0
67.05505	21.3
69.03423	3.6
69.07070	10.0
70.06610	1.2
70.58537	0.7
71.04996	1.9
71.40992	0.4
72.43760	0.4
73.02922	3.4
75.04502	0.5
77.03925	0.4
79.05493	20.4
81.03415	3.7
81.07055	17.6
83.04991	3.0
83.08620	7.8
84.02551	0.4
85.02903	12.6
85.06537	1.9
87.04485	0.4
91.03961	8.6
91.05477	17.7
93.07047	16.6
94.07347	0.4
95.04971	3.9
95.08605	13.3
97.02330	0.6
97.02899	7.8
97.06527	5.0
97.10173	10.6
99.04489	1.3
99.08102	1.0
101.05997	0.4
103.03906	0.7
103.05438	0.7
105.04549	0.8
105.07030	21.0
107.04960	4.4
107.08593	26.7
108.08900	0.5
109.02888	1.7
109.06518	3.5
109.10159	9.2
110.10519	0.5
111.08053	1.8
113.06036	0.6
115.03930	0.5
115.05413	0.5
117.07017	8.4
119.05006	0.4
119.06054	0.5
119.08581	14.6
120.08919	0.5
121.06506	1.4
121.10146	6.1
123.08063	1.6
123.11724	1.8
125.09634	10.1
125.10510	0.7
127.03921	4.1
128.06226	0.6
129.06999	3.8
130.07802	0.7
131.08565	11.3
133.06479	0.5
133.10126	12.5
134.10483	0.5
135.08067	2.7
135.11717	4.2
137.09616	1.7
141.07002	1.2
142.07813	0.7
143.08546	4.5
143.10555	0.4
145.04961	3.4
145.10121	15.8
147.04333	0.4
147.08078	0.9
147.11676	8.9
149.09599	6.7
149.13242	1.6
151.11220	0.6
153.09068	0.9
153.12790	0.4
155.08580	2.5
157.10152	4.7
159.06729	0.4
159.10356	0.7
159.11685	12.3
161.09615	1.5
161.13266	4.9
163.06023	3.7
163.11182	3.9
165.09161	0.6
165.12766	0.8
169.10138	2.4
171.10188	1.5
171.11720	2.8
173.09761	0.5
173.11717	1.7
173.13272	5.9
175.04115	0.5
175.11253	0.7
175.14827	1.4
177.12759	1.8
179.10748	0.4
179.14325	1.2
181.10106	0.4
181.12283	0.6
183.11703	3.1
185.11641	0.7
185.13242	5.7
187.11253	1.4
187.14824	1.0
189.11226	7.6
189.12738	0.6
191.14328	1.2
197.13228	2.3
199.14833	0.8
201.12834	0.5
201.16379	1.1
203.14297	2.3
207.06529	0.7
211.14795	0.8
213.16377	0.8
215.17917	0.9
219.13661	0.4
219.17412	2.7
227.12755	10.3
229.14288	7.2
229.19530	1.7
239.17960	6.6
245.13788	4.1
247.20668	1.2
251.20125	0.5
253.18071	0.7
255.15959	1.0
257.19003	15.5
269.17380	3.2
275.20050	26.1
276.20468	0.6
281.98056	0.5
293.21161	1.4
295.19147	0.8
309.20593	1.2
331.19006	0.4
331.22516	2.6
349.23727	100.0
350.24072	3.8
367.24759	5.5
389.18063	2.2
391.24457	0.7
411.79678	0.4
433.25784	0.4
457.25418	0.6
473.77109	0.4
475.26868	0.9
493.27808	1.5
511.29074	3.8
726.41034	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	726.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	4.9
55.05256	1.0
55.05511	12.8
57.03437	10.5
57.07073	0.9
59.05008	0.9
61.02925	12.7
65.03935	0.8
67.05503	25.8
69.03426	5.2
69.07066	12.9
70.06574	1.6
71.04988	2.4
73.02919	4.6
73.06567	0.7
75.04526	0.6
79.05492	24.5
81.03405	4.8
81.07056	28.5
83.04977	4.3
83.08624	7.9
85.02900	18.0
85.06543	2.6
87.83160	0.6
91.03958	12.8
91.05476	26.6
93.06448	1.3
93.07041	26.0
95.04954	5.7
95.08605	15.8
97.02887	11.0
97.06528	7.0
97.10166	9.1
98.22709	1.5
99.04447	2.1
99.08101	2.4
101.02419	0.7
103.03926	0.6
103.05459	0.9
105.04522	1.4
105.07027	24.2
107.04954	3.7
107.08596	24.1
109.02871	2.3
109.06525	3.1
109.10155	9.7
111.08114	3.2
113.05971	0.6
113.09676	0.7
115.03938	1.4
115.05389	1.3
117.07021	12.5
119.06125	0.5
119.08580	22.7
121.06490	2.4
121.10144	9.5
123.08057	1.9
123.11707	2.4
125.09620	8.6
127.03880	4.3
128.06161	1.2
129.05484	0.9
129.06993	5.6
130.07794	0.8
131.07045	0.8
131.08560	15.0
133.06493	1.3
133.09172	1.2
133.10126	15.4
133.11143	0.8
135.08040	3.4
135.11696	6.1
137.09618	2.1
138.44460	0.6
139.07562	0.7
139.11098	0.7
141.06973	1.6
142.07738	0.8
143.08562	5.2
144.09325	0.8
145.04973	3.4
145.10115	21.5
146.10506	0.8
147.08000	0.9
147.11679	9.9
149.09593	6.9
149.13268	4.1
151.11171	1.9
153.09099	0.9
153.12660	0.8
155.08571	2.0
157.10097	6.3
158.10440	0.8
159.11690	16.6
159.12943	1.1
161.09633	2.1
161.13274	4.8
163.06018	6.3
163.11195	4.7
165.12761	1.4
169.10101	3.6
171.10170	2.4
171.11714	4.7
173.11819	1.1
173.13246	7.1
175.11182	1.6
175.14850	1.7
177.12724	4.4
179.14340	1.7
181.12247	1.1
183.11693	2.6
185.13258	8.5
186.13600	0.7
187.11142	1.1
187.14853	1.9
189.11218	4.9
189.12669	0.9
191.14308	1.4
195.13774	1.6
197.13292	2.8
199.14835	2.2
201.12839	1.0
201.16339	1.4
203.14314	4.5
204.64261	0.7
205.12102	0.8
205.15979	0.7
211.14955	1.4
213.16518	0.7
217.15906	2.2
219.13791	1.0
219.17386	3.0
227.12769	10.4
229.14265	6.3
229.19513	2.4
235.16873	0.7
239.17946	8.5
245.13820	5.3
247.20619	1.5
253.18030	1.1
255.15863	7.8
257.18991	23.1
257.21695	1.2
258.19577	1.4
267.15744	1.2
269.17477	22.9
270.17734	0.8
275.20053	37.2
276.20377	1.3
283.15439	0.7
293.21133	2.9
295.19006	1.7
309.20547	5.9
331.22580	3.1
349.23712	100.0
350.23990	4.6
367.24786	13.5
389.18051	1.3
390.87872	0.7
391.24945	0.9
413.21671	1.5
457.26123	0.7
475.26904	0.8
493.27939	1.7
511.28827	4.0
529.29529	0.9
702.92194	0.7
726.41779	1.0
727.30896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.14666	0.6
55.01876	3.1
55.05512	8.1
57.03169	0.8
57.03433	4.8
57.07069	0.9
61.02689	0.6
61.02935	7.3
65.03942	0.9
67.05160	1.2
67.05507	19.7
69.03431	2.8
69.07068	11.4
70.72247	1.2
71.04994	2.1
71.94775	0.7
73.02912	3.1
79.05492	16.5
81.03416	2.3
81.07054	48.3
82.07401	0.7
83.04986	2.8
83.08618	7.2
85.02909	8.5
85.06535	2.1
91.03956	7.8
91.05475	14.9
93.07043	17.7
93.07603	1.2
95.04953	4.2
95.08604	14.0
97.02898	5.0
97.06537	5.2
97.10170	1.7
99.08097	1.6
105.07027	14.7
107.04950	5.0
107.08589	10.8
109.06520	15.6
109.10147	5.7
111.08092	2.0
113.09593	0.7
117.07032	3.9
119.08578	12.4
121.06502	2.9
121.10136	7.0
123.08069	4.3
123.10863	0.5
123.11689	3.5
125.09631	1.3
127.03915	2.6
129.06992	1.3
131.08556	7.8
133.06506	0.9
133.10117	10.1
135.08041	2.6
135.11688	5.1
137.09601	2.7
141.06981	0.8
143.08664	0.6
145.04997	2.4
145.06473	1.0
145.10089	7.4
147.07967	1.0
147.11681	9.0
148.18051	0.6
149.09604	4.5
149.13217	5.7
151.11215	2.1
155.08556	0.8
157.08994	0.5
157.10149	2.5
159.11690	7.4
161.09549	0.6
161.13281	2.3
163.05988	3.0
163.11179	4.5
163.14838	1.3
165.12746	2.9
169.10028	0.7
171.11673	1.1
173.13283	2.3
175.11205	2.0
177.12740	4.3
179.14378	1.2
183.11734	1.2
185.13116	0.8
187.11201	1.0
187.14746	1.4
189.11113	0.6
193.12210	1.0
195.13724	1.2
197.13206	0.9
201.16353	0.6
207.13918	0.7
215.17885	0.7
219.13811	1.1
229.19505	1.3
239.17972	1.5
247.20580	2.5
255.15924	3.7
257.18939	3.8
267.70145	0.7
269.17453	8.7
275.17026	1.4
275.20047	23.2
276.20462	0.8
293.21188	4.3
349.23727	69.1
350.24109	3.0
367.24780	100.0
368.25113	4.1
401.22864	0.7
493.27820	1.3
511.29016	3.2
529.29919	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	726.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67725	2.9
55.05512	20.7
57.03436	18.3
57.07064	3.7
61.02914	4.4
65.03930	4.0
67.05505	84.4
69.07066	29.7
71.05012	2.7
71.46406	3.6
79.05499	55.6
81.07056	95.0
83.04976	7.7
83.08619	11.2
85.02885	4.7
85.06529	2.8
91.05473	29.7
93.07044	75.9
95.04991	7.3
95.08604	36.5
97.06519	11.6
97.10172	3.4
105.04488	3.1
105.07017	14.8
107.08590	37.7
109.06485	2.9
109.10123	13.2
111.08116	5.8
117.07023	13.1
119.08567	11.0
121.10134	25.3
129.45509	2.3
131.08557	10.7
133.10124	11.7
135.11674	13.2
145.10243	3.0
145.26831	2.4
147.11702	4.6
149.13275	22.3
159.11665	7.0
161.13248	4.1
170.02560	2.5
173.13216	3.3
177.12787	6.9
177.77768	2.6
195.13753	5.1
236.62099	2.4
261.22076	12.1
269.17444	52.1
317.24374	2.8
335.25845	54.6
529.30804	5.2
529.38849	100.0
530.38983	6.0
585.39136	2.8
722.97137	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	727.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01868	4.0
57.03430	5.1
61.02932	6.1
65.03944	1.3
65.37630	0.9
69.03437	15.6
69.61243	4.3
70.06589	9.6
71.01375	1.0
72.08140	2.5
73.02921	2.8
81.03410	6.9
84.08125	1.9
85.02905	31.8
86.09705	4.7
87.02845	1.3
87.04475	1.4
97.02891	12.8
98.23405	1.4
99.04466	1.9
103.03961	2.7
107.04951	1.0
109.02900	5.3
110.07179	1.8
111.04510	1.0
119.04944	6.7
121.02869	36.8
127.03890	7.7
129.10210	1.5
136.07578	1.1
144.18108	1.0
145.02849	4.4
145.04964	3.7
151.48479	0.9
161.02315	1.2
163.03912	2.1
171.04489	1.2
175.03848	2.0
176.01036	1.2
177.01857	1.7
177.05440	1.2
179.03413	2.2
187.03885	2.6
189.01862	9.2
189.05399	1.6
190.02496	1.4
191.03409	5.9
195.02913	3.7
197.06000	1.2
199.03885	1.5
201.05458	3.1
203.03412	13.6
205.04965	1.9
207.02869	4.3
213.05527	1.3
214.59447	1.0
215.03416	5.2
217.04909	6.6
219.02888	4.1
221.04410	3.9
227.03448	1.7
229.05003	5.0
231.02904	2.0
233.04434	3.1
241.04916	3.1
245.04385	2.6
251.07236	1.3
255.02885	2.2
255.06468	1.1
257.04443	1.1
259.06039	1.3
261.03772	1.2
267.06433	2.2
268.07269	2.9
269.04416	2.4
273.03891	2.4
279.06494	5.3
280.07349	1.9
281.08047	3.8
283.05917	8.3
284.06677	1.9
285.03775	1.5
291.06381	1.9
292.07376	2.2
293.07959	6.3
294.05203	18.4
294.08463	1.4
295.06018	72.4
295.09195	2.4
296.06705	6.9
296.09744	1.4
297.07480	7.6
298.08316	1.7
301.07983	1.0
303.06570	0.9
305.08081	3.4
307.06015	57.4
307.09412	2.5
308.06769	21.4
309.04129	1.7
309.07526	19.4
309.11014	0.7
313.06976	6.9
317.08151	5.2
318.08710	1.2
319.05988	8.6
319.09381	2.2
320.06818	5.4
321.07571	51.4
321.11334	2.6
322.08340	13.8
323.05511	3.0
323.09085	6.6
325.07053	74.7
326.07376	2.2
329.08066	2.6
333.07544	19.9
334.08340	3.3
335.05447	2.7
335.09103	20.3
336.06232	4.0
336.09863	1.8
337.07050	65.6
338.07281	2.3
339.08688	3.6
345.07574	7.5
346.08334	1.6
347.09103	14.6
348.06091	1.7
349.07053	59.0
349.10425	2.4
350.07349	2.3
351.08591	26.1
355.08105	11.2
357.07455	2.2
359.09076	5.4
361.07031	22.6
361.11322	1.4
362.07614	1.8
363.08557	17.3
364.08987	1.5
365.10205	7.8
367.08130	11.2
373.07086	8.6
374.07526	1.3
375.08658	19.2
377.05911	1.3
377.10175	3.6
379.08109	91.4
380.08389	4.9
381.09732	3.1
385.07095	3.2
387.08673	7.0
388.08813	1.5
389.10706	4.9
391.08102	42.3
392.08612	1.5
393.09601	2.7
397.09222	22.8
399.08545	1.4
401.10193	2.6
403.08072	24.9
405.09647	13.9
409.09167	35.2
415.10141	13.5
417.09576	4.1
419.11151	4.5
421.09125	17.1
423.10736	1.6
427.10376	28.8
428.10669	1.3
429.09604	3.1
433.09229	29.8
437.12521	1.1
439.10339	12.5
445.11343	46.5
446.11407	1.7
447.10910	1.9
451.04001	1.7
451.10257	35.7
457.11331	43.5
463.10370	5.8
469.11313	74.6
470.11646	3.6
475.10498	9.1
481.11282	26.9
493.11310	21.1
494.11795	1.2
499.12363	40.5
500.12402	1.9
511.12390	48.7
512.12134	2.0
529.13397	47.2
530.13574	2.0
541.13867	2.4
547.14484	100.0
548.14557	4.0
565.15460	20.8
571.14380	8.2
589.15405	14.6
601.15735	2.0
607.15863	1.2
619.16705	5.3
620.46704	1.2
637.17456	2.2
643.16553	5.0
655.16138	2.0
661.17932	8.2
673.17700	17.9
691.18665	17.6
709.19775	10.2
727.20587	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	727.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
56.05027	1.4
57.03430	1.2
61.02935	1.3
66.22292	1.2
69.03429	2.6
70.06586	7.2
71.20403	1.5
72.08160	3.1
81.03436	1.6
84.08162	1.9
85.02915	9.2
85.22276	1.0
86.04616	1.0
86.09711	2.5
88.82862	1.2
96.63903	1.1
97.02895	2.8
107.04945	1.4
109.02889	2.7
110.07154	2.0
119.04927	5.3
121.02863	29.9
127.03934	1.8
129.10219	2.0
135.60753	1.1
145.02853	1.9
145.04974	1.9
155.08162	1.2
162.95889	1.2
163.03841	1.3
179.03387	2.0
189.01820	5.9
191.03377	3.6
192.36385	1.1
195.02957	3.5
199.03876	2.0
201.05424	1.1
203.03377	11.3
205.04947	2.0
207.02908	6.4
211.03749	1.2
215.03398	4.7
217.04984	3.6
219.02881	2.2
221.04489	3.9
227.03307	2.4
229.04976	5.2
231.02988	1.3
233.04419	2.8
239.03380	2.6
241.04997	2.0
243.03172	1.4
245.04510	1.4
255.02742	1.8
257.04465	3.0
261.03918	1.3
267.06641	1.5
268.07358	3.9
269.04602	1.6
273.03952	2.2
279.06552	6.3
280.07245	1.8
281.08136	4.7
283.05988	7.5
284.06708	2.7
285.04150	1.9
293.07974	3.0
294.05246	16.7
295.06009	83.7
296.06540	7.2
297.07446	8.5
305.08078	2.6
307.06000	54.4
307.08936	2.4
308.06747	16.9
309.04037	1.4
309.07449	17.0
313.06894	2.6
317.08163	4.7
318.08667	2.5
319.05984	6.4
319.09418	2.7
320.06772	5.2
321.07541	47.4
321.11380	2.4
322.08353	15.4
323.09146	7.0
325.07056	89.1
326.07272	3.3
329.08081	1.5
331.09686	1.9
333.07513	21.7
334.08224	2.8
335.05365	2.3
335.09094	17.5
336.06201	3.0
336.09772	1.7
337.07062	55.0
338.07193	2.4
339.04834	1.6
339.08679	2.5
345.07632	4.2
346.08240	2.8
347.09113	16.1
349.07050	62.8
349.10345	2.5
350.07562	4.2
351.08600	28.0
352.08969	1.8
355.08231	9.4
357.07645	1.1
359.09195	4.6
361.07056	22.4
361.11267	1.9
363.08603	9.5
365.10272	11.3
367.08157	11.8
373.07062	6.9
374.07773	1.5
375.04361	1.2
375.08627	15.1
377.10178	4.3
379.08102	100.0
380.08353	3.3
385.07159	4.3
387.08557	8.4
389.10364	5.9
391.08090	35.0
391.13184	1.8
393.09653	3.8
397.09253	17.3
398.09897	1.2
401.10303	2.7
403.08087	29.5
405.09741	11.2
409.09134	21.8
415.07996	8.9
417.09619	3.3
419.11237	8.4
421.09146	14.2
427.10269	12.4
429.09555	3.5
433.09177	33.9
434.09955	1.5
437.12634	2.0
439.10016	4.8
445.09164	15.0
447.10550	1.4
451.10214	27.9
452.10651	1.6
457.10770	13.0
463.09985	1.4
469.11279	18.2
475.10150	7.9
481.11151	4.8
487.12271	5.4
493.11313	12.2
499.12292	4.3
511.12317	15.6
517.13507	2.2
529.13696	9.6
541.13452	15.4
547.14508	9.8
553.13855	2.6
559.14417	34.0
560.14520	2.6
565.14233	3.2
571.14502	18.3
572.15295	1.3
577.15460	16.3
583.14258	5.1
589.15485	11.8
595.14233	2.4
601.15527	11.6
607.16504	22.0
613.15503	23.6
619.16528	29.6
620.16589	1.6
625.15594	2.4
631.16534	60.7
632.16595	3.8
637.16797	1.4
643.06531	2.2
643.16510	29.2
644.16473	2.6
655.16455	12.9
661.17566	32.8
662.17670	2.5
673.17548	24.4
674.17719	2.2
691.18689	35.9
692.18542	2.5
709.08118	2.3
709.19763	38.2
710.19769	2.2
726.40973	2.3
727.20947	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	727.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
61.02921	4.6
69.03419	7.4
69.36909	6.1
70.06581	11.4
72.08153	3.6
77.03616	1.5
81.03425	1.6
81.86526	1.5
84.08143	4.9
84.99089	1.8
85.02895	12.1
86.09703	7.9
91.05479	3.5
95.05034	2.0
97.02890	5.2
98.22746	3.6
98.57819	1.7
99.04449	1.6
103.03953	4.1
110.07146	4.0
116.07133	1.8
119.04947	7.6
121.02860	47.8
127.03901	4.5
129.10214	2.6
135.04433	1.9
136.07565	7.0
138.59679	1.6
142.29649	1.9
145.02843	5.1
147.04401	2.6
150.16917	1.5
159.04440	2.2
163.03938	2.2
177.01846	2.1
187.03871	3.3
189.01836	6.9
189.05377	2.7
191.03381	5.1
195.02965	5.1
199.03918	2.3
203.03369	13.6
207.02864	5.8
211.03911	2.4
215.03368	6.0
217.04982	8.7
219.02867	4.4
221.04430	4.6
227.03540	2.2
229.04932	2.7
233.04408	4.4
241.04832	3.3
243.02939	5.2
245.04504	3.9
255.02940	3.2
267.06635	2.6
273.03943	4.7
279.06519	4.8
281.08002	6.1
283.06036	7.6
284.06647	3.3
291.06653	2.7
292.07278	1.8
293.08041	4.3
294.05206	22.1
295.02634	4.2
295.06012	86.4
296.06665	6.9
297.07568	7.0
305.08160	3.0
307.06046	54.2
307.09637	3.7
308.06696	20.3
309.04114	2.5
309.07532	18.9
313.06949	5.9
317.08127	4.8
319.06119	7.8
320.06812	11.3
321.04535	1.8
321.07562	59.8
322.08194	4.6
323.05423	4.7
323.09195	6.6
325.07040	73.5
326.07428	2.9
329.08096	4.6
331.05804	3.3
333.07635	23.1
334.08298	6.6
335.05338	3.5
335.09091	26.8
336.06161	4.0
337.07053	68.3
338.07462	2.6
339.08691	5.6
345.07523	19.2
347.05447	2.0
347.09106	9.1
349.07059	69.0
350.07495	4.9
351.08664	29.4
352.08984	2.6
355.08136	11.1
359.09207	8.6
361.06973	35.6
362.07684	3.2
363.08652	32.9
367.08163	12.5
371.09387	2.3
373.06979	18.5
373.10898	1.8
374.07587	3.2
375.08633	14.7
377.06253	2.4
379.08133	74.2
380.08463	3.9
381.09671	2.6
387.08768	10.9
391.08099	87.2
392.08301	3.9
393.09781	2.3
399.08795	2.3
401.10147	5.7
403.08203	20.9
405.09674	4.4
409.09167	48.2
410.09406	3.3
415.07965	20.9
417.09613	3.4
421.09018	11.4
427.10321	23.2
429.09610	5.7
433.09167	24.6
439.10129	7.3
445.08984	11.4
451.10355	4.2
457.10379	11.2
463.10284	10.4
469.11136	3.2
475.10248	10.2
481.11310	15.6
487.12326	5.7
493.11246	13.4
499.12390	8.1
511.12341	57.0
517.13348	3.9
529.13409	15.7
541.13348	15.6
547.14307	8.3
553.13513	6.3
571.14465	44.8
589.15497	94.9
590.15741	4.9
595.14539	4.7
601.15466	2.1
607.16260	5.1
613.14899	2.6
619.16437	11.8
625.14801	2.7
631.16028	2.7
637.17444	15.5
643.16528	25.3
655.16016	7.1
661.17731	27.1
673.17560	100.0
674.17755	5.6
691.18695	63.1
692.18811	2.7
709.19513	30.8
726.86511	2.4
727.20490	5.6
727.34662	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	727.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01860	4.8
57.03428	5.4
58.22295	1.5
61.02930	8.5
69.03429	22.2
69.20606	9.5
69.78115	1.4
70.06589	17.1
71.01338	1.6
71.04974	1.9
72.08154	6.8
73.02905	2.7
81.03409	8.3
83.01354	1.9
84.04494	3.0
84.08125	4.3
85.02905	39.8
86.09711	13.3
87.86784	1.8
91.03911	2.0
97.02873	15.3
99.04427	2.7
103.03915	1.7
109.02879	6.5
110.07142	3.6
111.04489	1.6
119.04950	6.5
120.08065	2.0
121.02059	2.9
121.02869	34.6
127.03922	6.8
129.10214	3.4
130.05032	1.7
132.89240	1.5
136.07506	2.7
141.10262	1.9
142.66731	1.4
145.02841	6.0
145.04961	3.7
147.04442	1.6
163.03891	2.6
164.04225	1.9
175.03922	3.3
177.01793	2.8
189.01793	7.4
191.03340	4.7
195.02925	3.6
199.03877	2.7
201.01797	3.3
203.03412	13.1
205.12398	2.4
207.02876	6.7
215.03391	4.3
217.05054	4.0
218.11353	1.9
219.02870	6.4
221.04398	5.2
227.03358	3.0
229.04903	4.6
231.02934	2.4
233.04533	4.2
243.02933	3.2
255.02994	2.4
257.04480	2.2
267.06360	2.4
268.07321	3.0
273.03821	2.2
279.06567	5.2
280.07217	3.0
281.08023	5.3
283.05972	7.4
284.06839	2.8
285.04056	1.9
293.08005	3.5
294.05179	24.1
294.08389	2.7
295.02625	3.6
295.05997	68.4
296.06653	7.1
297.07535	8.6
305.08105	2.7
307.05997	62.5
307.09619	4.0
308.06757	19.2
309.04099	2.0
309.07547	22.7
313.06979	7.2
315.16568	4.1
319.06000	9.7
319.09338	3.4
320.06815	6.8
321.07538	42.1
322.08325	15.9
323.05411	3.3
323.08966	6.6
325.07071	92.4
326.07462	3.7
333.07620	20.5
334.08075	3.1
335.05502	2.8
335.09167	21.1
336.06226	5.8
337.07053	74.2
338.07217	1.9
339.04932	1.8
339.08664	2.6
345.07629	2.8
346.08182	2.3
347.09192	17.9
349.07071	44.2
349.10764	1.7
350.07523	3.7
351.08627	32.4
355.08139	14.6
357.07462	2.3
359.09036	3.3
361.07004	22.9
363.08594	13.5
365.10144	16.0
367.08124	12.7
373.07010	6.4
375.08658	16.8
377.10300	5.1
379.08090	94.2
380.08395	3.4
385.07043	3.8
387.08667	8.1
389.10324	3.4
391.08044	29.7
392.08475	2.1
393.09683	2.7
397.09189	27.6
398.09808	2.2
401.10464	2.3
403.07938	26.7
404.08575	1.7
405.09650	11.9
406.10190	1.9
409.09122	36.1
410.09671	1.9
415.09299	10.8
417.09775	2.1
419.11179	6.3
421.09180	20.3
427.10306	30.4
429.09869	2.0
433.09048	25.4
439.10352	14.0
445.11386	48.9
446.11551	2.2
451.10300	33.9
457.11340	55.7
463.10297	3.7
469.11322	75.2
470.11783	2.4
475.10992	7.6
481.11261	30.1
493.11270	22.0
499.12366	41.8
511.12354	43.4
512.12579	1.8
529.13458	45.6
547.14459	100.0
548.14661	5.4
565.15576	23.7
619.16327	2.3
629.17053	1.8
637.17230	2.4
691.18011	4.1
709.19592	2.8
727.19916	2.9
727.31989	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	731.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63485	0.9
71.75204	0.9
72.08138	1.4
85.00042	1.2
91.05485	1.7
98.09695	1.6
98.97603	1.1
106.93750	1.0
119.04954	1.6
125.22785	1.3
138.83095	1.2
145.54387	1.1
149.01222	1.3
218.11568	1.1
362.30728	1.4
363.30927	1.3
448.21545	1.1
455.10959	2.4
569.28979	1.1
643.06378	1.1
721.83801	1.2
731.32428	100.0
732.32629	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	731.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
56.05023	0.6
56.96556	1.5
57.03431	1.4
61.22015	0.4
65.03921	0.4
67.05495	1.7
69.07063	1.3
69.30122	2.3
69.30429	0.4
70.80653	0.4
72.08159	1.2
79.05492	1.6
80.55786	0.4
81.03417	0.9
81.07059	1.8
91.05478	8.0
91.06053	0.5
92.05822	0.6
93.07037	1.2
94.54591	0.4
95.08601	1.7
97.06527	1.5
98.09692	7.5
98.97576	2.6
99.08108	0.9
99.10020	0.9
105.07034	1.0
110.97548	0.4
112.99142	0.7
116.98632	0.8
117.07018	2.8
118.07338	0.6
119.04944	5.6
119.08574	0.5
120.05249	0.8
121.10172	0.7
128.98624	0.9
131.00179	1.2
131.08545	3.9
132.08948	0.7
135.11673	0.4
142.12257	4.4
143.00183	0.8
143.12605	1.1
147.04416	4.7
148.04770	1.2
149.01202	1.4
157.03969	0.8
158.99628	1.5
170.99666	1.2
175.03905	8.8
176.04276	1.9
177.00719	0.6
189.00722	0.7
191.02333	1.0
207.06514	14.1
208.06894	3.0
275.04474	0.5
279.03906	1.2
293.05438	1.6
311.06552	0.7
321.04956	1.3
333.17151	0.8
344.29572	2.3
345.29785	1.3
351.10815	0.5
362.30521	9.7
363.30835	7.4
369.11749	0.7
437.09805	1.0
455.10773	4.0
569.27454	0.6
586.03430	0.5
730.41956	2.6
731.32062	100.0
732.32617	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	731.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74912	0.3
61.38524	0.3
62.71733	0.3
71.96946	0.3
78.58952	0.3
78.76046	0.3
98.22607	0.6
129.63789	0.3
149.92151	0.3
166.87122	0.3
185.04301	1.0
201.03650	0.5
203.05231	1.6
241.07036	0.3
259.07947	1.7
305.08490	0.4
319.10254	0.7
331.10126	1.1
347.09412	3.1
363.09079	0.8
365.10638	3.9
407.24057	2.2
421.13235	2.4
441.21219	1.5
457.20514	1.0
471.22275	0.7
493.15323	2.2
499.21500	0.7
507.16956	0.5
549.21716	0.8
569.29364	10.9
570.29956	1.1
588.63904	0.3
603.26312	3.3
605.28137	0.7
619.25610	0.6
633.26996	0.9
661.26788	1.2
731.34576	100.0
732.34845	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	731.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40492	0.2
64.61562	0.2
64.64514	0.2
70.06583	0.3
76.91768	0.2
85.45893	0.2
98.23458	0.5
124.22810	0.2
183.72253	0.3
185.04205	1.5
187.26358	0.2
196.04329	0.2
201.03665	0.3
203.05328	0.9
245.06410	0.3
259.08011	1.0
275.07553	0.4
301.08945	0.4
305.08713	0.2
331.10138	1.6
345.11609	0.3
347.09454	3.7
347.13263	0.3
359.13226	0.2
363.08923	2.1
365.10648	0.3
373.14886	0.3
392.96088	0.2
407.24097	2.1
421.13394	0.6
429.25143	0.2
437.12842	0.9
441.20947	1.7
443.22516	0.8
463.13605	0.3
471.22141	0.6
475.57364	0.3
493.15259	3.9
499.21262	1.3
507.16898	1.2
521.18451	0.4
535.19800	0.5
549.21411	1.1
569.29279	12.9
570.29718	0.8
589.25122	0.3
603.26135	5.2
605.27765	0.7
606.27594	0.3
633.27307	0.9
661.26825	1.6
731.34546	100.0
732.34900	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	731.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24624	0.2
65.01636	0.2
69.74302	0.2
69.79271	0.7
70.06609	0.2
72.08141	0.2
79.88057	0.2
84.01933	0.2
98.09748	0.2
98.23477	0.4
102.42630	0.2
110.31727	0.3
123.56719	0.2
125.02064	0.3
130.07932	0.2
140.37321	0.2
168.86588	0.2
172.95438	0.2
185.04279	0.7
201.03757	0.4
203.05252	2.0
245.06482	0.2
257.06317	0.3
259.07864	1.8
275.07449	0.3
301.09116	0.2
305.08438	0.6
319.10141	0.7
321.16748	0.4
329.08539	0.4
331.10059	0.3
333.20349	0.5
347.09494	4.0
347.13406	0.4
363.08905	1.1
365.10550	5.6
376.67923	0.2
389.22937	0.3
407.23932	1.5
421.13153	3.4
471.22040	0.2
481.24304	0.7
483.22028	6.2
484.21680	0.3
493.15131	1.0
507.38876	0.2
521.18774	0.3
525.26331	0.2
569.29315	8.8
570.29797	0.8
633.27252	1.1
643.29797	0.4
645.27271	6.0
646.27350	0.4
661.26782	0.3
731.34564	100.0
732.34857	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	731.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59061	0.2
66.86486	0.2
69.68452	0.2
70.06610	0.3
91.05480	0.3
93.07037	0.2
110.30753	0.2
130.87186	0.2
157.04919	0.3
184.82999	0.2
185.04288	0.8
201.03748	0.3
203.05232	1.1
245.06357	0.4
259.07880	1.2
275.07236	0.2
295.15442	0.2
300.13721	0.2
301.09091	0.4
305.08383	0.3
321.16968	0.5
331.10132	0.7
347.09454	3.8
354.29681	0.2
363.08948	1.1
365.10458	1.5
407.24124	1.5
421.13153	1.4
437.12787	0.3
446.64633	0.3
455.86441	0.2
457.20367	1.0
471.21793	0.9
471.88992	0.2
481.23898	0.5
483.22043	3.4
487.21490	0.2
493.15302	1.8
499.21634	0.4
507.17130	0.3
535.20166	0.3
549.20935	0.3
569.29340	9.5
570.29742	0.7
617.27557	0.3
619.25250	0.5
633.26837	1.5
643.29773	0.3
645.27295	5.2
646.17316	0.2
646.27747	0.3
661.26764	0.6
704.56488	0.2
731.34540	100.0
732.34851	7.8
758.73273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.03442	1.0
61.02926	4.0
67.05493	3.7
69.03436	1.9
71.04971	0.6
73.02899	2.6
79.05498	1.6
81.03423	0.9
81.07059	4.1
85.02895	3.8
85.32980	0.7
91.03956	2.9
91.05499	1.3
93.07030	3.1
94.53214	0.5
95.04962	0.7
95.08636	2.1
97.02868	2.8
98.23508	1.3
99.04452	0.6
101.02375	1.2
105.07013	1.0
107.08602	1.5
109.10192	1.3
111.99887	0.5
119.08573	0.6
121.10136	1.2
127.03937	1.3
135.11708	0.7
149.13234	0.7
159.11716	0.6
175.63571	0.6
184.45921	0.5
235.13095	1.3
243.08481	1.7
444.63046	0.6
453.20963	3.7
519.29376	5.5
596.21191	0.6
704.47699	0.7
731.43353	100.0
732.43713	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	738.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.05509	7.7
56.53191	1.9
57.03432	7.3
61.55540	1.6
61.83618	1.5
67.05505	35.2
69.07078	10.5
77.03878	1.5
79.05497	39.0
81.03412	2.5
81.07059	30.1
83.04971	6.4
83.08624	5.1
88.81111	1.9
91.05479	27.0
93.07043	44.0
95.04982	11.4
95.08599	24.4
97.06497	2.6
97.10196	2.3
102.05683	1.7
105.07023	19.4
107.04966	4.1
107.08605	15.6
109.06583	2.2
109.10162	9.9
116.41710	1.9
117.07019	6.3
119.08559	14.1
121.10154	8.7
123.08058	2.6
129.06995	6.7
131.08636	3.8
133.10146	8.0
133.68118	2.1
135.11687	4.2
139.14749	2.0
143.08600	2.7
145.10124	5.9
147.11668	18.8
149.13252	3.7
161.09625	2.4
161.13301	5.2
171.11690	11.5
189.12820	2.8
207.13771	11.0
236.67613	1.9
251.98972	1.9
261.22244	5.1
262.25296	3.7
281.17493	63.8
335.22195	1.5
335.25803	39.7
336.25995	3.1
485.36581	2.2
541.38867	100.0
542.38947	7.3
559.39447	3.5
668.57367	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01847	1.6
55.05510	10.5
57.03440	7.9
57.03700	0.5
57.07029	1.0
61.02899	0.9
65.03912	1.3
67.05505	30.7
69.03437	1.9
69.07071	8.3
69.54472	0.9
69.54858	0.8
71.04948	1.5
73.02877	0.8
77.03865	0.8
79.05492	27.3
80.05823	0.3
81.03394	0.9
81.07057	33.3
83.04982	2.2
83.08619	7.3
85.02865	1.1
85.06518	0.9
85.10166	0.4
90.27418	0.3
91.03925	0.4
91.05479	11.5
93.07045	39.0
94.07379	0.7
95.04418	0.5
95.04970	5.7
95.08606	38.3
97.02895	2.8
97.06541	3.6
97.10116	1.5
98.22789	0.7
99.04450	2.8
99.08069	0.7
103.05418	0.4
104.07065	0.3
105.04463	1.1
105.07039	8.4
107.04961	4.2
107.08595	24.8
109.06467	1.4
109.10158	9.3
111.04413	0.6
111.08038	1.0
113.05966	0.5
113.09666	0.5
115.05429	0.4
117.07018	6.3
119.08583	8.8
121.06508	3.1
121.10147	14.8
123.08025	0.5
123.11713	2.4
125.05984	1.8
129.06952	0.5
130.07800	0.9
131.08566	3.6
133.10114	4.1
135.08076	0.9
135.11690	32.6
136.11966	0.4
137.13200	0.7
139.07477	1.2
143.08525	0.6
145.10127	16.6
147.11685	2.5
149.13242	2.5
153.12740	0.6
159.11705	2.0
161.13187	1.1
163.11180	34.2
163.14790	1.1
164.11565	0.5
173.09552	0.6
173.13243	1.5
175.14803	0.8
181.12222	5.3
187.14865	0.9
187.36557	0.3
201.16438	0.5
209.11768	1.0
212.04187	0.3
227.12772	42.7
228.13094	0.8
243.21091	2.2
261.22131	6.1
283.15390	51.7
284.15701	1.1
306.27780	0.6
317.24768	1.7
335.25793	100.0
336.26108	3.5
543.36810	77.8
544.37213	4.3
674.22925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
54.53133	1.0
55.01866	2.6
55.05509	11.5
57.03442	9.1
57.07066	2.2
65.03939	2.5
67.05505	39.4
69.03428	1.5
69.07067	11.3
69.54697	4.0
71.04989	2.6
73.02923	1.4
75.56020	1.0
79.05493	37.9
81.03400	2.2
81.07054	46.4
83.04970	3.4
83.08613	8.9
83.35294	1.1
85.06490	1.2
91.05471	14.4
93.06438	2.0
93.07043	51.7
95.04967	7.3
95.08605	54.5
97.02888	3.6
97.06538	5.0
97.10173	1.7
98.22755	1.6
99.04455	3.9
105.04518	1.7
105.07036	13.4
107.04967	6.3
107.08589	36.1
109.06494	1.2
109.10157	10.8
111.08074	1.5
117.07020	9.2
119.08581	15.1
121.06491	4.1
121.10127	18.7
123.11663	5.0
125.05988	2.2
129.07080	1.2
131.08583	5.6
133.10153	6.3
135.08051	1.8
135.11691	52.0
139.07523	3.0
145.08971	1.8
145.10117	28.4
147.11707	3.3
149.13261	2.4
150.29703	1.0
159.11717	2.4
161.13289	2.3
163.11177	59.6
164.11554	1.1
173.13226	2.4
175.14745	1.5
181.12181	8.8
188.27473	1.1
226.44576	1.1
227.12766	78.6
243.21074	2.5
261.22134	8.5
283.15387	100.0
284.15674	2.3
317.24802	2.5
335.25800	95.8
336.26038	3.1
431.86081	1.0
543.36829	89.6
544.37415	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	741.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
63.02384	0.4
70.13917	1.2
71.50655	0.5
89.03915	8.0
91.05495	0.5
117.03379	21.9
119.04926	0.7
121.02865	2.9
124.06104	0.4
131.04904	0.9
134.03618	1.4
135.04414	1.5
145.02844	63.1
146.03203	1.4
149.05978	7.5
159.04408	0.8
163.03891	1.2
175.07542	0.8
177.05463	100.0
178.05809	2.5
186.05534	1.3
189.01825	0.5
201.05434	0.9
203.03340	1.2
205.05003	0.7
207.02898	0.4
208.03860	0.5
219.06512	1.4
231.06494	0.6
233.07997	0.7
261.07510	1.0
271.06140	0.5
281.07797	0.7
283.06012	3.3
284.06366	0.5
294.05109	1.4
295.05991	5.1
297.07462	1.0
307.06067	5.6
308.06613	1.5
309.04031	0.5
309.07526	1.6
313.07169	2.9
319.06000	0.9
320.06732	0.7
321.07187	3.9
322.08109	0.6
323.09259	0.5
325.07117	3.2
325.64307	0.5
333.07440	1.8
335.09036	0.8
337.07077	6.2
339.10785	11.3
345.07504	0.8
349.06998	4.9
351.08517	1.4
355.08084	0.7
361.07056	3.1
363.08502	1.5
367.07971	3.2
373.06949	1.3
379.08139	4.1
385.09088	3.3
391.08136	3.9
403.08081	1.3
409.09152	2.1
416.74481	0.5
420.19952	0.6
421.09225	0.7
427.10107	2.5
433.08835	0.9
455.10858	1.2
475.11429	0.7
481.11206	1.8
499.12625	0.8
501.11353	1.7
502.02194	0.4
511.12128	1.7
513.11707	0.9
529.12891	1.6
531.12592	1.2
539.11951	0.6
547.14471	1.0
555.12909	2.6
567.12567	1.0
585.13922	4.2
603.15100	2.7
609.15918	0.7
621.07129	0.6
621.16101	9.0
633.15387	1.0
651.17188	4.9
657.15686	0.7
675.17120	10.9
687.16193	1.6
705.06677	0.6
705.17950	5.9
706.19110	0.7
723.19318	2.6
723.37854	0.5
741.27466	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	741.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01029	0.4
55.05511	1.2
56.05034	3.2
57.03432	0.4
60.04524	4.1
63.82644	0.3
68.05034	0.7
70.06594	100.0
70.18172	0.7
71.06928	0.9
72.08159	18.6
72.82595	0.3
74.06081	14.5
74.09035	0.3
83.06081	0.5
84.04506	1.1
84.08146	11.4
85.07691	0.3
86.09724	0.5
87.05560	0.4
96.08153	0.3
98.06055	13.0
98.22717	0.3
100.07611	0.3
101.10782	0.7
102.05532	3.4
110.06052	5.0
110.28828	0.3
112.03971	4.5
113.07132	0.8
114.06458	0.3
116.07110	1.1
126.05518	9.9
127.08675	4.0
129.06654	0.7
129.10243	10.7
129.11183	0.6
130.05011	3.1
130.08644	12.1
131.08153	0.4
137.07138	0.4
141.54869	0.4
145.09723	3.6
147.11290	15.5
151.12312	0.4
153.06625	1.0
153.10265	1.0
155.08154	8.5
163.08766	0.4
167.11798	3.7
169.13370	21.1
170.13632	0.4
171.11256	1.6
173.09253	1.3
177.62851	0.3
181.09683	1.7
183.07657	13.9
195.11278	6.2
196.10802	0.5
197.12843	7.2
197.14606	0.5
199.10808	0.6
201.08723	3.2
209.09190	0.7
215.13948	5.5
215.15889	0.5
224.14079	0.9
226.11871	0.4
228.17201	1.0
236.10397	0.4
238.11957	0.9
246.18132	5.7
256.13010	1.5
256.16586	0.8
258.10989	1.4
265.18945	0.4
266.11346	2.3
266.18613	1.6
274.13998	0.7
278.14862	0.4
284.12424	7.8
294.18155	5.1
296.16113	0.3
302.13602	1.4
307.59506	0.3
311.21045	0.4
312.19183	5.5
321.15668	0.4
325.22412	0.6
343.23392	8.4
344.23621	0.4
381.17691	1.6
422.27679	1.8
440.28690	28.0
441.29089	1.1
496.24078	0.3
504.68021	0.4
541.33374	1.2
610.80774	0.3
697.38721	1.3
705.40277	0.4
723.40381	3.1
741.41388	86.7
742.41473	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.01880	3.0
55.05513	12.9
57.03439	13.5
57.07072	2.0
61.02929	2.4
65.03940	1.5
65.23859	1.0
67.05506	55.2
69.03434	1.4
69.07071	19.5
69.60755	3.7
69.61098	1.2
71.04994	4.7
73.06561	1.0
78.93536	1.0
79.05495	32.6
81.03465	1.3
81.07057	92.3
81.21737	1.0
82.07384	1.2
83.04993	6.6
83.08626	9.8
85.02910	4.2
85.06560	3.9
90.70062	1.1
91.05478	27.7
91.18134	1.0
93.07048	36.2
95.04956	5.1
95.08607	42.1
97.02902	1.7
97.06532	8.9
97.10159	2.7
99.04537	1.4
99.08111	3.5
105.03395	1.9
105.04528	2.0
105.07030	38.1
107.04858	1.0
107.08591	23.7
109.06523	5.5
109.10152	12.3
111.08121	1.6
113.05997	1.7
117.07016	4.5
119.08578	27.4
121.10146	28.4
121.10988	2.2
123.08082	4.2
123.11703	29.9
127.07533	2.4
129.07072	1.2
131.08554	7.6
133.10133	9.7
135.11664	7.5
137.09613	1.8
137.13252	4.1
137.59697	1.0
145.10115	5.1
147.11690	60.0
148.12038	1.3
149.05997	1.7
149.13268	5.2
157.10155	2.8
159.11697	3.9
161.13297	2.4
163.14870	3.0
165.12755	25.9
173.13292	4.1
175.11220	2.5
175.14786	1.3
177.16493	1.6
183.13797	3.5
187.14819	1.8
193.12257	2.5
229.14334	5.7
243.21059	5.9
261.22153	20.2
267.15909	83.8
268.16092	1.5
279.23248	2.9
285.16974	100.0
286.17307	2.0
317.24756	2.6
335.25800	91.9
336.26224	3.1
353.26767	4.0
453.33640	2.3
471.34686	1.7
527.37567	8.0
545.38385	71.2
546.38489	4.2
563.39294	3.2
579.13129	1.2
624.57501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01872	3.6
55.05512	17.9
57.03439	11.6
57.07066	2.6
59.04996	1.3
61.02929	2.2
61.54497	1.2
65.03930	1.9
67.05502	61.6
69.03448	2.3
69.07066	20.6
69.73316	4.6
70.89535	1.2
71.04992	3.9
73.06553	1.1
77.03919	1.7
79.05494	40.1
81.03417	3.9
81.07056	100.0
83.04968	9.1
83.08617	10.8
85.02906	3.9
85.06535	6.0
91.05482	34.5
93.07041	39.5
95.04991	6.6
95.08602	47.0
97.02890	2.0
97.06531	7.2
97.10155	2.2
98.23378	1.4
99.08126	2.8
101.06033	1.5
105.04536	2.6
105.07026	42.7
107.04987	1.5
107.08587	24.5
107.09267	2.2
109.06522	4.9
109.10156	12.9
111.08096	2.4
113.05985	1.6
113.92543	1.5
117.07015	3.5
119.08578	29.4
121.10148	33.1
123.08070	4.5
123.11703	29.6
123.12527	2.4
127.07585	4.1
129.07069	2.0
129.98866	1.2
131.08577	6.5
133.10117	6.5
135.11707	10.2
137.09657	1.6
137.13280	4.2
145.10167	4.4
147.11678	66.5
148.11983	1.9
149.09677	1.4
149.13254	3.9
157.10136	1.8
159.11676	3.4
161.13255	1.9
163.14890	1.5
163.23491	1.3
165.12755	23.4
173.13300	3.6
175.11206	2.8
175.14812	2.1
183.13869	2.9
184.72517	1.3
193.12315	1.4
229.14293	7.0
243.21071	3.4
261.22107	16.0
267.15906	83.0
279.23212	1.7
285.16943	75.7
286.17191	1.2
317.24725	4.0
335.25790	93.7
336.26160	3.2
336.78110	1.3
353.26938	1.4
471.34702	1.6
506.55737	1.5
527.37390	10.9
545.38330	78.9
546.38574	3.0
563.39124	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.05510	1.2
56.86124	0.5
57.03442	1.6
61.02932	3.3
61.96879	0.5
63.11786	0.5
63.31026	0.5
67.05514	3.8
69.03436	2.2
69.11658	3.0
69.40511	0.5
71.04979	0.7
73.02923	3.2
73.98979	0.5
79.05509	3.4
81.03423	1.4
81.07061	2.9
83.04990	0.9
83.08608	0.6
85.02917	3.6
91.03967	2.4
91.05490	2.7
93.07037	4.3
95.04978	1.0
95.08606	2.8
97.02896	2.6
99.04510	0.7
101.02412	1.5
105.07053	1.9
107.08614	1.9
109.02913	0.8
109.10155	1.1
119.08616	1.1
121.10118	0.8
127.03907	1.0
135.11635	0.8
145.10150	0.8
147.11720	1.4
171.11739	0.6
178.89157	0.5
243.08423	1.2
247.13121	0.8
384.14993	0.5
465.20926	6.3
472.01520	0.6
519.29425	3.5
743.43396	100.0
744.43927	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	744.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01876	4.9
55.05513	10.3
57.03437	7.4
59.04985	0.9
61.02928	8.5
67.05506	38.7
69.03420	4.2
69.06709	1.6
69.07068	17.2
70.06595	11.3
71.04990	3.4
72.08134	3.2
73.02905	4.0
79.05500	21.2
81.03415	4.3
81.07059	51.0
83.04977	3.8
83.08620	13.1
83.09111	1.4
84.04501	1.3
84.08144	2.5
85.02901	11.9
85.06537	2.2
86.09709	3.5
91.03955	9.5
91.05485	21.0
93.07045	31.7
95.04982	5.7
95.08605	18.5
97.02908	7.5
97.06543	8.8
97.10189	4.3
99.04444	2.2
99.08092	3.2
103.03933	1.8
105.07032	15.6
107.04977	5.1
107.08591	18.8
108.08835	1.0
109.02859	1.4
109.06537	7.5
109.10161	14.2
111.08112	4.4
113.09605	0.8
117.07024	8.2
118.06924	1.0
119.04950	1.2
119.08579	12.3
120.08067	1.4
121.06489	3.2
121.10149	9.9
123.08073	2.5
123.11662	5.1
125.09637	2.6
127.03911	4.2
129.06996	2.9
129.10191	1.0
129.15070	1.0
131.08566	11.9
133.10133	17.4
135.08069	2.0
135.11699	9.8
137.09616	2.8
139.11208	1.3
143.08583	2.3
145.02931	1.0
145.04958	3.5
145.10117	8.8
147.04407	1.1
147.11671	8.7
149.09633	8.8
149.13263	16.6
151.11192	3.2
155.10751	0.9
157.10075	2.0
159.11707	20.1
161.09717	1.0
161.13274	3.7
163.06049	5.1
163.11203	3.9
165.12750	1.7
169.10014	1.6
171.10196	1.3
171.11671	2.1
173.11713	3.6
173.13231	3.9
177.12753	17.9
179.14275	5.1
183.11568	1.0
183.84517	0.9
189.11163	1.1
193.12279	1.0
195.13765	6.2
201.12785	0.9
213.14774	1.3
215.17897	1.1
229.14369	14.3
229.19475	2.0
239.17935	2.5
251.16310	5.2
257.18988	4.3
269.17477	100.0
270.17896	3.1
275.20032	19.7
286.17526	1.3
293.21115	2.7
319.44086	0.9
331.22659	1.3
346.25150	1.0
349.23746	69.1
350.24109	3.1
367.24799	64.4
368.25165	1.6
377.19470	1.2
395.20844	1.4
413.21649	7.1
431.22794	4.9
457.25610	1.0
493.27548	2.2
511.28912	3.8
529.30206	5.4
744.40161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.05507	1.0
57.03443	1.4
61.02926	3.5
67.05496	3.7
69.03425	2.8
69.07078	1.1
69.29892	1.9
71.04979	0.6
73.02917	2.4
74.25256	0.3
74.38300	0.3
79.05490	3.5
81.03416	1.5
81.03851	0.3
81.07055	3.6
83.08632	0.6
85.02905	3.3
87.04477	0.5
91.03950	2.5
91.05468	1.9
93.07051	4.3
95.04967	0.5
95.08602	3.7
97.02892	3.2
97.10222	0.6
98.23526	0.7
99.04440	0.8
101.02393	1.5
105.07054	1.0
107.04983	0.5
107.08597	2.0
109.02887	0.7
109.10171	1.2
113.60964	0.4
115.45361	0.4
117.06989	0.7
119.08606	1.0
121.06528	0.6
121.10179	1.4
127.03937	0.8
131.08626	0.5
133.10129	0.6
135.11679	3.1
135.49734	0.3
145.10143	1.9
147.11803	0.5
150.13605	0.3
163.11206	4.0
166.57861	0.3
181.12259	0.8
185.04222	0.9
201.16498	0.4
219.09901	0.6
227.12798	2.3
243.08411	2.8
249.10950	8.5
305.13721	1.6
313.52451	0.4
331.99121	0.4
335.25894	0.5
343.34976	0.4
398.40051	0.4
467.18878	11.1
519.29279	4.4
583.36261	0.4
676.45856	0.4
698.87531	0.4
714.63568	0.4
745.41241	100.0
746.41565	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60623	0.2
53.03945	0.6
55.01868	0.5
55.05294	0.2
55.05514	1.6
55.79470	0.2
57.03430	1.5
57.07074	0.3
57.24427	0.2
61.02928	5.5
63.01555	0.2
67.05505	4.9
69.03429	3.5
69.07064	1.2
71.01352	0.5
71.05009	0.7
73.02920	4.3
79.05493	3.7
81.03426	1.3
81.07061	4.9
81.60872	0.2
83.01383	0.4
83.04979	0.5
83.08623	0.5
85.02904	4.8
87.04471	0.7
91.03967	3.0
91.05477	1.9
93.07046	4.4
95.04976	0.8
95.08603	3.7
97.02890	4.4
97.06537	0.4
99.04459	0.8
101.02368	1.2
103.03949	0.3
105.04466	0.3
105.07025	1.2
107.08600	2.7
109.02890	0.7
109.06463	0.3
109.10141	1.3
115.03931	0.3
117.07048	0.4
119.08610	0.9
121.10139	1.4
123.11756	0.4
127.03905	1.1
129.05644	0.2
131.08597	0.7
133.10179	0.7
135.11696	1.8
145.10155	1.4
147.11694	0.3
149.13263	0.3
161.13313	0.3
161.31087	0.2
163.11177	1.8
173.13261	0.2
177.11476	0.2
181.12207	0.2
185.04256	0.4
199.44031	0.2
202.70291	0.3
227.12840	1.4
243.08379	2.4
249.10989	12.4
261.22397	0.4
267.34241	0.3
305.13657	0.9
335.25974	0.9
340.95724	0.2
358.73868	0.2
380.57553	0.2
467.18903	4.5
504.37656	0.4
519.29279	7.2
520.29865	0.4
583.36023	0.4
745.41272	100.0
746.41595	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	746.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.05509	3.9
55.85552	0.8
56.05043	4.6
57.03442	12.2
57.03698	1.2
57.27025	0.7
58.06611	0.9
65.03946	2.5
67.05502	10.0
69.03436	0.7
69.07068	7.8
69.23159	1.2
69.23566	3.4
70.06595	5.2
71.05003	2.0
72.04521	3.1
72.08154	12.4
72.08521	1.1
73.06631	0.8
79.05497	7.9
81.03435	2.7
81.07052	14.6
81.07487	1.1
83.08638	1.0
84.08166	2.1
85.02915	1.8
85.06567	1.1
86.09743	1.7
91.05481	47.1
93.07037	6.2
95.04998	2.1
95.08596	10.3
97.06538	10.0
97.10226	0.7
98.09695	49.8
98.22694	1.6
99.08094	8.2
100.23175	0.9
102.09196	1.3
103.05499	0.9
105.07024	5.9
106.79494	0.8
107.04978	1.1
107.08628	2.6
109.02885	1.3
109.10164	1.9
110.06409	0.7
110.07201	0.7
111.08109	2.0
113.09676	3.0
115.05456	6.0
115.07600	0.9
117.07021	43.9
119.04932	13.1
119.05702	0.9
119.08575	1.1
121.10178	2.2
123.11776	0.8
123.27741	0.9
124.11249	1.9
125.09642	1.6
127.03909	1.0
128.06226	3.6
129.07008	17.6
129.07968	1.0
131.08578	13.5
133.10152	1.6
135.11728	2.0
141.06992	6.1
142.12265	16.6
143.08556	14.7
145.10172	1.9
147.04405	14.8
155.08591	2.6
156.13846	9.5
157.04051	2.5
157.10210	3.5
169.10187	1.9
171.11763	2.7
175.03905	29.4
181.10184	2.3
183.11742	1.7
185.13304	3.2
192.04205	0.8
197.13376	0.7
207.06525	46.2
342.27820	5.7
351.10767	1.9
360.28958	100.0
361.29297	4.0
369.11942	1.2
378.30057	10.6
588.38934	1.0
728.41101	1.7
741.77814	1.0
746.31006	6.8
746.41260	97.2
747.29810	1.6
747.42944	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	746.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
56.05042	2.1
57.03438	4.8
65.03945	1.5
67.05491	3.6
69.03434	1.0
69.07075	3.0
69.70102	1.2
69.70490	1.4
70.06590	6.5
71.05022	0.7
72.08165	8.6
79.05491	2.6
81.03424	2.7
81.07065	5.1
84.08127	0.9
85.02914	1.9
85.08926	0.7
91.05482	18.5
93.07066	1.6
95.04967	0.9
95.08612	3.1
96.08152	0.8
97.06558	2.8
98.09695	23.5
98.10316	1.2
99.04469	0.8
99.08102	2.8
105.07043	0.7
107.04951	7.5
107.08586	1.2
108.08070	0.7
109.02895	1.4
109.10183	1.8
117.07037	4.8
119.04947	23.4
121.06487	0.9
121.10159	0.8
124.11256	1.2
125.09595	0.7
127.03951	0.9
127.70036	0.7
128.06238	0.9
129.03311	0.6
129.07054	2.4
131.08615	1.8
133.06499	4.4
142.12263	10.9
142.13211	0.9
143.08665	1.7
147.04408	20.6
147.08043	7.4
155.22121	0.6
157.03996	2.1
159.08055	0.8
161.09599	0.9
175.03909	47.6
176.04295	0.9
179.07057	1.3
207.06528	66.0
208.06897	1.0
242.55685	0.6
269.61551	0.7
300.40744	0.7
342.27878	1.1
351.10925	1.7
360.28934	11.9
369.12064	0.9
377.28815	0.8
378.30051	20.9
379.30185	0.9
510.82367	0.9
728.40320	1.8
735.49738	0.7
746.41089	100.0
747.31866	4.7
747.41595	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	747.32
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25378	0.6
56.96561	1.3
69.12379	0.6
70.06596	1.9
81.07058	0.8
85.75648	0.5
91.05497	1.2
98.09707	1.4
98.97590	1.7
99.04466	0.6
107.04976	1.1
109.02896	0.6
110.97601	0.9
114.25222	0.5
116.98625	1.1
119.04951	2.0
128.98611	1.3
131.00188	2.2
137.33859	0.5
142.12302	0.7
143.00221	0.7
147.04434	1.5
149.01207	3.7
158.99698	1.7
170.99675	1.0
173.01176	0.7
175.03893	3.0
176.04306	0.7
177.00780	1.0
181.09854	0.6
185.01363	0.5
189.00705	0.9
191.02234	1.1
207.06519	5.2
208.06908	1.6
217.03812	0.7
237.02773	0.6
261.02795	0.7
279.03995	1.1
293.05527	2.8
311.06570	1.3
349.16934	1.2
379.30383	0.7
455.10696	9.6
676.27124	0.6
678.24066	1.7
729.29724	0.6
746.41022	1.4
747.31720	100.0
748.31982	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	747.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37914	0.7
52.86559	0.6
57.09110	0.7
67.05499	1.2
70.06575	3.5
70.35321	1.2
70.35672	0.9
72.08132	2.0
75.05164	0.8
81.07037	1.0
84.08154	0.9
85.02887	1.2
91.05469	3.9
93.07072	0.8
95.08627	1.8
97.06540	1.1
98.09693	5.0
109.10156	0.7
116.98583	0.9
117.07040	1.2
118.07346	0.9
119.04934	4.4
127.03886	0.8
133.37312	0.7
142.12256	2.1
147.04381	3.1
148.04755	1.4
149.01248	1.9
158.99658	0.8
175.03957	5.6
176.04247	1.3
177.00748	0.8
184.36971	0.7
187.89351	0.7
207.06540	7.6
208.06885	2.2
293.05264	1.2
360.29013	2.7
361.29565	1.2
378.29703	1.1
379.30334	1.0
455.10690	3.6
457.86429	0.8
519.11804	0.8
581.24359	0.8
661.24182	1.0
746.40564	3.1
747.31543	100.0
748.31726	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	747.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63844	0.2
55.05505	0.6
60.04540	0.2
68.05037	0.4
69.03436	0.5
69.94569	0.4
69.94906	0.5
70.06592	100.0
71.06924	0.7
72.08155	6.0
84.04514	1.0
84.08143	1.8
85.02911	1.1
86.09702	2.7
91.05555	0.3
92.21006	0.3
95.04993	0.4
97.02926	0.3
98.06053	19.9
99.00853	0.4
99.06380	0.3
102.05537	0.4
103.05520	0.3
116.07110	0.6
119.04958	0.5
120.08021	0.3
123.04467	0.7
126.05518	16.7
127.03923	0.4
127.08689	4.3
129.10263	1.0
135.04382	0.4
136.07616	0.5
139.08664	0.4
145.05019	0.5
147.04424	0.3
149.05963	0.4
151.12317	0.8
153.05525	0.8
154.05913	0.3
155.08147	4.3
156.67010	0.3
157.09723	1.3
163.03960	0.7
164.04276	0.3
165.06989	0.4
165.10272	0.4
167.08217	0.4
167.11789	5.6
167.93314	0.3
169.13374	2.4
176.04448	0.2
177.10353	0.3
179.11946	0.3
181.13423	1.2
183.08006	0.5
184.08357	0.4
185.09221	0.5
189.08928	0.3
193.12190	0.6
195.11302	8.6
197.05894	0.3
197.13051	0.6
198.06392	0.3
199.18192	0.4
203.10262	18.2
207.06593	1.0
208.06865	0.5
209.12964	0.8
211.07571	0.5
212.07901	0.5
213.12428	0.4
224.13983	0.4
225.07588	0.4
226.15561	0.6
227.17480	0.6
229.08727	0.5
230.08809	0.3
237.12244	0.2
241.05119	0.3
252.13383	2.0
254.15012	2.3
257.08157	1.4
258.08481	0.8
262.14328	0.3
264.07404	0.4
266.18552	0.4
274.08267	1.7
275.08795	1.2
281.08005	0.3
282.14453	1.5
289.10699	4.6
290.11023	4.3
300.15536	15.2
301.16064	0.3
309.07611	0.8
310.08109	0.6
323.20764	1.5
341.10358	1.1
342.10703	1.1
349.18832	0.6
351.20294	4.8
351.24274	0.4
366.68341	0.3
369.09760	1.0
370.10239	1.6
374.22888	0.3
379.19843	0.4
387.10754	1.0
388.11075	1.9
397.20816	14.0
398.21155	0.6
405.11606	0.4
406.12433	0.6
420.25912	0.7
448.25549	4.2
454.31851	0.3
494.26093	14.3
495.26263	0.3
545.31018	1.2
591.31348	28.9
592.31763	1.3
648.33716	1.0
669.72156	0.3
699.52325	0.3
747.40424	14.7
748.40930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	0.4
69.61133	0.9
69.61522	0.7
70.06586	1.2
75.80397	0.4
92.41457	0.4
109.77262	0.5
148.44354	0.4
153.88779	0.4
301.61069	0.4
303.12161	1.4
333.20386	2.1
355.18506	0.4
437.19348	100.0
438.19720	3.9
697.29211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36218	0.3
53.03934	0.4
55.05510	1.5
55.72054	0.4
57.03435	1.6
57.07084	0.6
61.02925	4.9
62.08170	0.4
67.05500	3.9
67.90865	0.4
69.03426	3.0
69.07071	1.1
71.01354	0.5
71.05027	0.7
71.45449	0.4
73.02915	3.5
79.05491	2.9
81.03426	1.9
81.07059	5.7
83.08630	0.8
85.02899	5.1
89.06055	0.6
91.03947	3.7
91.05463	2.1
93.07053	3.3
95.04980	0.7
95.08596	3.6
97.02884	4.1
99.04481	1.2
101.02404	1.3
103.03972	0.5
105.07040	1.7
107.08617	1.8
109.02883	0.7
109.10195	1.6
119.08596	1.7
119.23261	0.4
121.10166	1.8
123.11754	1.3
127.03938	1.2
131.08609	0.4
133.10095	0.9
135.11694	0.7
140.85564	0.4
142.12717	0.4
147.11638	2.0
165.12750	0.6
185.04214	0.8
188.25159	0.4
243.08408	1.1
251.12685	1.4
267.16364	0.5
335.25851	1.1
358.85315	0.5
469.20392	4.6
519.29309	6.2
536.15948	0.5
747.42798	100.0
748.43005	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	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
57.03434	2.0
61.02927	5.4
67.05507	3.9
69.03434	3.9
69.07070	1.3
70.69635	0.6
71.01357	0.5
71.05006	0.6
73.02921	5.3
79.05494	2.9
81.03423	1.2
81.07069	6.1
85.02914	4.4
85.06583	0.7
91.03957	3.2
91.05487	2.6
93.07047	3.8
95.04990	0.7
95.08631	2.8
97.02895	4.8
97.06555	0.7
99.04452	1.0
101.02402	2.0
103.03956	0.6
105.07051	2.3
106.57052	0.5
107.08630	2.1
109.10190	1.3
119.08603	1.3
121.10161	2.2
123.08089	0.6
123.11729	1.2
125.71018	0.7
127.03932	1.4
131.08545	0.7
145.05005	0.6
147.11700	2.9
161.13274	0.6
165.12759	0.9
185.04318	0.6
193.28270	0.5
243.08510	1.4
251.12592	1.1
335.25821	0.6
425.21097	0.8
469.20380	8.4
519.29144	4.8
620.62482	0.6
703.81769	0.6
747.42883	100.0
748.43146	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	749.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53775	0.6
55.05478	1.1
57.03437	1.5
57.69970	0.7
61.02924	4.3
63.77044	0.5
67.05511	5.2
67.25225	0.6
69.03439	2.3
69.07067	1.4
69.37066	1.3
69.37479	1.6
71.04991	1.9
73.02935	3.4
79.05505	2.5
81.03413	0.7
81.07055	3.9
83.05019	0.7
83.66082	0.6
83.86648	0.5
85.02923	4.4
87.04501	0.6
91.03960	2.7
91.05486	1.9
93.07045	3.6
95.08627	2.0
97.02899	3.4
97.06537	1.0
98.22711	1.1
99.04510	0.8
101.02385	1.0
105.07042	1.1
107.08596	1.5
109.10184	2.2
117.07028	0.6
119.08607	1.3
121.10109	1.1
121.86308	0.6
127.03958	1.4
135.11707	1.5
145.10168	0.7
150.95605	1.0
189.65048	0.6
243.08459	1.3
253.97417	0.6
291.02051	0.6
295.38190	0.6
325.02530	0.6
335.26062	1.5
365.92944	0.7
406.48260	0.6
471.21921	5.2
477.45700	0.7
519.29248	4.6
748.41675	0.6
749.44342	100.0
750.44879	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	754.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
55.05504	24.6
57.03434	11.0
60.71568	3.8
63.06848	3.7
66.64373	3.7
67.05161	5.4
67.05502	71.9
69.03406	4.4
69.07060	21.0
70.06606	5.6
71.04981	7.1
73.09693	3.3
73.34392	3.9
79.05493	100.0
81.03407	4.5
81.07056	71.0
83.04980	17.1
83.08614	12.6
91.05482	94.7
93.07042	94.6
95.04953	30.9
95.08613	45.8
97.06526	7.7
97.10171	5.5
105.07026	77.8
107.04948	6.2
107.08602	37.0
109.06507	7.7
109.10152	10.6
111.08060	3.9
117.07028	22.9
119.08582	58.6
121.06517	5.7
121.10136	17.0
123.08080	7.0
129.07010	21.9
131.08545	25.6
133.10112	46.7
135.11696	17.2
143.08617	13.8
145.10153	24.9
147.11681	65.5
149.13280	9.6
156.09413	4.3
157.10143	10.9
159.11722	20.4
161.13260	32.9
163.14780	4.6
169.10103	5.4
171.11678	33.9
173.13321	13.8
175.14835	14.8
185.13280	11.1
187.14801	4.7
189.12740	11.6
199.14896	6.7
207.13824	26.5
213.16528	5.1
231.20958	5.5
241.19530	31.0
255.19611	4.2
259.20581	69.7
260.23709	4.0
279.15900	19.8
281.17484	80.9
290.51788	4.2
315.22913	4.4
333.24350	50.1
357.14703	3.9
385.77237	4.1
439.32516	3.7
447.32532	9.0
455.69720	4.1
465.33463	7.9
483.34500	6.5
539.37280	97.8
540.37476	7.0
557.38373	40.7
732.07538	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	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01865	2.8
55.05520	17.6
55.15841	2.0
57.03442	9.0
57.07073	3.2
65.03933	2.1
67.05508	31.0
69.07065	14.8
71.04993	4.6
79.05491	41.7
81.07055	37.3
83.04973	5.9
83.08620	12.7
86.09737	2.6
86.82745	2.1
91.05476	42.2
93.07044	58.8
95.04987	12.4
95.08608	49.5
97.06544	4.7
99.04465	2.3
105.04553	2.4
105.07027	42.3
107.04962	8.2
107.08591	38.8
107.09261	3.7
109.06519	3.3
109.10167	8.7
111.08085	2.5
117.07018	14.8
119.08589	38.4
121.06528	7.3
121.10136	20.3
122.11001	2.3
129.07014	6.3
131.08586	11.3
133.10135	32.5
135.11685	49.7
135.12656	4.0
143.08560	5.3
145.10133	36.2
147.11687	23.5
149.13298	7.4
152.51874	2.5
157.10168	5.1
159.11693	8.8
161.13258	17.8
163.11185	51.8
171.11688	7.0
173.13261	7.5
175.14832	5.8
181.12218	10.4
184.07347	4.0
185.13307	5.7
199.14764	2.9
213.16371	2.3
227.12779	70.7
231.20998	4.8
241.19539	18.7
256.97171	2.2
257.69525	2.1
259.20599	64.7
260.20972	3.9
262.25391	2.8
275.20148	2.4
283.15396	73.7
315.23111	8.2
333.24240	100.0
334.24582	3.9
468.19022	2.5
476.88571	2.5
541.35254	55.0
559.36078	12.4
613.40430	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.1
57.07073	5.8
67.05500	11.0
69.07065	21.2
70.72125	2.0
71.08621	4.6
76.93764	1.9
79.05494	5.5
80.05031	2.9
81.07050	9.4
82.06595	3.2
83.08613	17.3
84.99486	1.8
85.10188	3.1
91.05473	8.3
93.07047	8.3
94.06557	19.2
95.04974	2.5
95.07358	2.6
95.08614	5.9
96.20448	2.0
97.10174	20.5
105.07027	4.6
107.08576	3.8
108.08197	2.2
109.10176	2.4
111.11714	8.9
119.08571	4.6
121.10165	4.8
122.09650	3.2
125.13252	5.8
133.10143	2.7
135.11644	3.0
139.14827	3.3
140.97499	1.9
147.11700	3.7
212.81145	1.7
233.22647	3.5
245.22517	2.9
250.25285	7.1
262.25299	100.0
263.25720	2.1
269.24771	2.9
273.82794	1.9
280.26358	6.2
297.24313	2.1
397.24384	2.2
498.46713	3.1
546.48822	5.8
558.49054	11.2
560.50134	3.1
576.50055	16.0
738.54932	4.2
762.49774	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20470	2.0
55.05517	9.5
56.05042	2.8
57.07077	9.7
67.05500	7.2
69.07069	22.6
69.12952	16.2
71.08636	4.1
79.05511	6.2
80.05051	2.9
81.07063	8.2
82.06576	2.7
83.08614	16.7
85.10187	2.3
91.05494	5.5
93.07051	8.1
94.06574	11.0
95.07378	2.6
95.08607	8.5
96.08116	2.5
97.10168	24.2
105.07053	4.1
107.08626	2.9
109.10193	3.7
111.11715	11.6
119.08623	5.8
121.10139	5.4
122.09738	2.8
125.13265	5.4
154.16176	2.6
161.76231	2.2
163.69321	2.4
170.82997	2.4
207.81654	2.2
215.63245	2.6
224.67819	2.3
238.27859	2.4
245.22668	4.1
250.25374	9.2
262.25311	100.0
263.25699	2.8
280.26239	6.3
341.74576	2.4
461.87262	2.4
495.29614	2.5
546.48651	3.7
558.48615	8.8
560.50311	4.4
576.50189	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01868	9.6
55.05514	17.4
57.03435	13.0
57.07070	2.6
60.55433	1.1
61.02914	4.7
65.03932	5.2
67.05501	81.6
69.03426	3.9
69.07063	19.4
71.04968	2.9
73.02916	1.6
77.03916	2.2
79.05490	62.8
80.51336	1.5
81.03414	9.7
81.07053	75.0
83.04976	19.4
83.08622	7.4
85.02888	4.7
85.06536	5.6
86.09725	1.9
89.60190	1.1
91.03943	1.8
91.05470	38.6
93.07043	71.0
95.01308	2.8
95.04964	20.2
95.08601	45.7
97.02887	2.1
97.06528	12.6
97.10181	1.7
99.04450	3.6
99.08099	2.6
105.04511	4.0
105.07030	22.3
107.04250	2.2
107.04955	31.3
107.08583	33.5
109.02881	1.7
109.06524	5.9
109.10143	18.9
111.04436	23.2
111.08095	7.2
114.26520	1.3
117.07019	18.9
119.08567	26.2
121.06509	5.6
121.10142	49.5
123.04414	1.9
123.08057	4.1
123.11706	5.9
125.06012	2.9
129.06985	4.9
130.07747	2.3
131.04924	3.0
131.08556	23.3
133.09088	2.1
133.10123	11.8
135.08070	2.7
135.11694	38.5
137.13274	1.1
143.08536	3.6
145.06454	8.4
145.10120	41.8
147.08051	3.2
147.11676	8.8
149.09642	7.5
149.13261	4.4
153.12714	9.6
155.08540	9.8
157.10150	2.0
159.11687	7.1
161.13246	3.9
163.11176	40.5
163.14812	3.6
164.11501	1.3
165.12752	1.6
171.11708	3.2
173.09608	25.6
173.13271	5.6
175.14793	1.6
181.12230	17.7
184.07326	6.3
185.13326	1.6
187.14780	3.8
191.10651	19.8
209.11723	11.3
227.12769	17.2
241.19481	1.3
243.08481	1.5
243.21091	4.2
259.20316	1.6
261.22086	21.5
262.17960	11.7
265.14343	35.7
267.15884	2.3
279.23160	2.9
283.15393	85.9
288.68564	1.3
299.05997	1.8
301.16446	57.8
317.24698	5.2
335.25787	100.0
336.26071	5.7
361.23846	1.8
433.31024	2.4
445.70474	1.4
451.32251	5.9
465.20819	2.4
469.33435	3.1
515.37341	12.4
521.33362	1.3
525.35754	14.5
543.36798	67.0
544.36987	4.5
561.37823	92.0
562.38062	5.4
579.38843	1.6
758.48169	9.6
759.42688	23.8
760.66608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01868	8.0
55.05510	15.3
57.03445	11.3
61.02914	3.2
65.03944	2.9
66.28695	1.4
67.05505	61.9
69.03426	5.9
69.07066	18.1
69.66961	5.7
71.04990	4.0
73.02934	1.3
77.03915	1.7
79.05495	44.3
81.03412	6.0
81.07057	52.1
83.04981	20.7
83.08639	9.2
85.02895	5.4
85.06528	4.1
86.09727	7.2
86.10172	1.2
91.03947	1.2
91.05458	23.0
93.07047	57.7
95.04965	8.4
95.08015	2.6
95.08601	36.9
97.02882	3.8
97.06531	10.2
97.10152	4.6
99.04477	3.1
105.07018	14.9
107.04968	7.3
107.08596	25.4
109.06504	2.5
109.10162	21.8
111.04446	33.2
111.08091	13.5
111.11743	1.4
116.83736	1.2
117.06992	8.2
119.08572	17.2
121.06503	4.4
121.10143	35.3
123.08049	3.3
123.11683	4.8
124.99966	4.0
125.05975	2.6
125.09630	2.2
129.05499	1.3
129.07010	4.1
130.43947	1.5
131.08571	14.2
133.10138	10.1
135.11693	31.1
137.09595	2.2
139.11166	4.9
143.08504	1.9
145.06441	1.8
145.10121	20.7
147.08040	1.8
147.11702	7.5
149.09590	4.3
149.13229	5.3
153.12744	19.6
155.08525	3.3
157.10127	2.3
159.11641	4.2
161.13269	2.6
163.11182	32.5
163.14810	2.0
173.09595	8.2
173.13245	3.5
181.12233	26.3
184.07361	19.7
187.14793	2.3
191.10669	21.1
209.11710	12.8
227.12773	27.5
241.19426	1.4
243.21141	2.8
245.13866	9.2
261.22134	12.6
262.18045	2.1
283.15405	62.2
284.15631	1.9
299.05948	1.7
301.16452	65.3
302.16757	1.4
317.24762	2.1
335.25800	92.8
336.26068	4.7
433.31180	2.0
451.31781	2.1
487.33698	1.7
525.35852	3.6
543.36853	30.4
544.37262	2.0
561.37866	100.0
562.38464	7.3
668.40009	2.2
758.44989	2.1
759.42017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.2
57.03400	0.3
61.02889	0.2
62.50443	0.1
67.05463	0.6
69.03387	0.2
69.07032	0.3
69.07365	0.2
69.55432	0.6
70.06579	0.2
71.04972	0.3
73.02853	0.1
79.05447	0.5
81.03381	0.2
81.07047	0.6
85.02869	0.2
86.09678	0.2
91.03878	0.2
91.05404	0.4
93.07001	0.5
95.04935	0.1
95.08552	0.4
97.02860	0.1
104.10690	0.3
105.07024	0.3
107.08572	0.4
109.10115	0.2
112.07555	0.5
117.05691	0.2
117.07011	0.2
118.06530	0.3
119.08535	0.4
121.10067	0.3
131.08578	0.2
132.07129	0.3
132.08083	4.1
133.08873	15.4
134.09697	1.3
139.43629	0.1
145.10086	0.2
146.09639	4.3
147.10498	0.7
147.11464	0.2
149.13284	0.2
159.11635	0.1
160.11197	0.7
174.12724	0.2
184.07352	0.7
188.14337	0.3
216.17438	0.2
232.16942	1.4
244.16978	1.9
260.20145	0.3
262.18011	100.0
263.18356	3.3
269.17410	0.5
272.20142	0.4
275.20084	0.2
288.19647	0.4
299.06351	0.2
302.21146	2.7
303.21652	0.2
318.20627	4.9
319.21017	0.2
349.23453	0.2
403.11600	0.1
480.25903	5.8
481.26413	0.3
525.35754	0.2
543.37048	0.6
552.27661	0.2
596.43115	3.2
758.48334	70.4
759.48743	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	758.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.4
61.02911	0.2
67.05463	0.6
69.03378	0.2
69.07036	0.4
71.45467	0.2
77.54781	0.2
79.05476	0.4
81.07014	0.8
83.08585	0.3
85.02866	0.3
86.09673	0.3
91.03929	0.2
91.05409	0.4
92.74984	0.2
93.07015	0.5
95.04932	0.3
95.08569	0.5
105.07011	0.4
107.08593	0.3
117.06992	0.2
118.06493	0.4
119.08560	0.4
121.10117	0.3
132.07140	0.3
132.08083	5.2
133.08871	17.9
134.09669	1.6
135.11549	0.2
143.30965	0.2
145.10068	0.2
146.09641	4.2
147.10381	0.7
160.11177	0.7
162.93057	0.2
184.07359	0.7
202.15901	0.3
219.61685	0.2
232.16940	1.7
244.16936	2.0
245.90863	0.2
260.20224	0.4
262.18015	100.0
263.18338	2.9
269.17444	0.2
275.20209	0.3
299.06146	0.4
302.21121	1.7
318.20599	4.4
355.84479	0.2
359.02905	0.2
480.25931	5.5
481.26462	0.5
543.36707	0.4
561.37451	0.3
596.43158	3.8
758.48346	73.8
759.48712	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01887	1.1
55.05511	16.8
57.03438	6.2
57.07076	2.1
59.04975	1.7
61.02916	4.6
65.03941	1.9
67.05503	66.1
69.03421	2.4
69.07067	15.1
71.04992	26.1
71.49257	1.2
79.05492	36.3
80.55228	1.1
81.03400	1.3
81.07055	100.0
83.04981	2.7
83.08614	7.9
85.02888	3.6
85.06535	7.1
86.09706	5.7
91.03947	2.2
91.05470	29.3
93.07043	41.8
95.04959	4.9
95.08601	30.8
97.02882	2.3
97.06536	5.7
97.10183	1.5
99.08114	1.4
105.07022	17.0
107.08595	25.7
109.06526	2.1
109.10148	12.2
111.08105	2.8
115.05394	1.1
117.07018	4.7
119.08584	8.8
121.10140	14.6
123.08052	1.4
123.11704	17.0
124.99982	3.6
129.19257	1.1
130.97707	1.2
131.08569	9.2
133.10117	18.6
133.42531	1.1
135.11691	11.5
145.10120	6.4
147.11673	3.6
149.13307	5.8
151.11163	7.0
153.12717	1.7
156.08109	1.1
157.10173	1.4
159.11697	7.6
161.13245	3.4
171.11604	1.3
173.13275	2.7
177.12711	2.0
183.13762	3.4
184.07344	15.7
187.13275	5.8
187.14772	1.5
195.13773	3.3
227.16423	2.8
257.17484	2.4
261.22073	2.9
266.43140	1.2
269.17508	5.4
291.19479	1.2
301.20074	22.8
305.78497	1.2
335.25833	21.7
393.31360	1.8
411.32645	3.0
453.69122	1.1
455.34836	1.9
485.35889	2.9
503.37289	88.9
504.37500	3.5
517.38708	4.0
529.38892	15.0
561.41492	88.2
562.41669	3.9
782.13348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01873	0.6
55.05513	1.8
57.03430	2.6
61.02929	4.2
67.05505	6.3
69.03436	2.6
69.07073	1.9
73.02917	2.7
79.05491	6.5
80.05771	0.5
81.03414	4.7
81.07062	6.7
83.04981	0.8
83.08625	1.4
85.02912	3.6
85.07387	0.5
86.09711	1.4
91.03951	2.3
91.05466	5.4
92.61530	0.5
93.07044	8.0
95.04969	3.2
95.08591	4.6
97.02903	2.7
97.06505	0.8
98.22604	1.0
99.04431	0.5
101.02383	1.2
104.10744	2.5
105.04503	0.6
105.07036	4.4
107.08597	3.5
109.02888	0.9
109.10171	1.6
117.07034	0.8
119.08566	3.5
121.10177	3.3
125.00066	0.7
127.03927	1.3
129.07057	1.5
131.08595	1.5
133.08955	0.6
133.10138	2.7
135.11711	1.3
143.08621	0.8
145.10146	1.7
147.11714	2.4
157.10168	0.8
161.13313	1.5
171.11726	1.5
173.13271	0.8
175.11205	0.6
184.07370	3.8
185.04300	1.5
219.55356	0.6
222.43195	0.5
242.76894	0.5
243.08505	2.3
247.13124	1.2
261.22290	1.1
262.18051	2.3
263.18323	1.0
267.15924	3.5
299.06219	0.5
301.09021	0.7
315.10538	0.8
335.25842	3.9
453.33124	0.6
465.20953	8.7
495.22141	1.0
517.28076	0.8
518.31213	0.5
527.37012	2.6
535.28882	4.3
545.38428	2.8
551.24847	0.5
562.38562	0.6
565.26898	0.6
579.28192	0.5
645.02722	0.6
689.66345	0.5
759.42755	100.0
760.42834	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	759.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01873	0.6
55.05513	1.8
57.03430	2.6
61.02929	4.2
67.05505	6.3
69.03436	2.6
69.07073	1.9
73.02917	2.7
79.05491	6.5
80.05771	0.5
81.03414	4.7
81.07062	6.7
83.04981	0.8
83.08625	1.4
85.02912	3.6
85.07387	0.5
86.09711	1.4
91.03951	2.3
91.05466	5.4
92.61530	0.5
93.07044	8.0
95.04969	3.2
95.08591	4.6
97.02903	2.7
97.06505	0.8
98.22604	1.0
99.04431	0.5
101.02383	1.2
104.10744	2.5
105.04503	0.6
105.07036	4.4
107.08597	3.5
109.02888	0.9
109.10171	1.6
117.07034	0.8
119.08566	3.5
121.10177	3.3
125.00066	0.7
127.03927	1.3
129.07057	1.5
131.08595	1.5
133.08955	0.6
133.10138	2.7
135.11711	1.3
143.08621	0.8
145.10146	1.7
147.11714	2.4
157.10168	0.8
161.13313	1.5
171.11726	1.5
173.13271	0.8
175.11205	0.6
184.07370	3.8
185.04300	1.5
219.55356	0.6
222.43195	0.5
242.76894	0.5
243.08505	2.3
247.13124	1.2
261.22290	1.1
262.18051	2.3
263.18323	1.0
267.15924	3.5
299.06219	0.5
301.09021	0.7
315.10538	0.8
335.25842	3.9
453.33124	0.6
465.20953	8.7
495.22141	1.0
517.28076	0.8
518.31213	0.5
527.37012	2.6
535.28882	4.3
545.38428	2.8
551.24847	0.5
562.38562	0.6
565.26898	0.6
579.28192	0.5
645.02722	0.6
689.66345	0.5
759.42755	100.0
760.42834	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	759.5802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30192	0.2
53.94126	0.2
54.59354	0.2
55.01851	0.5
55.05526	1.7
56.05041	0.5
57.03191	0.4
57.03442	4.7
65.03934	0.4
67.05503	3.9
69.07072	4.0
69.64845	0.4
69.65218	0.4
70.06586	0.4
71.04987	0.6
72.04510	0.6
72.08157	3.2
73.06568	0.2
79.05486	1.6
81.07056	6.5
83.04955	0.4
83.08600	1.0
85.06553	0.4
86.09716	0.4
91.05479	15.0
92.05833	0.3
93.07043	1.8
95.04935	0.2
95.08607	6.6
97.06532	3.5
97.10162	0.7
98.09695	10.7
99.08089	4.3
102.09148	0.3
105.07033	2.5
107.08586	1.4
109.10149	1.3
111.08064	0.7
113.09645	2.2
115.07568	0.7
117.07021	11.1
119.08588	0.3
121.10152	0.9
123.11687	0.3
124.11200	0.5
125.09639	0.6
129.06979	1.2
131.08565	16.5
132.08987	0.2
133.10167	0.3
135.11699	0.9
139.11121	0.2
142.12274	6.1
143.08577	1.0
145.10161	1.7
149.13263	0.5
157.10110	0.7
159.11685	0.3
169.10121	0.4
171.11714	1.1
184.07286	0.3
185.13324	0.3
187.14844	0.4
240.73329	0.2
257.19141	0.2
281.22672	0.5
287.05643	0.5
299.23727	0.9
300.28906	0.3
326.28412	0.2
344.29477	5.1
362.30505	100.0
363.30841	2.9
433.05539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94537	0.5
67.05517	1.3
69.07073	0.4
81.07056	1.0
90.12781	0.4
95.08617	1.0
109.10384	0.4
121.10114	0.6
254.30838	0.4
266.37933	0.4
271.39594	0.5
335.26035	0.5
427.15802	0.5
707.35583	0.4
761.38727	100.0
762.38855	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	761.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.60204	0.3
67.05507	0.5
69.69526	0.5
79.05521	0.4
81.07039	0.3
90.50974	0.3
93.07057	0.5
95.08624	0.4
130.91704	0.3
200.65311	0.4
350.18369	0.3
350.82275	0.3
535.26935	1.1
761.38696	100.0
762.39001	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	761.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
53.81297	0.2
55.01870	0.4
55.05518	0.8
55.51013	0.2
56.50818	0.2
57.03442	1.6
61.02929	4.3
62.86195	0.3
62.98251	0.2
63.70027	0.3
65.03929	0.3
67.05508	2.9
69.03436	2.7
69.07072	0.9
69.36932	0.4
69.37325	0.8
71.01337	0.3
71.05019	0.6
73.02917	3.0
79.05492	4.6
81.03418	1.1
81.07064	3.2
83.05014	0.4
83.08613	0.8
85.02908	3.8
91.03959	2.4
91.05466	3.5
93.07047	4.8
94.40864	0.3
95.04993	0.9
95.08595	2.9
95.43011	0.3
97.02890	3.3
97.06538	0.4
99.04482	0.7
101.02373	1.3
103.04002	0.3
105.07027	2.8
107.08598	2.7
109.02904	0.6
109.10173	0.8
115.03970	0.4
117.07024	0.5
119.08591	2.3
121.10139	1.9
125.85201	0.2
127.03952	1.0
129.05495	0.5
129.06966	0.5
131.08595	0.9
133.10126	1.8
135.11676	2.5
141.55264	0.3
145.10092	1.2
147.11703	0.6
149.13292	0.4
152.58174	0.3
157.10109	0.4
159.11751	0.6
161.13239	0.5
163.11185	1.8
163.59979	0.3
171.11836	0.4
181.12254	0.4
185.04240	0.9
185.13330	0.3
201.03812	0.3
203.05244	0.5
219.10033	0.4
227.12796	1.8
243.08391	3.1
249.10999	11.8
259.20706	0.5
262.18195	1.0
263.18381	1.2
264.18674	0.3
289.14072	0.6
301.08871	1.7
305.13647	1.3
313.08954	0.4
315.10660	0.9
317.20676	0.3
347.14771	0.9
361.16379	0.5
365.15634	0.3
371.16956	0.4
373.10797	0.5
383.16653	0.4
393.15198	0.7
437.21249	0.4
443.19083	0.7
451.19391	0.4
465.20959	1.3
467.13235	0.3
467.18890	7.3
467.25400	0.4
468.19586	0.3
497.90903	0.3
535.28784	8.9
536.28992	0.3
539.20905	2.3
567.24219	0.6
581.26117	0.6
599.35718	0.5
609.28693	0.4
623.30463	0.8
760.48926	0.5
761.40698	100.0
762.40961	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	762.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.7
55.01846	1.6
55.05516	4.1
56.05004	1.6
57.03405	2.4
58.06603	8.2
65.03919	0.7
66.04685	0.7
67.05502	10.7
67.06042	0.7
69.03436	6.5
69.07063	2.9
69.33852	3.1
70.06596	30.9
71.04969	0.6
72.57880	0.6
79.05494	7.5
80.05005	0.6
81.03400	1.1
81.07054	15.6
82.06580	4.1
83.08587	2.0
84.04481	1.9
84.08099	1.8
85.02905	4.8
85.06527	0.8
91.05022	0.6
91.05478	5.8
93.07050	6.2
93.18703	0.6
94.04153	1.4
94.06538	1.4
95.04951	1.1
95.08612	14.6
96.07630	0.8
96.08130	8.4
97.02887	3.4
97.06483	0.8
97.08913	7.1
97.10136	0.8
98.09696	3.1
103.05464	1.4
105.07021	3.3
107.04953	0.9
107.08581	3.4
109.06470	0.7
109.10116	2.4
110.09679	7.6
111.10480	0.7
114.09170	6.1
116.06298	0.9
117.06969	0.8
119.08540	2.5
121.10105	2.0
122.03650	3.4
122.09624	1.0
123.08040	0.6
124.11230	1.3
127.03876	2.4
128.06169	0.8
129.06999	1.6
130.80539	0.7
131.04918	1.5
131.08539	1.7
133.10036	0.7
135.11763	0.5
137.05978	31.2
138.12788	1.4
138.13737	0.6
140.10689	0.9
140.61688	0.5
141.07014	0.9
145.10153	1.4
147.11647	0.8
149.06059	0.6
149.09593	0.8
151.03912	0.9
151.07487	1.4
152.14313	0.8
157.06454	1.6
159.08057	0.7
163.07573	0.7
174.06737	0.8
175.07520	1.6
180.17387	1.2
187.14886	1.3
189.09106	2.8
194.19022	1.4
195.19844	2.3
201.09164	1.9
219.10138	4.5
220.16908	2.0
222.18526	94.6
223.18861	2.3
238.17990	1.3
240.19583	56.7
241.19930	1.7
258.20688	3.8
282.20612	9.7
282.23563	0.9
306.20618	0.7
324.21695	2.2
336.21771	2.4
366.23007	1.2
384.23804	37.4
385.24088	1.0
400.23563	1.2
402.24866	60.7
403.25409	2.0
418.24594	1.8
420.26016	0.7
621.46405	0.6
762.40564	100.0
763.40619	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	763.46
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.05505	1.2
57.03443	1.5
61.02926	4.4
62.86804	0.3
67.05508	4.4
69.03426	2.9
69.07066	0.8
69.11500	1.9
71.01362	0.5
71.04987	2.8
73.02917	3.8
75.04486	0.3
79.05502	2.2
81.03421	1.3
81.07054	4.3
83.08599	0.6
85.02898	4.3
85.06581	0.5
87.04508	0.5
91.03951	3.3
91.05474	2.2
93.07034	3.7
93.07500	0.3
95.04981	0.5
95.08597	2.1
97.02892	3.2
97.06548	0.5
99.04456	0.7
101.02397	1.3
103.03967	0.3
105.07040	1.4
107.08608	1.8
109.02879	1.1
109.10184	0.9
115.03930	0.3
117.07068	0.5
119.08627	0.6
121.10153	1.4
123.11714	0.7
127.03918	1.2
131.08617	1.0
133.10175	1.7
135.11742	0.7
145.10217	0.3
149.13284	0.9
151.11174	0.7
159.11723	0.8
173.13371	0.3
183.13843	0.4
185.04204	0.6
187.13390	0.3
192.83347	0.3
203.05185	0.5
243.08339	1.5
257.17615	0.8
267.15738	1.0
290.46857	0.3
323.18347	0.5
335.25854	0.6
441.21011	0.4
485.23529	5.5
486.24631	0.4
519.29205	4.6
592.96686	0.3
636.29248	0.3
763.45978	100.0
764.46069	6.3
764.58691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60406	1.2
61.24203	1.2
65.03946	1.5
67.05498	1.3
69.03451	1.8
69.58198	5.6
75.04439	1.5
79.05506	1.7
81.03409	2.5
85.02892	3.0
91.05474	3.4
91.59618	1.2
93.03448	1.3
94.04161	2.0
95.04963	2.9
103.05457	17.5
105.07027	1.7
107.04943	4.2
109.06557	1.8
111.04488	1.5
115.05456	2.5
117.07011	3.4
118.04179	4.4
119.04930	4.8
121.06480	2.8
122.03659	3.2
123.04453	2.4
125.06016	2.2
125.87930	1.6
129.06938	1.7
131.04922	32.3
133.02844	4.0
133.06497	3.0
135.08087	2.7
137.05972	68.3
141.05453	1.6
143.04884	1.8
145.06450	4.1
147.04407	5.9
147.08083	1.9
148.05205	7.3
149.05956	2.1
151.03900	81.7
151.04890	4.0
153.05513	2.4
160.05170	2.0
161.05905	3.0
162.18031	1.3
163.07553	21.9
165.05515	3.9
167.07056	12.6
173.05981	3.1
175.07516	9.7
176.04648	3.0
177.05434	3.4
179.07030	6.5
181.04939	21.3
189.05380	1.5
189.09100	3.1
191.07025	100.0
192.07538	1.3
203.06982	4.4
205.06538	1.3
205.08580	3.7
209.08047	3.7
219.08160	1.5
223.09502	1.9
233.08061	4.3
235.09686	4.4
237.09109	2.3
249.09190	2.6
263.06647	2.5
263.09155	24.8
265.08545	2.1
277.08774	1.9
295.09518	1.9
307.09546	2.2
309.11084	2.8
325.10556	2.3
327.12357	4.3
329.13864	3.2
337.10690	2.8
355.11755	9.3
369.13242	9.4
387.14343	62.6
388.14572	3.5
413.15781	1.8
469.60425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05032	1.4
58.06599	100.0
59.06927	0.5
70.06590	0.4
70.58478	0.4
71.44377	0.2
73.05304	0.8
80.17568	0.2
83.08621	0.3
88.07629	2.1
95.90282	0.2
100.07600	0.2
100.11274	1.7
105.23132	0.2
118.08647	2.6
128.07074	0.2
152.67149	0.2
166.16101	0.2
175.82120	0.2
182.15338	0.6
209.16447	0.9
210.14870	1.1
226.19115	0.3
288.06351	0.2
312.21667	71.3
313.21976	2.0
351.26453	0.3
435.33362	0.7
453.34338	9.1
454.34683	0.3
661.69434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3607
Annotation	CHEBI:67330
Peak:m/z	Relative Intensity
55.05517	0.4
56.05022	0.3
65.01736	0.3
70.06592	55.6
70.94944	0.3
71.06931	0.6
72.08160	3.5
74.06066	0.6
84.04504	6.4
84.08145	0.7
85.02895	0.4
86.09714	0.8
89.57315	0.3
91.05481	0.9
93.07047	1.4
95.05006	0.4
100.11276	0.3
102.05544	9.1
103.05450	3.5
110.07175	0.4
116.07112	0.5
118.08660	3.2
120.08102	100.0
121.08446	1.1
126.05434	0.3
129.10275	0.8
130.05048	0.4
130.06471	1.5
131.04915	0.6
132.08089	1.0
149.65192	0.3
157.09831	0.4
159.09123	1.5
169.13348	1.1
171.07744	0.3
181.09735	2.8
186.09155	5.7
197.12794	0.4
204.10115	1.5
209.09270	1.5
212.92781	0.4
215.13908	40.8
216.14223	0.6
217.09685	0.3
217.13399	0.7
221.12796	1.0
227.10196	0.5
231.11302	2.8
232.09654	0.6
233.74904	0.3
234.99406	0.3
241.60222	0.3
249.12338	18.2
250.12743	0.7
253.69098	0.3
259.10764	1.0
260.08963	0.4
275.24387	0.3
277.11819	26.4
278.12210	0.6
286.07462	0.3
295.52951	0.3
302.83121	0.3
326.17007	1.8
344.18225	1.6
366.37915	0.3
374.16965	1.4
388.15051	0.6
395.20190	1.0
396.19119	0.4
406.16019	2.0
424.18658	8.5
434.15540	1.2
473.23825	0.4
491.24930	0.9
525.23492	4.5
535.22144	0.8
553.14410	0.6
553.22925	11.3
554.22681	0.5
749.34778	0.4
767.35577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.63495	0.3
62.50228	0.3
65.03952	2.3
71.21028	0.5
77.03909	0.4
85.02900	0.6
89.03939	0.8
91.05480	25.9
95.04973	0.4
99.56686	0.3
103.05492	1.0
105.03383	0.4
105.07030	0.4
107.04964	0.7
114.03722	0.3
115.05457	1.0
117.03391	0.3
117.07024	1.6
119.04942	40.3
120.05286	0.6
121.02858	4.6
127.03915	0.4
129.03355	0.8
129.04321	0.4
129.06979	0.4
131.04938	0.9
132.02061	1.3
133.06462	0.8
135.04398	0.9
136.05132	0.4
144.05544	0.3
145.02864	1.0
145.06473	2.7
147.04405	34.0
148.04739	0.6
149.02319	1.2
155.06007	0.5
157.03970	4.6
159.04329	0.5
161.05978	1.5
163.03966	0.6
164.04681	0.9
165.01855	0.7
167.07059	0.7
171.04379	0.3
173.02345	0.3
173.05960	1.3
174.03038	0.5
175.03905	67.1
176.04204	0.9
178.38918	0.3
179.06970	2.5
181.04916	0.7
187.03859	0.5
189.01790	1.0
189.05476	1.2
191.03395	0.7
191.07024	0.5
192.04193	0.7
193.04916	0.4
193.08429	0.4
199.03909	0.4
201.01842	0.4
203.03398	1.1
204.04004	0.4
205.04933	0.5
207.06519	100.0
208.06888	1.3
213.05544	0.3
215.03394	0.5
217.04938	2.1
219.02802	0.6
219.06500	1.4
221.04454	0.4
231.02954	0.4
231.06560	1.5
233.08023	0.4
235.06036	1.6
245.08107	0.7
249.07558	3.3
267.06354	0.4
273.07562	0.6
281.08060	1.1
283.05981	8.4
284.06549	0.7
291.08704	0.7
293.08124	0.5
294.05203	1.7
295.05991	5.7
296.06635	0.6
297.07626	0.7
305.89334	0.3
307.05975	6.0
307.09311	0.7
308.06775	2.0
309.04077	0.6
309.07446	3.0
313.07034	4.7
315.08612	0.6
319.05942	0.9
320.06622	0.7
321.07498	5.3
322.08221	0.7
323.08942	0.6
324.62299	0.4
325.06989	3.3
329.07971	0.4
333.07434	2.6
335.09161	1.9
337.07031	7.1
345.07553	1.3
349.07065	6.6
351.08527	1.4
351.11145	0.8
355.07980	1.0
361.07080	3.2
363.08719	1.9
367.08145	6.8
369.11819	11.0
370.11993	0.5
373.07034	1.1
375.08527	0.7
379.08020	4.6
385.09229	3.9
387.08395	0.4
391.08069	4.2
403.07907	1.3
409.09045	2.0
415.08463	0.4
427.10190	2.5
445.10294	0.5
457.10864	0.6
463.10211	0.9
475.11920	1.3
481.10983	1.2
493.10870	0.7
499.12344	0.6
511.12427	1.6
513.11560	0.6
529.12964	1.2
531.12634	1.5
543.12360	0.9
547.13977	1.3
561.13562	1.0
585.13831	2.8
597.13538	1.3
615.14941	4.1
616.15210	0.4
633.15985	3.1
639.16272	0.5
651.17047	9.9
652.17108	0.4
663.17010	1.0
681.18311	4.7
687.16510	0.6
705.18109	12.1
706.17468	0.6
717.17352	1.4
735.19092	5.5
753.19794	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	771.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
65.03932	2.0
69.14664	1.8
70.06585	2.8
72.08147	0.6
76.03181	0.3
77.03925	0.4
79.05492	0.4
81.03426	0.4
84.08151	0.8
85.02914	0.6
86.09708	1.4
87.65518	0.4
89.03901	0.8
91.05480	27.2
95.04954	0.6
103.05460	0.7
104.02657	0.5
107.04953	0.7
109.02869	0.5
111.04512	0.4
115.05441	0.3
118.04158	0.5
119.04944	39.8
120.05286	0.7
120.08117	0.4
121.02863	6.0
129.03369	0.6
129.10194	0.6
131.04887	0.5
132.02101	1.9
135.04393	1.2
145.02847	1.7
147.04407	33.3
149.02357	1.0
157.03984	4.2
159.04367	0.4
161.48914	0.3
162.03125	0.4
163.03873	0.4
164.04695	1.1
175.03908	59.0
176.04314	0.6
179.03375	0.6
179.07031	2.9
187.04010	0.4
189.01852	0.9
191.03377	0.8
195.02905	0.8
203.03455	1.7
207.06522	100.0
208.06879	1.6
217.05020	0.6
219.02925	0.6
219.06500	1.1
221.04480	0.6
233.04494	0.6
255.03027	0.4
267.06531	0.4
268.07260	0.6
279.06503	0.9
281.08121	0.9
283.06000	1.0
293.07813	0.6
294.05243	2.7
295.06018	7.7
295.09106	0.3
296.06680	0.9
297.07410	1.1
305.08029	0.5
307.05991	4.8
308.06763	2.3
309.07297	1.7
313.07004	0.9
319.06079	0.6
320.06760	0.9
321.07556	5.0
322.08261	1.2
323.09073	0.8
325.07074	10.0
333.07568	1.7
335.09137	3.2
337.07031	6.7
345.07465	1.4
347.09283	0.5
349.07068	6.1
351.08643	3.4
355.08063	3.3
361.07022	2.3
361.10782	0.4
363.08630	4.3
367.08237	0.8
373.07025	1.6
375.08594	1.3
379.08072	7.3
385.09167	0.9
387.08725	0.6
391.08130	8.6
403.08151	1.0
405.09659	0.5
409.03854	0.7
409.09143	11.3
415.08151	1.1
421.09058	1.6
427.10248	23.7
428.10410	1.0
433.09256	0.8
445.11197	2.2
451.10168	0.6
457.10367	1.5
463.10190	0.5
475.11298	0.9
481.11353	2.1
493.10959	1.8
499.12366	1.1
503.18008	0.7
511.12387	6.4
529.13202	1.8
547.14386	3.5
596.18866	0.4
615.14429	0.6
633.07245	0.4
633.16180	6.0
651.17004	1.6
663.16852	0.9
681.17639	1.0
687.17303	4.2
699.16376	1.1
705.17664	0.9
717.18311	2.5
735.18427	1.4
753.19318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
55.02041	0.6
55.05394	8.0
55.05698	3.5
57.03318	3.4
57.03633	1.2
57.06953	1.3
59.04905	0.6
61.02800	11.3
61.03154	3.8
65.03817	1.1
67.05371	15.4
67.05777	4.4
69.03296	5.6
69.03712	1.4
69.06934	7.2
69.07358	1.8
69.11522	2.4
71.01227	0.9
71.04862	1.3
71.08533	0.5
73.02776	5.7
73.03238	1.4
73.40557	0.3
77.03816	0.6
79.05346	13.1
79.05862	2.6
81.03273	2.5
81.03777	0.5
81.06907	18.0
83.04813	1.3
83.08471	4.4
83.09020	0.9
85.02750	10.1
85.03320	1.7
85.06419	1.0
87.04348	0.6
91.03799	7.2
91.04426	0.8
91.05322	12.5
91.05957	1.9
93.06885	13.5
93.07539	1.7
93.07854	0.6
95.04808	3.1
95.08446	15.4
95.09123	2.1
97.02734	10.4
97.03430	1.4
97.06371	1.8
97.10011	2.3
99.04279	1.0
99.04859	0.5
99.07958	0.6
101.02222	1.8
103.05348	0.6
105.04395	0.9
105.06860	13.6
105.07629	1.4
107.04814	0.6
107.08418	9.1
109.02750	0.8
109.06345	1.3
109.09983	7.3
109.10781	0.7
111.04277	0.3
111.07910	1.0
113.09503	0.4
115.03798	0.7
115.05285	1.3
116.06096	0.4
117.06836	8.3
117.07732	0.6
119.05962	0.4
119.08403	11.4
119.09308	0.8
121.06357	0.3
121.09963	6.1
123.07890	1.0
123.11524	1.4
125.09444	1.1
125.10304	0.4
127.03745	2.3
128.06052	2.4
129.06818	9.2
129.07838	0.7
130.07631	0.6
131.08379	11.1
131.09448	1.1
133.09941	7.6
133.11008	0.6
135.07915	0.8
135.11678	4.2
137.13104	0.8
141.06786	4.4
142.07776	3.1
143.08557	11.0
144.09117	0.7
145.04802	0.5
145.06310	0.5
145.09923	10.9
147.11490	5.7
149.09418	0.7
149.13065	1.8
151.11108	0.6
151.14651	0.4
153.06763	1.0
154.07645	0.8
155.08551	9.8
155.09735	0.7
156.09357	1.6
157.10127	11.5
158.10713	0.5
159.07869	0.5
159.11685	8.0
161.09494	0.6
161.13243	2.6
163.14673	0.8
165.06802	1.3
165.12549	0.4
166.07582	1.0
167.08551	4.9
168.09378	1.7
169.10107	11.4
170.10808	0.9
171.11671	9.8
172.12228	0.4
173.13245	5.0
175.14745	1.6
177.16251	0.8
179.08516	2.2
180.09123	1.4
181.10138	6.4
182.10693	1.0
183.11687	11.3
184.12177	0.7
185.13246	8.0
187.10980	0.5
187.14806	3.5
189.16223	1.2
191.08411	0.5
191.14012	0.3
193.10112	2.4
194.10686	1.1
195.11673	7.7
196.12192	1.0
197.13254	8.8
199.11110	0.4
199.13136	0.4
199.14822	4.3
201.16170	1.3
203.17799	0.5
205.09959	0.9
206.10750	0.4
207.11673	2.9
208.12430	0.6
209.13232	7.2
210.13812	0.5
211.14810	6.0
213.12636	0.4
213.16423	2.9
215.17865	0.5
219.11484	1.4
220.12369	0.6
221.13261	2.5
223.14818	4.7
225.16374	3.3
227.18040	2.1
231.11510	0.8
233.13052	1.0
235.14841	2.3
237.16370	2.8
239.14134	0.4
239.17969	1.8
241.17474	0.6
241.19441	0.9
247.14606	0.5
249.16322	1.9
249.18417	0.4
251.17902	1.9
253.19313	1.2
255.17110	0.7
257.18906	0.4
259.14679	0.4
259.20187	0.4
261.16171	0.8
263.17819	1.5
265.19318	1.1
267.20923	0.4
277.19421	0.7
279.21228	0.8
281.18591	0.4
283.20441	0.9
289.19394	0.4
291.17303	0.5
291.20724	0.6
295.20447	0.8
297.21811	0.4
299.20093	0.4
299.23422	0.4
307.20496	0.5
307.23920	0.4
309.22028	0.9
311.19846	0.5
311.23422	1.0
313.21619	0.6
313.25003	0.7
315.23087	0.4
321.21860	1.2
323.23514	1.2
325.21371	0.5
325.25052	0.7
333.21762	0.4
335.23492	1.1
337.25128	1.5
339.26706	0.7
341.24603	0.5
349.25058	1.3
351.26746	1.7
353.24472	0.7
363.26633	0.8
365.24326	0.5
365.28375	0.9
367.26273	0.8
375.26813	0.4
377.24265	0.4
377.28552	0.5
379.30151	0.6
389.28485	0.5
391.29752	1.0
393.27524	0.6
397.26578	0.4
405.31516	0.4
407.28729	0.5
407.33505	0.6
417.31299	0.5
421.30981	0.5
425.30502	0.4
433.30411	0.4
435.32242	0.8
439.32550	0.4
447.32193	1.4
449.34070	0.7
465.33618	0.5
473.32703	0.8
475.34000	0.6
487.34369	0.6
499.39597	0.8
501.35660	1.0
509.36713	0.4
513.35522	1.1
515.37646	0.7
517.40491	5.2
521.35876	0.8
523.37750	0.5
525.35339	0.8
527.37573	1.0
535.41718	2.9
539.37256	2.2
540.38422	0.5
541.38873	1.2
551.39087	0.4
553.40637	0.5
591.44031	7.1
607.43652	1.9
609.45105	100.0
610.45520	5.1
611.46600	1.1
621.45007	1.0
631.43494	0.4
633.45099	0.7
651.46027	1.0
675.46448	0.6
699.46252	0.8
717.47150	0.8
735.48114	1.9
753.49225	2.0
771.50452	23.9
772.50311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05513	12.9
57.03436	6.5
57.07088	2.0
57.26599	0.8
61.02930	14.5
64.05574	0.9
65.03950	2.1
67.05509	23.9
69.03430	7.1
69.07069	12.5
71.01362	1.1
71.04995	2.1
73.02926	7.8
76.84854	1.0
79.05496	17.1
81.03415	4.7
81.07060	25.0
83.04975	2.2
83.08620	5.7
85.02908	14.5
85.06532	1.6
87.04464	1.8
91.03967	10.0
91.05483	15.2
93.07050	17.2
95.04983	3.2
95.08613	19.9
97.02893	12.8
97.06552	2.0
97.10172	2.9
98.22674	1.4
99.04459	1.5
101.02390	2.1
105.04528	1.2
105.07028	14.2
107.04969	2.0
107.08595	10.8
109.02867	2.3
109.06520	2.1
109.10158	7.9
111.08088	1.0
115.05524	0.9
117.07043	8.8
117.50582	0.9
119.08588	12.8
121.10143	9.1
123.08118	0.9
123.11702	1.3
125.09631	1.1
127.03910	2.6
128.06264	2.5
129.07010	10.7
130.07802	1.3
131.08565	12.7
133.10147	7.6
135.08026	1.7
135.11700	5.5
140.72740	1.1
141.07030	5.3
142.07759	2.6
143.08569	13.8
145.10136	9.8
147.08138	1.3
147.11722	6.5
149.09525	0.9
149.13295	1.6
153.07071	1.4
154.07703	1.0
155.08536	11.0
157.10144	12.4
159.11699	8.4
161.13280	2.5
163.14865	1.5
165.07031	1.0
166.07799	1.3
167.08517	6.2
168.09386	2.6
169.10136	12.7
171.11693	11.5
173.13266	5.9
175.14847	1.7
179.08554	2.8
181.10117	8.6
182.10912	1.6
183.11731	12.7
185.13272	9.4
187.14874	3.4
189.16426	1.6
193.10136	2.3
195.11665	6.4
197.13283	9.5
198.13789	1.2
199.14876	5.5
201.16425	1.4
203.18086	1.4
207.11763	2.5
209.13269	7.7
211.14828	8.5
213.16447	3.7
215.17900	1.1
217.36081	1.0
219.11716	1.5
221.13321	3.2
223.14902	4.6
225.16354	4.8
227.18074	2.4
235.14853	2.6
237.16449	4.3
239.17909	2.3
249.16383	2.5
251.18015	1.5
257.18967	1.0
263.18042	1.6
273.16299	1.4
293.18387	1.1
311.23807	1.1
323.23563	1.5
337.25156	1.6
363.27026	1.1
367.26675	1.2
371.81100	0.9
421.30954	1.3
447.32870	1.3
461.32935	1.2
501.35953	1.2
517.40222	7.0
535.41217	4.1
539.37164	2.8
541.39178	1.6
551.40186	1.3
591.44122	6.2
607.43665	1.6
609.45142	100.0
610.45105	6.2
611.47162	1.4
621.44495	1.5
633.45416	1.4
651.45343	1.6
699.45789	1.6
717.46869	1.5
735.48389	2.3
753.48755	2.3
771.50385	28.6
772.50659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
55.05513	28.6
57.03436	18.4
57.07074	4.5
61.02921	11.8
65.03951	4.3
67.05506	93.3
68.05865	1.8
69.03424	6.0
69.07069	33.3
69.53550	6.9
71.04982	5.9
71.08666	1.9
73.02907	5.1
79.05042	4.2
79.05492	76.4
81.03408	6.8
81.07057	100.0
83.04978	5.8
83.08620	17.0
85.02895	9.0
85.06532	5.0
91.03949	6.8
91.05477	66.9
93.07047	93.8
95.04984	11.8
95.08607	77.7
97.02868	7.3
97.06516	8.7
97.10156	6.3
99.04416	2.8
99.08092	3.6
100.35249	2.0
101.02340	2.0
105.04510	4.1
105.07027	68.3
105.27402	1.9
107.04955	2.4
107.08597	53.3
109.06533	4.2
109.10156	39.1
111.08105	5.3
115.05416	2.9
117.07024	23.2
119.08578	66.8
121.09283	2.6
121.10144	42.6
123.08047	4.9
123.11724	9.6
127.03845	3.2
128.06161	2.2
129.06990	15.5
131.08569	36.6
133.10130	53.3
135.08000	2.9
135.11699	32.5
137.09608	3.7
141.06996	2.1
142.07806	3.2
143.08539	16.9
145.10118	40.4
147.08018	2.1
147.11684	45.0
149.09595	2.4
149.13255	18.7
155.08542	7.4
157.10161	17.0
159.11688	35.1
161.13277	29.8
163.14848	6.3
169.10120	9.4
171.11687	21.7
173.13248	23.7
175.11194	3.3
175.14806	15.4
177.12683	2.2
181.10170	4.3
183.11635	9.6
185.13274	18.5
187.14833	9.6
189.12709	3.1
195.11705	4.0
197.13243	6.3
199.14801	14.3
201.16420	4.4
209.13237	2.2
211.14806	5.9
213.16422	3.6
215.17955	2.5
217.19524	2.9
221.13266	2.3
231.20985	4.7
235.14777	2.1
239.17966	2.1
241.19579	14.3
243.21214	3.2
257.18942	5.4
259.20572	44.3
261.22162	7.8
273.49625	2.3
301.21439	4.0
315.23102	3.0
321.21872	1.7
333.24261	26.6
335.25800	54.6
337.27466	2.3
351.25586	2.2
366.34390	2.3
519.41931	4.1
593.45343	6.1
611.46674	50.7
612.46674	2.7
701.47888	3.3
719.48761	2.8
755.50818	3.1
773.50812	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	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05513	22.9
57.03437	19.5
57.07079	4.3
65.03951	3.3
67.05504	67.6
69.03424	6.0
69.07069	16.5
69.14046	12.0
71.04994	3.7
71.41498	2.5
79.05495	46.9
80.05872	1.9
81.03417	95.7
81.07056	66.4
81.07458	1.3
83.04977	6.6
83.08620	22.3
85.06580	3.3
91.04941	2.7
91.05482	35.7
91.20126	1.8
93.07050	49.2
95.04977	27.1
95.08019	3.5
95.08606	54.5
97.02916	4.3
97.06503	5.8
97.10163	6.4
99.08103	2.4
104.39058	1.8
105.04452	2.1
105.07018	34.7
107.04942	6.9
107.08591	31.5
109.06522	5.6
109.10152	23.0
111.08069	8.9
117.07015	7.2
119.08568	23.4
121.06496	6.1
121.10127	21.3
123.08054	3.9
123.11679	7.1
125.09606	5.1
129.07005	10.8
129.07834	2.1
131.08566	25.4
133.10129	12.9
135.08041	3.1
135.11687	11.9
137.13199	2.5
142.07785	2.4
143.08487	3.6
145.10133	12.9
147.08006	3.8
147.11685	18.6
149.09608	7.0
149.13242	8.6
150.16389	2.1
157.10120	13.1
159.11713	9.4
161.13258	5.3
163.11163	3.3
163.14835	4.2
165.12746	3.3
173.13304	6.2
175.11200	9.2
175.14877	2.8
181.08136	1.9
184.07407	2.8
187.14798	3.2
189.11174	3.6
193.12238	18.0
211.13315	2.6
227.12805	6.9
235.13274	2.9
243.15778	2.4
243.21088	6.3
249.14865	3.8
261.22141	26.2
267.15909	100.0
285.16730	3.8
301.25217	6.2
309.16849	4.0
317.24655	2.5
335.25809	98.2
336.26178	3.0
421.31650	1.9
435.27103	2.9
435.32480	5.9
453.33643	7.7
471.34744	6.5
503.37451	2.7
509.35556	2.1
527.37317	59.7
528.37512	3.3
545.38312	59.5
569.38007	4.8
599.08453	2.6
775.41772	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	775.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	34.1
69.31282	27.7
77.11199	4.8
84.96044	8.2
98.22655	9.4
98.71343	5.0
98.97582	77.0
110.97578	23.5
112.99133	20.7
116.98624	33.9
128.98610	23.4
131.00156	33.4
143.00160	17.5
146.99655	7.2
149.01234	49.2
158.99638	48.2
161.01218	15.2
167.02376	7.7
170.99660	51.2
173.01189	8.0
177.00722	32.2
185.01294	13.6
189.00682	39.0
191.02345	11.8
199.02730	7.0
200.02190	5.8
201.00751	21.4
203.02280	13.0
213.00873	6.4
217.03889	6.4
219.01743	25.1
233.03351	8.6
237.02913	12.0
251.04535	6.2
261.02890	31.8
275.04266	14.1
279.03778	28.3
291.03702	7.8
293.05450	43.9
295.56439	5.1
297.04761	6.3
302.05243	6.6
311.06662	12.3
317.17801	36.0
321.04898	100.0
335.18741	6.2
339.05707	7.9
381.07050	12.9
437.09720	25.3
455.10812	63.2
539.25110	10.5
553.26904	12.7
593.05017	5.2
685.03784	5.8
699.35236	11.8
715.32111	91.1
716.31427	7.5
721.63269	5.5
757.54840	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	775.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
56.96564	32.7
57.03418	1.4
61.27426	1.1
67.05500	3.9
69.03440	1.5
79.05503	4.3
81.03400	1.5
81.07052	5.0
84.96045	5.9
91.05489	4.3
93.07052	3.1
95.08633	3.4
97.10155	1.4
98.97581	88.0
100.99104	1.5
105.07029	2.6
107.08581	2.9
109.10137	1.8
110.97562	26.5
112.99130	25.0
116.98618	30.4
119.08605	2.8
121.10172	2.2
124.99126	7.5
128.98616	23.3
131.00171	43.0
131.08560	2.5
133.10168	1.6
134.99635	6.3
135.11743	1.6
140.00229	3.8
140.98586	6.1
143.00157	19.0
144.09021	1.4
145.10196	1.5
146.99655	9.4
147.11714	2.0
149.01228	46.8
152.00229	2.5
152.98637	4.0
154.01801	3.8
155.00182	2.1
158.99660	50.0
159.72183	1.3
161.01248	11.1
162.99110	1.8
163.11249	2.6
166.01826	4.1
167.02327	8.3
170.99652	46.6
172.02814	5.1
173.01216	11.7
175.02875	3.1
177.00711	33.4
182.99762	2.4
185.01241	10.7
187.02757	1.3
189.00706	36.3
191.02266	13.2
194.99721	5.6
195.01772	2.6
197.01262	1.9
197.25427	1.3
199.02756	6.9
200.02377	4.0
201.00668	13.2
203.02255	11.1
205.03867	2.0
209.01303	3.1
212.02364	5.1
213.00668	6.3
215.02290	3.7
217.03836	8.9
219.01752	23.8
227.02274	4.9
231.01810	5.0
233.03362	5.3
237.02867	13.9
242.03305	2.3
259.20709	1.8
261.02777	31.7
261.05331	1.6
275.04468	10.5
279.03894	32.4
291.03873	8.6
293.05423	52.4
297.05020	6.8
302.05551	5.1
309.04935	5.6
311.06488	16.1
316.07028	2.4
317.17859	30.3
321.04919	100.0
322.05142	2.5
334.08063	3.7
335.06339	1.9
335.18845	7.6
339.05920	7.1
358.20605	2.5
362.07596	5.7
363.05585	1.8
381.06891	9.3
422.10077	1.8
437.09656	33.7
455.10745	91.1
456.11063	2.2
521.24481	1.5
539.25293	7.8
541.35858	1.7
542.35651	2.3
553.26923	12.2
571.28137	1.7
715.32098	75.7
716.32330	4.4
775.38739	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	776.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.6
56.05040	3.5
57.03439	2.1
58.06603	5.6
67.05505	5.0
69.03426	2.0
69.07088	1.7
70.06596	3.7
71.07379	1.6
72.08162	2.8
79.05489	3.4
81.07046	6.0
84.08144	13.8
85.02901	1.1
86.09709	0.9
88.07648	0.9
91.05502	2.7
93.07060	2.4
95.08614	5.3
96.08161	3.4
97.02901	1.3
97.08941	1.2
98.09694	2.0
105.04552	0.9
105.07034	1.9
107.08609	1.9
109.10189	1.4
110.09682	9.6
110.10355	1.1
111.10484	3.5
112.11276	2.5
119.08578	0.9
121.10154	1.0
122.03690	1.4
124.11275	2.0
128.10718	13.8
131.04948	1.1
131.08595	1.4
133.10185	0.9
137.03906	1.0
137.05983	22.0
152.14377	1.3
157.06488	1.3
159.08220	0.7
175.07558	1.9
189.09096	2.3
219.10150	1.5
236.20061	14.4
252.19781	2.1
254.21147	28.7
255.21536	1.3
272.22229	4.2
296.22180	8.9
296.25220	0.9
314.23215	1.4
320.22412	1.0
380.24319	4.9
398.25333	20.8
414.24890	2.3
416.26419	24.6
416.31686	1.4
417.26917	1.4
557.57117	0.9
758.40594	1.4
776.42126	100.0
777.42200	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	776.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
55.79957	0.7
57.03421	1.0
58.06606	2.4
67.05502	4.5
67.14915	0.8
69.03432	2.3
69.07066	1.6
70.06591	10.7
70.06939	1.1
70.31701	1.3
71.07382	1.1
72.08167	1.8
79.05508	3.4
81.07062	6.3
82.06602	3.1
84.08147	5.6
85.02927	2.0
86.09719	1.5
88.07639	5.8
91.05492	1.6
93.07060	2.7
95.04932	1.4
95.08607	4.4
96.08160	3.7
98.09721	1.8
105.07021	1.1
107.08585	2.0
109.06493	0.9
109.10181	1.1
110.09681	10.1
111.10487	3.6
112.11255	4.4
112.51244	0.8
119.08540	1.0
122.03658	2.4
123.04411	0.8
124.11246	2.9
128.10712	10.3
129.07095	0.9
131.04939	1.6
131.08562	1.9
133.52504	0.8
137.05983	22.2
137.07007	1.5
138.12837	1.3
147.11732	1.0
158.37849	1.0
175.07626	1.1
182.19104	2.4
189.09120	1.5
190.37283	0.9
201.09229	1.0
219.10213	1.1
236.20099	7.7
252.19644	2.7
254.21150	27.8
268.19229	1.2
272.22214	4.6
296.22180	6.2
314.23242	2.2
324.21750	1.8
338.23352	1.9
380.24448	1.6
398.25333	15.7
398.30066	1.2
414.24692	1.5
416.26416	24.1
417.26898	1.3
669.48651	1.0
758.41125	2.0
776.42145	100.0
777.42224	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	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
55.05510	41.8
56.78751	1.5
57.03437	19.0
61.02922	3.9
65.03933	3.3
65.17135	1.5
67.05505	100.0
68.05813	1.7
69.03429	3.3
69.07068	18.4
71.01355	2.1
71.04999	3.2
72.30219	1.2
73.02884	2.0
79.05493	42.4
81.03413	5.8
81.07056	56.3
82.07407	1.4
83.04991	5.8
83.08624	16.0
85.02898	14.6
85.06554	4.0
87.04475	5.6
91.05475	26.2
93.07044	41.8
95.04969	7.3
95.08604	38.6
97.02879	3.3
97.06544	5.0
97.10167	21.0
99.08089	2.0
103.03938	2.4
105.04524	2.4
105.07029	15.2
107.04948	2.9
107.08588	25.8
109.06532	2.4
109.10158	46.5
109.10890	2.7
111.08054	3.3
117.07011	6.9
119.08576	14.9
121.10143	19.0
123.08086	2.9
123.11718	5.0
125.09628	18.5
126.74425	1.5
129.07042	1.4
131.08559	11.5
133.10130	10.0
135.11694	9.9
137.09636	3.3
139.11148	2.1
143.04297	1.3
143.10681	2.9
145.10133	10.4
147.11682	7.5
149.09605	2.1
149.13292	4.4
153.12756	2.3
155.10645	2.6
157.10127	3.1
159.11711	6.6
161.13342	4.9
163.11211	4.1
163.14812	3.6
167.74481	1.5
171.11676	1.8
173.11751	13.1
173.13252	5.4
181.12376	1.8
187.14862	1.7
189.11205	1.5
193.12277	2.2
199.13255	10.9
209.11659	2.4
211.11432	1.6
227.12827	7.2
229.10861	1.8
229.14336	40.4
243.21100	4.8
245.13771	2.9
249.08781	1.5
259.20673	2.0
261.22055	12.3
267.15915	4.1
283.15408	2.4
301.16455	14.9
315.23419	1.5
317.24844	3.7
335.25806	73.4
336.26309	2.3
337.27347	1.3
363.25458	2.0
459.34418	1.4
477.35693	9.3
489.35757	14.9
490.36414	1.9
543.36780	3.1
561.37646	6.7
624.60706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	22.9
67.57289	1.8
75.16793	1.8
76.50684	1.6
84.96032	4.5
97.24554	1.9
97.64892	1.7
98.97583	77.0
110.97573	23.1
112.99136	22.2
116.98615	31.8
124.99133	4.7
128.98608	20.4
131.00165	34.6
134.99686	6.8
140.00235	2.8
140.98625	6.1
143.00146	16.2
146.99625	9.5
149.01228	37.0
149.02373	2.8
152.00264	2.7
152.98579	3.4
154.01817	2.5
158.99660	42.6
161.01245	13.4
167.02310	7.5
170.99644	40.6
172.02776	4.1
173.01202	10.1
177.00716	32.4
182.99570	2.4
185.01283	7.9
189.00708	39.6
191.02281	9.2
192.97882	2.9
195.01796	2.9
199.02785	7.3
200.02362	5.3
201.00714	9.4
203.02248	10.6
207.01759	2.7
209.01306	2.4
212.02325	4.1
213.00772	7.0
215.02306	3.6
217.03874	7.6
219.01736	25.2
227.02281	5.0
231.01813	6.1
233.03374	4.9
237.02779	13.2
261.02805	26.4
275.04437	10.7
279.03891	26.4
288.83813	1.9
291.03864	4.8
293.05441	39.6
297.04959	7.0
302.05344	6.3
309.04984	5.5
311.06445	14.6
311.26410	2.2
315.03549	4.7
316.06995	3.4
319.19507	16.5
321.04922	100.0
332.06625	2.9
334.08051	3.0
337.20584	19.5
339.06104	6.9
360.22110	4.4
362.07639	6.6
381.06845	8.5
399.08218	2.5
437.09656	29.4
455.10751	61.4
477.09286	2.6
541.26874	8.5
555.28381	11.2
661.30432	2.3
701.37433	9.0
717.33661	81.7
718.33551	5.2
739.31403	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	777.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24004	1.2
56.96561	23.8
67.28321	1.2
71.45647	1.4
78.74393	1.0
84.96039	4.3
92.43478	1.2
96.83229	1.3
98.97578	73.4
110.97557	18.5
110.98286	1.6
112.99126	20.2
116.98621	26.2
119.15839	1.1
124.99120	4.0
126.63489	1.3
128.98605	19.8
131.00160	36.8
134.99675	7.3
140.00206	3.6
140.98608	4.8
143.00146	13.4
144.98111	2.1
146.99640	8.9
149.01216	34.8
149.02364	1.8
152.00218	1.8
152.98602	3.2
154.01753	1.6
155.00195	2.7
155.85931	1.3
157.01758	1.8
158.01334	1.4
158.99646	32.6
161.01225	8.8
166.01756	1.5
167.02289	8.3
170.99635	39.2
172.02809	3.3
173.01199	9.1
175.02765	1.6
176.99234	2.5
177.00710	31.6
182.99716	1.7
185.01247	8.1
189.00690	34.9
191.02269	12.3
194.99719	3.3
195.01753	2.8
197.01245	1.8
199.02789	7.8
200.02280	4.1
201.00708	11.6
203.02223	10.3
207.01755	2.6
209.01199	1.8
212.02328	6.2
213.00729	5.3
215.02292	3.6
217.03795	8.3
219.01747	22.8
226.03827	1.2
227.02271	3.5
231.01794	5.0
233.03275	4.1
237.02750	9.8
242.03470	3.0
260.04492	1.8
261.02789	25.2
275.04343	10.3
279.03851	25.7
291.04028	5.5
293.05405	39.9
297.04990	7.6
299.89975	1.1
302.05359	3.5
305.05453	2.1
309.05035	5.0
311.06464	13.5
315.03690	2.9
316.07062	2.8
319.19366	13.6
321.04904	100.0
322.05304	2.3
332.06476	1.3
334.08121	3.6
337.20480	20.7
339.05844	6.2
360.22046	1.8
362.07642	6.2
371.20456	1.7
381.07080	8.2
383.36780	1.3
399.08066	2.2
437.09631	27.2
453.09097	1.6
455.10696	54.1
477.08664	2.1
478.11926	1.4
541.26678	6.5
555.27948	8.4
661.31104	2.3
701.36816	4.5
717.33661	73.5
718.33307	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	778.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54831	1.2
65.74638	1.1
70.86404	1.4
86.64215	1.1
93.08047	1.2
99.40979	1.1
185.04239	2.3
200.90294	1.0
362.26642	5.4
492.29401	9.7
616.49017	2.2
718.52454	5.7
771.63672	1.4
778.54370	100.0
779.54346	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	779.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.03457	0.9
61.02932	3.4
64.62337	1.0
67.05501	3.5
69.03431	1.9
69.07068	2.0
70.06598	5.8
70.96786	1.7
73.02915	2.2
74.97048	0.8
76.29141	1.0
79.05524	1.5
81.03389	1.2
81.07056	7.4
83.08617	0.9
85.02905	3.6
86.03728	0.8
86.06094	1.1
87.04470	1.3
91.03964	2.7
91.04995	0.9
91.05502	3.8
93.07067	2.2
95.05019	0.8
95.08591	2.3
97.02898	3.7
98.97599	2.7
102.96879	1.4
104.07115	1.9
105.07040	2.9
107.08614	1.1
109.02887	1.0
109.10239	1.0
119.08599	1.8
121.10177	2.7
123.11720	1.6
124.08233	1.1
127.03973	1.2
131.00105	1.0
134.99564	1.7
147.11728	2.8
189.00618	1.1
190.07619	1.0
230.03230	1.2
243.08417	1.8
251.12579	1.4
302.28671	2.1
320.29718	2.1
321.04999	1.4
325.04279	1.3
333.20410	3.6
410.27234	1.2
469.20273	9.3
518.91345	1.3
551.28479	3.8
617.36932	4.4
705.38141	2.4
716.32727	1.7
719.31848	1.8
761.40594	1.2
779.41675	100.0
780.41687	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
57.03428	1.3
61.02934	4.5
67.05509	5.4
69.03427	3.3
69.07072	0.8
69.96198	1.1
69.96557	1.5
70.06589	13.4
71.04987	3.7
71.06921	0.7
73.02915	2.9
74.31667	0.6
79.05101	0.6
79.05489	3.2
81.03411	1.5
81.07043	4.8
83.08613	0.6
85.02892	3.8
91.03957	2.4
91.05485	2.7
93.07035	4.8
95.08627	2.2
97.02892	3.8
97.37605	0.6
98.22816	1.1
98.97604	0.7
99.04469	1.3
101.02370	1.4
105.07050	2.8
107.08585	1.8
109.02850	1.1
109.10181	1.0
119.08592	1.8
121.10156	1.5
123.11699	0.8
125.59659	0.6
127.03983	0.6
131.08580	1.6
133.10109	3.0
135.11734	0.7
147.11707	1.2
149.13229	0.8
151.11212	0.9
159.11693	0.8
160.70593	0.6
165.38344	0.6
185.04225	0.9
243.08507	2.8
257.17535	0.9
267.15790	1.5
275.37274	0.7
287.68039	0.8
297.45981	0.9
301.09076	1.0
323.18314	0.7
373.11243	0.9
453.21298	1.0
482.25803	0.9
485.23615	8.3
486.23416	0.8
535.28705	5.2
557.25739	1.3
735.48785	0.8
779.45313	100.0
780.45874	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	779.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.03429	2.1
57.07046	0.4
61.02928	6.8
67.05502	5.7
69.03429	4.0
69.07078	1.5
70.06576	0.7
70.95502	0.4
71.05003	1.4
73.02921	4.7
79.05493	4.0
81.03417	3.5
81.07064	6.0
83.04994	0.6
83.08629	0.6
85.02908	5.6
85.06547	0.6
87.04494	0.8
91.03940	2.9
91.05473	2.3
93.07033	3.9
95.04993	1.0
95.08596	3.7
95.09125	0.4
97.02894	5.1
97.06547	0.6
99.04469	0.6
101.02369	2.4
103.03998	0.4
105.07039	2.0
107.08623	2.0
109.02872	0.5
109.10185	1.3
111.08132	0.5
117.07008	0.7
119.08588	1.2
121.10148	2.0
123.11763	0.3
127.03935	1.3
131.08589	1.5
133.10158	1.1
135.11714	0.8
145.10202	0.4
147.11745	0.7
149.09619	0.9
157.10152	0.5
159.25893	0.3
184.07390	1.0
185.04240	0.7
193.12305	0.8
243.08389	2.6
267.16037	0.6
283.15204	5.4
293.05481	0.4
317.17960	1.5
335.25952	1.0
339.17996	0.8
391.21744	1.3
501.22980	7.1
501.29514	0.6
502.23251	0.5
519.29260	7.2
520.29535	0.5
779.45453	100.0
780.45685	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	781.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
55.42604	0.3
58.14194	0.3
60.04526	0.6
60.05654	1.1
68.05023	0.4
69.21085	0.3
69.58896	0.3
69.69637	1.0
70.06593	100.0
71.06919	0.8
71.12392	0.2
72.08154	3.1
73.22931	0.2
74.93457	0.2
77.82234	0.2
78.41624	0.3
84.04533	0.5
86.09711	18.7
98.06066	0.6
106.15408	0.3
112.08730	2.7
113.07153	0.4
115.08695	4.2
116.07063	1.8
120.08154	0.5
125.10755	0.4
127.08640	0.3
129.10258	0.4
130.09785	0.7
140.08185	3.6
154.15959	0.5
155.08131	0.5
157.09706	3.8
157.10812	0.5
158.09253	3.0
161.76250	0.3
167.08195	1.4
173.12814	1.4
175.11900	6.2
175.13298	0.4
183.11432	1.4
183.14932	16.3
185.09155	3.2
185.16534	0.4
194.13031	0.5
195.07646	0.7
195.11345	0.5
195.73975	0.3
201.12338	0.7
206.40031	0.3
211.14423	13.5
212.13881	1.4
213.12408	0.5
213.84431	0.3
230.15083	0.3
241.19171	0.9
248.97569	0.3
252.17194	0.5
254.16194	0.5
255.14542	5.9
255.17049	0.5
264.18570	0.3
269.18719	1.0
272.17166	4.4
280.16568	5.5
282.21912	0.5
298.17596	4.4
310.21243	0.8
354.21506	0.6
383.26901	0.6
397.24640	0.5
510.33221	0.9
581.37561	0.4
752.19580	0.3
760.15167	0.4
763.48419	0.4
781.49304	71.4
782.49524	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	783.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	28.6
59.79648	1.1
63.13870	0.9
63.14260	1.0
70.06590	8.3
71.43184	1.2
84.08166	2.9
84.96036	12.8
85.02895	1.9
97.02901	2.6
98.97587	92.6
110.07175	2.6
110.97576	27.5
112.99140	5.8
113.78973	1.2
116.98626	44.6
124.99067	1.7
127.60234	1.1
128.97656	1.7
128.98613	32.6
129.10260	1.1
131.00179	7.5
134.99684	9.3
140.98595	4.3
143.00174	14.9
144.98090	3.9
146.99646	14.6
149.01241	3.6
152.98639	1.4
153.00670	1.4
158.99677	12.5
161.01228	28.8
162.99127	2.7
163.03946	1.3
165.00749	1.6
170.99637	9.4
173.01245	1.5
174.99190	2.0
175.00650	2.3
177.00706	15.5
179.02286	7.5
182.99667	2.7
184.02834	1.3
189.00764	7.9
193.00247	1.4
193.01794	4.1
194.99730	1.6
195.01787	2.0
201.00665	11.5
207.01753	2.1
209.01224	3.5
211.02835	5.3
213.00760	3.6
218.99820	4.0
219.01765	63.4
231.02020	1.3
237.00726	12.1
237.02817	100.0
242.03351	2.2
255.01729	49.9
255.03923	4.1
256.02246	1.5
260.04422	2.0
261.02869	8.0
273.02829	44.6
279.03964	9.0
293.03506	1.5
293.22119	1.1
297.02747	7.2
315.01367	1.9
321.02881	3.9
323.04526	2.0
333.02689	9.6
339.03778	2.8
341.05383	1.7
351.03857	1.3
363.03622	1.6
381.04901	60.7
382.05475	1.4
399.06003	92.2
400.06354	3.0
422.07593	4.7
424.05225	1.2
431.06418	1.6
441.07092	48.7
442.07513	1.9
459.07104	1.1
543.07727	4.7
561.09186	45.5
562.09149	1.9
575.10620	2.0
602.11340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03429	4.0
59.04989	1.0
60.66349	0.8
61.58981	0.9
65.03923	1.1
67.01866	0.9
69.03440	0.9
69.15730	4.1
70.06593	9.7
71.01344	1.2
71.04983	2.2
72.08160	2.0
73.02913	1.2
74.12536	0.9
76.45392	1.0
82.55056	0.9
83.01344	3.9
84.04510	0.9
84.08110	1.5
85.02897	4.5
86.09718	4.0
87.04475	2.5
95.01345	1.7
95.04943	1.1
98.22771	2.1
99.04441	1.8
101.02370	2.3
103.03925	0.9
107.04951	1.3
109.02840	1.7
110.07199	0.9
111.00803	3.7
111.04395	0.9
115.03900	5.2
119.04945	6.9
120.08119	1.3
121.02865	21.1
127.03961	2.1
129.01855	3.3
129.10219	2.6
131.04919	0.9
139.04001	1.1
141.08754	0.9
143.03403	4.2
145.02902	2.2
147.04375	1.2
157.01366	3.0
165.01843	1.1
171.02921	1.2
171.04407	0.9
175.03914	1.3
177.01849	1.9
177.05566	1.2
179.03418	1.4
183.02986	0.9
187.03880	1.6
189.01840	5.6
189.03926	2.7
191.03374	2.5
195.02902	7.7
199.04028	1.2
201.01836	1.6
203.03362	8.8
205.04866	2.9
207.02893	4.5
215.03413	1.4
217.05022	4.2
219.02858	2.9
221.04468	3.2
225.03726	1.0
227.03412	2.9
229.05005	3.0
231.02760	1.1
235.18282	1.0
241.04967	1.1
243.02872	1.6
249.91246	1.0
255.02783	2.6
257.04446	1.9
263.07190	1.1
267.06497	1.7
268.07364	2.2
271.05963	2.1
279.06500	3.4
280.07349	1.3
281.08017	2.0
282.05264	1.6
283.06027	16.1
284.06702	2.8
291.06686	1.4
292.07156	1.5
293.07996	2.8
294.05258	8.2
295.06000	100.0
296.06717	9.2
297.07529	7.0
307.06006	39.1
307.09592	1.6
308.06738	11.6
309.04138	1.4
309.07526	12.5
311.05569	2.1
313.07037	6.8
317.08020	1.5
319.06018	5.0
320.06720	4.9
321.07547	33.8
321.11346	1.7
322.04901	1.6
322.08340	7.8
323.05490	5.0
323.09183	3.2
325.07056	59.2
326.07361	2.1
333.07596	6.0
334.08136	1.5
335.05539	3.8
335.09167	15.0
336.06161	4.6
337.07065	32.2
338.07529	1.3
339.08658	2.1
345.07550	3.1
347.05328	3.1
347.09216	7.5
349.07025	38.7
350.07794	3.4
351.08707	10.0
353.06567	2.7
355.08096	6.6
357.07492	2.0
361.07022	9.9
363.08670	11.1
365.06476	2.8
365.10321	4.5
367.08072	5.8
373.07019	9.1
374.07901	2.4
375.08704	5.7
377.06274	5.3
377.10654	1.5
379.08096	16.4
381.09576	1.7
385.06976	2.0
387.08508	2.7
389.06393	2.6
391.08093	23.1
392.08752	1.9
393.09775	6.9
395.07349	1.4
397.09381	2.2
403.08057	8.6
405.09821	2.1
407.07382	1.8
409.09183	27.9
415.08517	1.7
417.09738	4.0
419.07483	2.1
421.09122	12.3
427.10367	9.4
431.11737	1.9
433.09073	1.7
435.10687	2.8
439.10284	23.7
445.09592	2.7
451.10034	1.2
457.11282	23.6
459.10800	1.6
463.10236	10.5
469.11029	1.7
475.12296	4.8
477.11588	1.3
487.10397	3.2
493.11118	3.5
505.11224	8.1
523.12415	7.7
541.05847	1.8
541.13379	22.0
559.14429	18.7
583.10962	2.0
597.12219	4.3
603.12708	1.2
609.12714	2.2
615.13434	16.7
622.46100	0.9
627.13538	7.0
633.14392	5.8
645.14410	11.5
651.13220	3.7
663.15540	6.8
669.14374	25.2
681.14795	1.4
685.14276	1.2
687.04395	1.5
687.15552	18.0
693.14124	3.5
699.15491	11.5
707.57324	1.0
711.15619	10.0
717.16779	7.4
729.16510	14.2
747.17615	15.6
762.85449	1.1
765.18896	10.0
783.20209	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	783.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
56.05029	1.1
57.03434	3.8
59.04997	1.1
62.19058	0.6
63.02885	0.5
68.05006	0.5
69.03430	0.7
70.06591	100.0
71.01348	1.4
71.05000	1.6
71.06937	0.6
72.08148	1.7
73.02912	1.6
74.06082	3.6
83.01334	3.0
84.04521	2.4
84.08151	2.0
85.02913	2.0
86.06081	1.2
86.09707	13.0
87.00845	0.6
87.04491	2.8
87.10014	0.6
87.61778	0.5
89.02380	0.7
95.01334	1.4
97.02924	0.9
99.04491	1.0
101.02380	5.2
101.07133	0.8
103.03944	0.8
105.06998	0.8
105.28384	0.6
105.43147	0.6
109.02869	1.0
110.07175	1.2
111.00794	2.8
112.03976	1.7
114.05546	1.9
115.03934	5.9
115.08740	0.7
119.04967	2.6
120.08095	1.6
121.02867	12.1
121.06530	0.6
125.15028	0.5
125.81009	0.5
126.09180	1.1
127.04002	0.8
127.08665	0.6
129.01837	3.3
129.10237	1.3
130.04996	1.5
141.10246	2.8
141.13908	0.7
143.03386	3.5
143.11858	0.8
145.02856	1.4
147.04465	0.6
152.10718	1.1
153.10214	3.5
155.08171	2.4
157.01318	6.6
159.02968	0.9
161.02293	0.7
161.04486	1.0
163.03909	1.1
165.01851	1.1
167.08211	0.7
169.09726	1.5
169.13391	0.9
171.11278	10.3
175.03951	0.7
177.01863	1.2
179.03426	0.9
181.09711	20.4
185.09261	2.5
187.10788	9.0
187.14462	2.5
189.01915	2.9
189.03923	4.6
191.03397	1.1
195.02946	3.2
197.12944	1.6
199.10770	8.2
201.01892	0.6
201.05470	0.7
203.03358	4.7
205.04939	0.9
207.02962	2.8
207.04854	0.8
213.08871	0.6
215.03619	0.6
215.05414	1.4
215.13887	2.9
217.05087	1.6
219.02965	2.1
221.04398	0.9
226.11977	0.7
227.03461	1.2
229.05028	1.6
245.04536	0.9
252.13394	4.1
255.02869	1.4
257.04318	0.8
259.04553	1.0
261.06177	1.5
267.06589	1.6
268.07361	1.2
268.64008	0.6
269.04395	0.9
270.05292	0.6
270.14575	1.5
273.03754	0.8
279.06531	2.0
280.07330	0.8
281.08167	1.3
282.05212	0.8
282.14505	3.4
283.05969	7.4
284.06726	1.1
284.19669	0.8
285.04102	0.9
288.15631	1.9
292.07086	0.9
293.08151	2.1
294.05209	4.9
294.18060	3.3
295.06012	44.4
296.06607	3.8
297.07544	4.4
307.06015	23.1
307.09579	1.3
308.06744	7.5
309.04236	0.6
309.07516	10.7
309.10806	0.9
312.19168	1.4
313.07111	2.2
316.18799	0.8
317.08109	0.9
319.06097	2.5
319.09402	0.7
320.06772	2.4
321.07559	16.0
322.08298	3.7
323.05542	2.4
323.09262	2.3
325.07065	26.1
326.07401	0.7
329.08249	0.8
331.05920	0.7
333.07419	3.4
335.05515	1.3
335.09109	8.7
336.06253	2.0
337.07034	21.3
339.08798	1.9
345.07614	1.9
346.08261	0.9
347.05383	1.3
347.09225	4.2
349.07086	11.2
349.11017	0.9
350.07803	1.6
351.08640	7.0
353.06580	1.0
355.08109	4.8
357.07730	0.8
360.06201	1.2
361.07053	6.0
363.08649	6.1
365.06326	1.1
365.10660	3.2
365.18173	5.7
367.08151	5.4
367.23459	0.7
369.09836	0.8
369.21243	1.4
373.07169	3.1
375.08600	4.3
377.06628	1.8
377.10739	0.9
378.06946	0.9
379.08109	11.0
381.09717	1.6
383.19156	3.4
385.06790	1.1
385.24557	1.8
387.08658	1.1
389.10419	1.0
391.08102	12.1
393.09641	2.4
395.22980	4.5
397.09436	0.9
403.08020	5.4
404.08716	0.6
405.09760	0.7
409.09171	18.6
413.23932	17.3
415.09067	0.7
417.09674	1.7
421.09146	6.0
431.11316	0.6
433.09201	2.7
435.10873	2.0
439.10226	5.9
445.09088	1.0
451.10403	2.1
457.11267	13.5
463.10257	4.8
466.26535	1.3
469.10895	1.1
471.13074	3.3
475.10754	1.7
478.26657	11.6
481.11526	1.2
484.27670	4.9
487.12375	3.9
493.11392	2.0
496.27737	5.5
505.11307	2.2
511.12469	0.7
523.12292	3.2
541.13190	1.9
559.14606	1.2
579.31842	0.9
597.12280	2.3
597.32410	9.8
599.33997	3.2
609.12494	0.8
615.13489	11.5
627.13507	2.2
633.14526	4.3
645.14801	5.1
651.13263	2.6
663.15338	5.8
669.03278	1.0
669.14496	15.0
670.14825	0.9
670.37262	1.0
681.14380	2.3
687.15472	12.5
693.14410	2.1
699.15527	8.4
711.15259	5.5
717.16705	4.9
729.16388	8.6
747.17596	8.8
765.18622	6.5
765.40601	0.9
783.19751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00178	0.2
56.05023	0.5
56.55556	0.1
58.08473	0.2
63.39816	0.2
68.05017	0.2
69.07054	0.7
69.18279	0.8
70.06581	0.3
71.08620	0.9
84.08135	0.2
86.09704	100.0
87.10012	0.3
91.05464	0.3
93.07056	0.3
98.09701	1.2
103.05483	1.0
104.10690	0.2
105.07027	1.2
110.09673	0.3
112.11237	7.3
113.11531	0.2
114.09173	0.3
120.08099	40.6
121.08454	0.3
132.08086	0.4
146.09621	1.8
151.12297	0.2
154.15898	17.4
157.13359	10.9
158.09677	0.2
164.66299	0.2
166.15964	0.2
167.11842	0.3
182.15396	0.3
185.12854	13.9
188.14337	6.2
191.11821	0.5
197.20232	0.2
199.18045	14.7
209.16527	0.7
215.15376	0.3
219.11212	1.3
225.11896	0.2
225.19618	7.3
225.21835	0.4
227.17534	14.3
233.16476	15.8
234.16873	0.2
235.18047	0.4
237.15884	0.4
243.14934	0.5
253.19110	7.9
255.17027	0.3
259.18057	2.1
261.15973	14.7
262.16370	0.2
267.24316	7.8
271.14441	0.4
277.22723	0.6
280.20230	0.7
287.17502	2.8
295.20480	0.2
295.23798	4.5
298.21259	8.8
301.22714	7.3
311.21106	0.5
322.24918	0.7
323.23282	0.4
329.22244	4.6
329.25916	0.3
332.19681	5.4
339.20535	0.2
340.25952	2.8
356.23245	0.6
366.27539	2.5
374.24390	3.9
383.30130	1.5
400.25937	3.0
408.32263	0.5
411.29681	4.2
417.28659	1.5
421.27692	0.2
425.34692	0.4
442.30685	2.1
445.28110	4.1
446.28928	0.2
451.26233	0.2
451.36246	0.2
453.34406	0.7
459.33118	1.3
479.35901	1.8
485.35275	0.3
487.32745	2.3
496.38309	0.8
512.34723	0.2
513.34338	3.4
524.38013	3.7
530.37140	2.0
540.35413	0.3
552.38074	0.3
555.39050	1.5
558.36462	8.2
559.36945	0.3
568.35052	0.3
572.41577	0.7
586.36249	0.2
592.44324	1.4
598.43402	0.4
600.40955	1.4
609.47028	0.7
626.42706	5.3
627.42206	0.3
628.41199	0.2
636.41687	0.2
637.46594	1.9
643.45441	4.5
653.43927	0.8
668.47388	0.6
671.44861	16.5
672.45056	0.7
681.42816	0.2
695.48779	0.2
699.44446	0.4
713.49225	0.6
739.51141	3.8
740.51556	0.4
756.53693	7.1
757.54346	0.2
766.52130	2.1
779.93561	0.2
784.53204	11.6
785.53638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
65.03934	0.4
67.05501	1.9
67.73173	0.4
69.03429	1.5
69.07052	0.5
71.05004	0.5
73.02901	0.5
79.05504	1.2
80.05017	0.8
80.72388	0.4
81.03425	2.7
81.07060	0.7
82.06596	0.8
85.02899	1.6
91.05486	1.5
93.05779	1.9
93.07035	2.6
94.06561	5.6
95.04979	1.0
95.07350	2.4
96.08137	5.8
97.02914	0.9
97.06516	0.5
103.05494	1.0
106.06580	2.0
107.07351	1.9
108.04482	1.8
108.08114	18.8
109.02890	1.2
110.09676	10.3
116.05038	0.5
117.05743	0.5
118.06570	0.7
120.04452	1.0
120.08109	10.2
122.06013	5.7
122.09652	4.3
124.07598	1.7
127.03980	0.7
132.08122	1.2
134.06021	1.2
134.09647	1.0
136.07574	13.5
138.09137	14.5
138.10146	0.8
144.04463	0.5
146.06013	2.0
148.07559	7.1
150.09142	7.6
152.07098	2.0
158.05980	0.5
160.03986	1.3
160.07608	1.6
161.08369	0.4
162.09164	1.2
164.07077	1.5
165.07890	0.5
166.08638	17.8
168.10272	0.7
172.03961	1.3
172.07619	0.6
174.05548	1.0
174.09166	1.4
176.07143	0.6
178.08662	0.4
180.10262	0.7
184.09940	0.5
186.09105	0.7
188.06973	0.5
190.05060	1.7
194.08221	0.8
195.09166	0.8
197.10779	0.7
199.06064	0.4
199.08690	0.9
199.12296	0.7
204.06487	2.2
209.10765	0.7
210.11575	0.9
211.08708	1.4
211.12250	2.6
211.24165	0.4
212.09502	1.3
212.13132	1.0
213.10226	4.2
220.09865	0.5
222.11577	1.2
223.08662	4.8
223.12253	3.2
224.09464	1.4
224.13109	1.2
225.10211	15.6
225.13948	1.6
226.10902	4.2
227.08217	0.6
227.11761	6.8
228.12596	0.5
229.13333	0.5
235.08713	1.6
235.12280	0.7
236.09267	2.3
236.13110	0.6
237.10216	11.3
237.13716	2.4
238.10944	7.2
238.14693	0.4
239.08109	1.7
239.11777	18.4
240.10257	0.6
240.12602	3.6
241.09738	1.0
241.13348	2.7
249.10187	3.6
250.10951	3.8
251.08134	3.9
251.11783	19.5
252.09914	0.8
252.12471	4.3
253.09790	8.3
253.13426	10.0
254.10507	1.2
254.14108	0.7
255.11375	1.7
255.14902	0.9
262.11066	1.2
263.08310	1.1
263.11880	4.1
264.09012	2.0
264.12604	1.7
265.09799	14.2
265.13409	13.1
266.10464	4.8
266.13907	3.0
267.11365	8.3
267.14948	2.3
268.12158	1.4
269.09262	0.8
269.12946	2.9
271.10837	2.3
271.14346	0.7
273.12302	0.8
274.11008	0.6
275.11804	1.3
276.12671	0.8
277.09821	2.7
277.13397	1.6
278.10425	3.1
279.11288	14.5
280.12051	1.7
281.09494	0.7
281.12799	9.0
282.10068	0.6
282.13443	0.9
283.10846	5.6
283.14456	1.6
284.11664	1.0
285.12332	24.2
286.13113	2.6
287.13974	2.1
291.11261	4.3
292.12054	1.4
293.09503	0.9
293.12820	10.0
294.13611	1.7
295.10837	1.8
295.14456	2.4
296.11517	1.6
297.12311	9.3
297.15384	0.6
298.13129	6.9
299.13895	7.1
300.14691	1.1
301.15503	0.7
303.11157	0.5
305.09323	0.7
305.12851	1.1
307.10864	3.0
307.14139	0.8
309.12320	4.2
310.13141	1.8
311.13867	8.9
312.14569	1.4
313.15536	2.5
315.13892	1.0
315.17386	0.6
316.14606	1.3
318.16165	0.7
319.10858	1.1
320.11459	0.5
321.12311	4.0
322.13104	0.8
323.13974	1.3
324.10977	0.5
324.14655	0.6
325.11908	3.5
325.15298	0.8
326.12933	0.5
327.13388	5.7
328.14340	1.2
329.15335	1.0
330.16055	1.8
332.17752	1.1
335.13989	0.8
337.11908	1.2
338.12698	1.2
339.13327	4.6
340.14294	0.7
340.18036	0.5
341.15097	2.3
342.12473	0.6
342.16153	1.3
343.13214	1.0
343.17163	0.6
344.14017	1.9
344.17618	1.1
346.15891	0.8
346.19330	0.7
351.13519	0.8
353.15005	1.7
354.15765	0.6
355.12930	0.9
355.16855	0.9
356.13962	1.4
356.17792	1.0
357.14664	1.5
358.15259	2.7
358.19406	0.7
359.16125	4.1
360.16946	1.4
362.18655	0.7
367.16867	0.7
368.13669	0.7
369.14752	1.8
370.15475	1.5
371.16208	2.1
372.16974	2.6
373.17770	0.7
374.14682	1.0
374.18939	0.9
376.16779	0.6
379.16769	0.6
381.14545	1.5
383.16245	1.4
384.17392	1.0
385.17719	0.6
386.14496	0.7
386.18817	1.4
386.63818	0.5
388.20660	0.5
390.17877	2.3
391.18884	0.7
393.14685	0.7
395.16107	1.1
396.16989	0.6
399.15543	0.7
400.16217	0.7
401.17401	0.9
402.18182	1.1
404.19592	1.5
407.16101	1.7
409.18262	0.8
411.15656	1.9
412.16403	0.6
413.17358	1.5
414.18124	1.3
416.15564	0.6
418.17633	1.7
418.22198	0.7
419.16229	0.5
420.18967	0.7
421.17722	0.6
422.20642	0.6
423.15683	1.2
424.16202	0.7
425.16919	2.2
427.18805	6.6
428.19730	1.4
429.16821	1.9
430.17853	1.5
431.18045	0.6
432.19302	1.9
433.19696	0.7
435.15738	1.1
437.17200	1.6
441.16525	2.4
443.18451	3.0
444.19241	1.1
446.20590	2.0
448.18140	0.6
450.20157	3.9
451.20987	1.0
452.16064	0.8
453.16614	4.5
454.17188	0.6
455.18002	3.8
456.19302	0.6
460.18396	0.5
462.20029	1.3
464.15994	0.5
464.21921	1.9
465.16565	1.0
469.16183	1.6
471.17453	3.7
472.18668	1.0
473.19016	0.6
474.20242	1.8
482.17084	0.9
483.17416	2.6
484.18246	2.7
485.19257	2.4
490.19464	1.0
492.21341	1.1
501.18982	0.6
502.19507	0.7
503.20224	2.2
506.22885	1.5
522.22516	0.7
523.23218	0.6
524.23956	0.6
534.22504	0.5
548.24084	1.4
558.22290	0.6
566.25018	1.0
572.23309	1.4
574.24908	1.5
576.23718	1.0
586.22614	0.6
588.23425	0.7
590.24774	1.5
591.25543	1.7
592.26630	4.1
593.24567	0.6
594.24689	1.2
595.25153	0.6
599.22571	0.6
600.23334	2.0
606.24329	5.1
607.24451	0.9
608.25946	2.9
616.23206	0.5
617.23987	1.0
618.24469	3.8
624.26331	0.6
627.29187	0.5
631.25415	1.2
632.26019	1.6
634.23560	2.2
635.24677	25.1
636.25482	54.3
637.25867	3.6
649.26361	2.6
650.26959	1.7
653.25665	8.7
654.25989	0.6
666.26428	1.4
667.27289	100.0
668.28009	36.7
669.28705	2.4
693.29767	0.5
695.30908	1.2
711.30585	0.6
713.31445	0.7
721.28430	1.5
729.31091	1.0
739.29993	2.8
753.30847	1.5
757.30688	10.5
789.33252	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	789.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
62.76106	0.7
65.03933	1.3
67.05495	3.5
69.03424	3.5
69.07067	0.6
70.06588	2.0
71.08548	0.6
71.46198	0.6
73.02900	1.1
79.05502	3.6
80.05013	3.0
81.03417	6.1
81.05814	0.8
81.07048	1.2
82.06583	1.8
83.04997	0.7
84.67542	0.7
85.02910	2.8
91.05492	3.3
93.05785	3.1
93.07047	7.0
94.06568	15.1
95.04966	2.7
95.07351	7.8
95.08603	1.8
96.08131	14.3
97.02891	1.9
97.06532	1.9
98.09681	1.3
99.04466	1.6
103.05444	1.6
105.04524	1.2
105.07022	0.8
106.06574	2.0
107.07333	3.7
108.04478	4.5
108.08115	36.8
109.02859	3.5
110.09679	25.4
111.04450	0.9
118.06551	2.1
120.04460	1.8
120.08104	24.8
122.06031	14.0
122.06843	1.3
122.09678	9.1
124.07567	4.0
127.03918	2.2
129.17883	0.6
130.06470	0.6
131.07405	1.1
132.04488	1.6
132.08116	2.3
134.06032	4.9
134.09656	1.1
135.06775	1.1
136.07574	26.6
136.08621	1.4
138.09137	35.3
144.04454	0.8
144.08084	1.8
145.08858	0.8
146.06009	3.2
146.09662	1.5
148.07574	16.5
149.08374	1.3
150.05542	0.9
150.09140	14.5
152.07074	3.8
158.09633	1.3
160.03961	7.0
160.07529	3.3
162.05508	2.1
162.09171	2.1
164.07066	3.8
166.08632	34.2
168.10258	2.0
172.03888	3.1
172.07669	1.0
174.05521	3.1
174.09154	2.4
176.07132	1.1
178.05037	1.1
178.08653	1.0
180.10138	0.9
184.11241	0.8
186.09236	1.6
188.07079	1.6
188.10760	1.2
190.04990	2.2
192.06601	1.5
194.08195	1.1
196.07442	0.7
196.09821	1.2
197.10776	3.0
198.09270	1.4
198.11497	0.9
199.08684	2.8
199.12421	1.3
200.07135	1.2
200.10794	0.9
201.10062	0.7
202.04926	1.0
202.08638	1.4
204.06525	3.5
208.09715	1.4
208.99782	0.6
209.10817	2.2
210.11339	1.5
211.08644	4.5
211.12253	6.1
212.09460	2.1
212.13141	1.1
213.06755	0.9
213.10211	7.2
214.08736	1.1
216.10164	1.2
218.08318	0.8
220.09752	0.9
221.10814	2.0
222.11462	1.6
223.08646	8.9
223.12225	6.3
224.09454	2.6
224.13066	1.9
225.10217	32.4
225.13936	3.7
226.08694	1.2
226.10910	9.7
226.14442	0.7
227.08223	1.1
227.11751	12.2
228.12447	0.9
229.13341	1.5
232.09744	1.3
234.11513	1.0
235.08681	2.9
235.12337	2.4
236.09322	4.7
236.13127	1.1
237.06599	1.0
237.10219	21.0
237.13737	5.7
238.08778	0.8
238.10950	14.6
239.08202	8.9
239.11766	43.7
240.12491	9.0
241.09808	2.0
241.13277	5.0
244.09804	1.5
245.12950	1.0
246.11223	1.1
247.12450	1.0
248.09262	1.2
248.13213	0.8
249.10236	10.3
249.13005	0.9
249.13850	1.0
250.10966	10.7
251.08182	8.7
251.11858	41.5
252.08797	1.8
252.12566	8.7
253.09799	18.4
253.13423	26.4
254.10579	7.3
254.13921	2.0
255.11362	3.5
255.14977	1.1
260.09149	0.9
261.10324	1.8
262.10977	1.4
263.08575	1.4
263.11789	16.7
264.08984	4.0
264.12500	6.4
265.09793	21.7
265.13412	32.8
266.10550	10.5
266.14117	7.7
267.11328	20.9
267.14929	4.7
268.11981	2.0
269.09549	0.9
269.12909	4.6
271.10831	4.1
271.14029	0.8
273.12442	0.7
275.11783	3.3
276.12637	1.4
277.10004	4.9
277.13419	4.1
278.10504	8.2
279.11258	27.0
280.09381	1.1
280.12070	4.1
281.12833	28.0
282.10339	0.9
282.13434	2.6
283.10831	9.8
283.14459	3.6
284.11319	3.3
285.12329	33.9
286.13159	3.4
287.05502	3.2
287.14038	2.9
288.05942	1.5
289.13538	1.1
291.11215	8.3
291.14496	1.1
292.11990	4.3
293.09467	1.8
293.12802	21.8
294.13602	2.9
295.10782	3.4
295.14487	4.9
296.11633	2.6
297.12320	17.2
297.15359	1.1
298.13110	9.5
299.13901	14.2
300.14798	1.2
301.15604	2.1
302.13147	0.7
303.11160	1.6
305.09366	1.1
305.12701	1.6
306.10135	0.8
307.10825	4.7
307.14133	1.2
308.11588	0.9
309.12341	19.9
309.15900	1.1
310.12918	3.5
311.10330	1.4
311.13879	20.6
312.14496	2.0
313.15414	6.5
314.12939	1.0
314.16257	0.8
315.13940	1.3
316.14563	1.6
317.12845	1.0
318.16055	1.1
319.10843	3.8
320.11404	1.5
321.12268	8.6
321.15576	0.7
323.10464	0.9
323.13928	3.0
324.14734	0.7
325.11920	4.8
325.15561	2.3
326.12787	1.8
327.13400	15.7
328.14484	2.9
329.15387	1.6
330.12552	1.4
330.16104	3.4
333.12262	1.5
334.12906	0.7
335.13879	1.2
336.10947	0.9
337.11725	3.8
338.12759	2.8
339.13376	10.6
340.14362	1.6
341.15039	14.1
342.12335	0.8
342.15994	1.8
343.13245	1.5
343.17050	1.3
344.13950	2.3
344.17734	2.6
346.15826	1.4
349.11813	0.8
351.13327	3.1
352.14514	1.5
353.15027	7.8
354.15991	1.6
355.12927	1.4
355.16675	1.9
356.13916	2.7
356.17740	1.4
357.14532	4.2
357.18311	0.7
358.15530	5.2
358.19034	1.5
359.16171	4.6
360.16983	1.9
363.13159	1.0
365.15253	1.3
367.12897	1.0
369.14496	12.0
370.15335	2.1
371.16190	7.8
372.17093	3.2
373.18045	1.3
374.18939	0.9
376.16571	1.0
378.18234	0.8
379.12805	1.1
381.14288	3.1
382.15271	1.1
383.16071	3.5
384.17197	2.4
385.17807	1.3
386.14481	1.2
386.18765	1.7
388.16458	1.6
390.18100	2.1
391.16696	1.1
393.14325	1.6
395.16049	1.5
396.17178	1.4
397.17868	1.0
398.18884	1.0
399.15469	2.2
400.16525	3.0
401.17242	1.4
402.18076	1.9
404.19720	1.9
407.15945	2.3
409.17953	1.5
411.15485	7.6
412.16150	1.6
413.17307	5.5
414.18182	3.3
416.15121	1.1
416.19772	2.1
418.17471	2.7
419.15805	1.0
420.19168	1.3
422.20819	1.3
423.15231	1.6
425.17163	5.7
427.18735	8.6
429.16544	6.0
430.17557	2.3
432.19516	3.0
435.15576	4.8
437.17090	3.2
438.18106	1.2
440.15829	1.0
441.16653	3.8
442.17691	1.7
443.18243	7.1
444.18893	1.5
446.20883	3.6
447.15479	1.7
448.18527	1.5
450.20074	3.5
451.14813	1.0
453.16559	14.9
454.17221	1.1
455.18292	6.8
456.18900	1.2
459.17578	0.9
460.18915	2.1
462.20297	1.9
464.21893	1.0
465.16418	3.7
467.18442	1.3
469.15939	1.9
470.16592	1.0
471.17612	13.7
472.18451	2.0
473.19522	2.4
474.20337	5.0
479.17981	1.0
481.16129	1.9
482.16919	1.2
483.17538	5.4
484.17752	1.4
485.19058	3.6
488.21811	1.0
490.19781	1.8
492.21179	4.8
497.18845	3.3
503.20688	3.2
506.22977	1.4
512.21161	1.2
513.18634	4.2
515.20264	5.8
522.22552	4.9
528.21661	0.9
530.23218	1.1
533.21375	0.9
534.22223	5.5
546.22314	0.9
548.24048	1.3
556.20459	3.1
558.22131	1.4
562.21899	1.3
568.20538	1.5
570.22302	1.4
572.23816	1.6
574.21399	5.0
576.23413	1.9
578.24670	1.0
585.25250	0.9
586.21692	3.9
588.23444	8.1
590.24548	2.1
591.25519	1.3
592.23102	5.9
593.24194	1.4
594.24493	8.9
595.24945	1.3
600.23248	6.8
603.25525	2.6
604.22626	5.3
606.24438	15.4
607.25024	1.3
608.26288	4.1
617.23773	1.2
618.24438	13.9
624.25500	14.6
627.28644	1.0
632.25970	3.6
634.23688	5.0
635.24646	26.9
636.25488	78.4
637.25824	4.3
649.26172	1.1
650.27167	1.8
653.25665	11.5
654.26282	1.5
664.23541	1.0
666.26160	3.6
667.27301	100.0
668.28052	38.4
669.28577	1.9
675.27814	1.4
677.29254	0.8
693.28992	4.4
695.31311	1.8
703.27527	2.6
707.30573	5.1
711.29926	1.4
721.28766	7.5
725.31744	14.1
726.31915	1.6
729.31000	1.5
735.29846	1.5
739.29633	5.4
743.33038	3.6
753.30829	7.9
757.17584	1.3
757.30707	16.3
758.30957	0.9
771.32037	3.7
789.32874	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	790.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28128	1.7
67.05505	3.8
69.07072	1.8
69.92862	5.0
70.06587	11.1
79.05486	2.2
81.07059	5.7
82.06589	2.5
82.88783	1.5
84.08163	7.5
86.09698	2.3
88.07639	3.1
91.05433	1.4
93.07038	3.4
94.06654	1.4
95.08620	4.4
96.08139	5.5
98.09699	4.7
98.23310	2.1
108.08140	2.4
110.09687	9.9
112.11272	3.7
114.27374	1.6
121.02878	3.5
124.11259	3.6
128.10728	7.8
138.12729	2.8
152.92888	1.6
154.15910	1.6
166.16019	1.9
189.01929	1.8
198.14996	1.7
208.16936	11.8
221.04390	1.5
224.16571	2.1
226.18002	46.0
226.20233	2.3
242.17572	4.7
244.19063	19.0
268.19104	2.1
294.05234	2.1
295.06061	10.4
307.05841	7.2
307.09186	1.7
309.07654	2.7
321.07602	5.4
325.07108	5.3
335.09396	2.8
337.07224	4.7
347.09274	1.8
349.07010	3.5
361.07239	3.5
363.08771	2.5
367.08231	2.4
373.07352	1.9
375.08942	2.7
379.08466	2.4
388.23569	2.7
391.08173	4.0
409.08987	3.3
562.25012	2.5
592.25232	1.9
616.25488	2.6
691.22223	1.8
700.29565	2.4
736.29456	1.7
754.30609	3.6
772.31250	7.7
790.32727	100.0
791.32574	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	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.0
57.03423	10.8
67.05503	52.3
69.07066	14.8
69.24672	6.1
69.25080	14.1
79.05482	29.7
81.07060	46.9
81.88161	3.5
83.08588	4.2
91.05470	16.7
93.07044	33.5
95.08618	36.9
95.34179	3.7
99.08015	4.0
105.07008	16.7
107.08575	17.9
109.10136	19.4
117.07003	8.0
117.62197	3.5
119.08561	12.1
121.10131	14.5
123.11707	5.7
131.08572	8.1
133.10126	10.0
135.11697	11.5
145.10077	4.6
147.11670	7.3
149.13243	10.1
159.11713	9.9
161.13251	5.1
241.19536	4.1
243.20985	6.0
259.20453	5.3
261.22147	16.3
333.24191	5.7
335.25775	100.0
336.26028	4.8
337.27228	7.0
348.79889	4.3
533.34503	3.3
595.46692	12.5
613.48322	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05514	7.3
57.03180	0.4
57.03440	4.8
57.03716	0.2
57.07079	1.5
61.02921	1.3
64.37827	0.3
65.03944	1.3
67.05502	30.7
69.03436	0.5
69.06709	0.4
69.07067	7.7
69.62735	0.9
69.63120	0.6
71.04991	0.8
71.08630	0.4
73.02884	0.3
76.31876	0.3
77.03918	0.5
77.92017	0.2
79.05489	19.8
81.03387	0.4
81.07053	28.8
82.07397	0.5
83.04985	0.6
83.08620	4.2
85.02897	1.3
85.06532	1.1
88.68246	0.3
91.03944	0.8
91.05476	10.6
93.07042	21.7
95.04952	2.4
95.08604	24.6
97.02868	0.7
97.06525	1.3
97.10149	2.2
99.04429	0.3
99.08079	0.7
103.05466	0.3
105.04501	1.1
105.07023	8.6
107.08589	11.4
109.06502	0.7
109.10154	12.3
110.10481	0.3
111.08093	0.7
111.11700	0.7
113.09633	0.5
117.07025	3.3
119.06124	0.3
119.08579	7.9
121.10138	11.6
122.10480	0.3
123.08069	0.8
123.11699	5.6
125.09599	0.5
129.06993	0.9
131.08560	5.7
133.10130	7.8
135.11684	9.2
137.09631	0.4
137.13240	1.9
139.11191	0.5
143.08549	0.8
145.10112	5.3
147.11673	5.9
149.13245	6.1
151.11121	0.5
151.14778	0.6
157.10115	1.1
159.10393	0.3
159.11682	5.8
161.13248	6.2
163.11238	0.5
163.14822	3.2
165.12807	0.5
169.10065	0.3
171.11644	1.6
173.13263	4.8
175.14807	3.2
177.12740	0.4
177.16342	1.3
179.14355	0.4
185.13255	1.7
187.14822	2.2
189.16382	1.0
191.14285	0.5
191.17897	0.5
199.14824	1.1
201.16333	1.6
201.25780	0.3
203.18005	0.5
205.19386	0.3
213.16396	0.5
215.17941	1.0
217.19435	0.4
219.17480	0.6
231.17345	0.4
231.21077	0.4
233.22659	0.5
241.17805	0.3
241.19568	3.1
243.21071	5.3
245.22646	0.5
247.20651	0.4
257.19043	0.6
259.20566	8.0
261.22128	16.4
262.22513	0.5
263.23712	1.9
273.22165	0.7
275.23633	0.4
277.21677	0.6
279.23239	0.8
285.21906	0.4
291.23172	0.3
299.23676	0.6
301.25394	0.4
309.24371	0.3
313.21631	0.3
315.23135	0.9
317.24704	3.5
323.25986	0.4
333.24225	7.0
335.25781	100.0
336.26123	3.4
337.27368	11.5
341.28348	0.3
347.25650	0.5
353.26962	0.4
355.30081	0.5
365.49451	0.3
415.32205	0.4
425.34692	0.3
497.30899	0.3
503.42557	0.6
517.38879	0.5
521.43726	2.1
529.39362	0.4
539.44440	0.6
543.40503	0.6
595.47168	15.6
596.47052	0.8
613.48218	13.2
614.48669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.1
61.02927	6.0
65.03941	1.0
66.60608	0.9
67.05504	7.3
68.05009	1.2
69.03424	5.2
69.07040	4.1
69.28900	4.4
70.06590	24.5
70.07382	0.9
71.01317	1.4
71.04968	3.4
71.06908	2.2
73.02905	6.2
79.05481	6.9
81.03418	4.4
81.07059	8.9
81.52704	0.8
82.06589	1.4
83.08595	1.5
85.02911	6.6
85.06540	0.9
91.03932	4.2
91.05486	6.7
93.07048	6.9
95.04949	1.4
95.08595	3.7
97.02897	5.8
99.04436	1.0
101.02385	1.6
105.07001	4.2
107.08551	3.9
109.10139	2.4
112.07576	1.2
117.06983	1.2
117.10510	1.1
119.08530	3.1
121.10096	4.3
127.03923	1.4
131.08559	1.2
133.10120	3.0
135.11642	2.0
145.10039	1.4
147.11655	2.2
149.13213	1.1
157.10150	1.5
180.68454	1.0
183.13515	1.0
211.08546	1.0
236.16368	1.4
238.17932	2.2
243.08435	2.8
254.17381	3.0
255.17778	2.0
283.15073	3.4
299.20212	1.0
315.10349	1.3
335.25626	2.2
427.19110	1.2
485.23270	2.6
501.22955	7.0
535.28400	4.3
551.27509	2.9
556.50897	1.1
588.42120	2.5
589.42798	4.7
632.44714	1.9
633.45801	6.2
751.48206	1.3
777.48590	3.1
794.50836	6.1
795.44476	100.0
796.44910	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	800.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	5.1
58.06600	2.6
59.04993	0.3
67.05462	0.3
69.07066	9.8
69.20537	1.3
69.27065	0.3
70.06580	0.3
71.08627	3.0
73.27855	0.2
75.76967	0.2
81.07005	0.5
83.08616	6.7
85.10172	1.1
86.09666	0.3
97.10164	5.1
98.23487	0.3
111.11701	1.6
125.13242	0.5
268.29977	86.5
269.30542	1.5
273.89651	0.2
275.35110	0.2
284.29532	0.4
286.31033	100.0
287.31415	2.0
292.00104	0.3
302.21237	0.2
530.46112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.5
66.52534	0.9
67.05500	2.4
69.03450	0.8
69.07084	3.9
69.42760	1.9
69.43142	2.5
70.06586	9.1
79.05505	3.1
79.86929	0.8
81.07063	3.0
82.06596	2.5
84.08164	0.8
85.02903	0.8
91.05515	2.5
93.07046	2.3
94.06554	4.7
95.08583	1.4
96.08131	3.9
105.07032	1.6
105.42241	0.8
107.07358	3.8
107.08604	1.1
108.08138	6.1
109.08922	1.3
110.09715	2.0
112.07614	1.4
119.04987	1.2
119.08562	1.7
120.08145	3.0
121.02863	5.3
122.09656	4.8
124.11243	2.1
127.09948	2.1
134.09657	2.1
136.11223	1.1
140.10696	2.3
145.10094	0.9
147.04335	1.1
189.01862	1.3
192.17558	1.4
202.16011	1.7
203.03348	1.8
207.02939	1.4
215.03378	1.6
218.15443	5.2
220.16965	29.5
221.17551	1.1
236.16461	1.1
238.18021	38.7
256.19086	19.5
256.53418	0.9
283.05954	1.1
294.05334	3.5
295.05994	12.2
295.09207	1.1
297.07651	2.3
307.06085	11.2
308.06921	2.5
309.07440	5.3
313.07214	1.6
320.06598	1.4
321.07474	6.8
322.08478	1.3
323.09244	1.6
325.07050	10.8
327.08612	2.0
333.07831	3.9
335.05835	0.9
335.09323	3.8
337.07095	8.6
339.09018	1.6
345.07651	1.7
349.07037	6.3
351.08752	2.1
361.06940	6.2
363.08780	3.2
367.08136	2.4
373.07114	3.5
375.08725	2.8
379.08200	5.7
387.08578	1.4
391.08099	9.4
393.09714	1.3
400.23547	2.8
403.08249	2.4
409.09430	2.6
427.10449	1.4
433.09018	1.6
439.10629	1.0
494.58560	0.8
520.26605	0.8
562.24792	1.2
574.23090	1.1
616.25897	1.2
633.69330	1.2
646.26465	1.0
664.27582	1.1
712.29584	6.5
737.29779	1.0
766.30688	4.0
784.31531	16.9
791.95526	1.1
802.32733	100.0
803.33545	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	803.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43490	1.6
59.47284	1.5
65.03954	1.5
67.05531	2.9
69.03428	1.5
69.36013	3.4
69.36411	5.6
70.06593	6.1
79.05492	2.7
81.03413	3.8
81.07044	1.7
84.08152	2.3
85.02923	2.5
89.17979	1.5
91.05455	2.5
93.07051	3.7
94.06569	6.7
96.08129	5.2
97.02898	2.6
106.06597	1.8
108.08128	11.8
109.02892	4.3
110.09676	7.5
116.04979	2.0
117.05782	1.8
119.04925	1.9
120.04492	1.9
120.08077	8.7
122.06046	10.2
122.09673	5.8
124.07594	5.1
127.03944	3.3
134.06075	1.6
136.07578	16.4
138.09154	9.5
144.04494	5.4
145.10092	1.9
146.06033	13.6
147.11734	1.5
148.07584	6.4
150.05508	2.3
150.09152	4.0
160.03967	2.6
160.07652	1.6
162.05511	7.7
164.07114	3.9
166.08612	15.9
167.07069	5.9
170.09679	5.0
172.03958	17.2
174.05527	7.0
186.09215	2.2
187.12350	4.2
190.05028	9.9
198.09178	21.6
200.09358	3.5
204.06572	30.6
210.09206	3.0
211.12328	3.8
212.10747	7.1
213.10152	2.8
215.11806	21.1
216.10216	2.4
225.10226	3.0
226.08601	6.5
226.10841	1.9
227.08128	3.3
227.11784	8.7
232.09628	2.1
236.09332	1.9
237.10249	2.4
239.11775	3.3
240.08737	2.5
241.09756	16.0
241.13425	2.9
242.10518	2.8
243.11281	98.5
243.67445	1.6
244.09584	3.6
251.11798	2.6
253.09738	3.8
255.11304	34.8
256.12155	2.5
257.12918	7.5
264.08890	2.3
265.09692	2.9
267.11404	1.8
269.09299	3.1
269.12759	1.8
279.11313	4.8
281.12799	1.8
283.10779	16.5
284.11755	2.9
285.12335	100.0
286.12775	2.2
291.08011	2.0
295.10806	2.2
297.12335	6.1
297.78326	1.7
301.11969	2.8
303.13516	9.8
307.10742	4.5
309.12381	1.8
325.11783	13.7
343.12936	3.3
345.14142	2.7
357.14505	3.7
358.15405	2.2
359.16077	2.9
367.14304	1.7
393.14478	3.8
403.15594	1.6
411.15540	5.5
414.14676	2.0
417.15372	3.8
427.15067	7.5
429.16641	13.0
445.15991	5.7
447.17633	16.9
456.15591	2.1
457.15860	2.2
470.17136	4.9
474.16507	2.0
544.20148	2.7
562.21765	2.0
588.19873	3.2
598.23755	1.9
600.19281	2.8
609.23077	3.7
618.20306	2.6
681.24310	2.7
689.25671	2.8
707.26691	5.0
725.27454	3.0
727.29169	1.8
735.26477	7.1
739.29132	2.4
753.27484	8.0
757.31299	2.7
767.29248	2.7
771.28473	18.7
785.30225	32.6
786.30127	2.7
803.29199	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	804.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04999	1.4
57.03416	0.9
57.85143	0.4
58.06600	5.5
61.02917	0.5
67.05505	7.7
68.17072	0.4
69.03418	0.4
69.07063	2.7
70.06596	25.9
70.06977	0.9
79.05489	4.7
81.03400	0.8
81.07057	10.2
82.06578	3.1
83.04965	0.5
83.08582	1.2
84.04465	1.2
84.08106	1.4
85.02878	1.0
85.06525	0.6
86.06026	0.6
90.40190	0.4
91.05481	2.0
93.07051	4.3
94.06538	1.6
95.04949	0.7
95.07314	0.4
95.08614	9.2
96.07633	0.4
96.08134	5.0
97.06476	0.6
97.08899	2.5
97.10148	0.6
98.09665	2.5
98.23441	0.9
105.07022	2.1
106.97912	0.4
107.08589	2.0
108.08089	0.9
109.02860	0.7
109.10124	1.9
110.09689	4.5
111.08051	0.6
114.09176	3.1
119.04922	1.2
119.05753	0.4
119.08533	1.4
121.02865	7.9
121.10111	1.6
122.09663	0.6
123.08041	0.6
124.11218	0.6
131.08521	0.5
140.10742	0.7
145.02829	1.1
145.10085	0.7
147.11708	0.4
148.11018	0.5
152.14282	0.8
165.00180	0.4
169.96246	0.5
187.03951	0.9
189.01834	2.5
191.03345	1.3
194.19020	1.5
195.02902	0.6
195.19820	0.5
203.03380	1.8
205.04984	0.6
207.02885	1.6
213.78854	0.4
215.03380	0.8
217.04951	0.8
218.15347	0.9
219.02869	1.2
220.16956	3.0
221.04411	0.8
222.18527	63.9
223.18909	1.1
227.03363	1.1
229.04921	0.5
231.02950	0.8
233.04359	0.7
238.17976	4.6
240.19589	50.0
241.19878	1.2
243.02878	0.8
245.04468	0.5
256.19101	2.4
258.20673	10.7
267.06592	0.7
273.03763	0.5
279.06647	0.8
280.07217	0.6
281.08066	2.1
282.20758	1.7
283.05841	2.2
284.06720	0.7
284.95572	0.5
291.06451	0.6
292.07446	0.7
293.07895	1.1
294.05240	5.0
295.06024	16.1
296.06723	1.3
297.07556	4.1
298.08304	0.7
305.08115	1.0
306.20895	0.5
307.06015	16.5
308.06860	3.8
309.04260	0.6
309.07565	9.4
311.09265	0.6
312.21530	0.7
313.07031	1.9
317.08240	1.0
319.06119	2.7
320.06732	2.5
321.07590	9.9
322.08179	0.9
323.05551	1.2
323.08914	0.9
324.21609	0.6
325.07056	14.6
327.08606	3.9
329.08081	0.8
331.09723	0.5
333.07553	5.1
334.08206	1.1
335.05469	1.1
335.09100	5.3
336.06216	0.7
337.07043	14.0
338.07541	0.6
339.08698	2.2
345.07596	3.9
347.09167	1.9
349.07053	7.0
350.07913	0.9
351.05014	0.6
351.08725	4.4
355.08136	1.3
359.09082	0.6
361.07034	8.1
361.11249	0.7
362.07574	0.7
363.08646	7.0
367.08203	3.2
373.07074	5.1
375.08554	2.2
377.06314	0.9
379.08112	8.0
381.09915	0.9
384.23730	3.8
387.08472	0.9
391.08133	13.0
393.09723	2.3
402.24969	1.7
403.08154	2.3
405.09641	1.0
409.09137	5.8
415.08203	1.4
421.09216	1.3
427.10251	1.3
429.10580	0.5
433.09326	1.6
439.10233	1.2
445.09265	1.3
457.09109	0.7
475.10269	1.2
493.11584	0.8
546.25104	0.8
548.26630	0.6
558.24939	1.8
564.26306	0.9
576.25897	2.5
588.26239	0.9
594.26532	1.0
600.26172	2.4
606.27155	0.7
612.26038	2.5
618.26910	1.0
630.26868	2.3
648.28259	1.4
666.29108	1.3
696.29578	0.7
712.97382	0.5
714.31012	8.8
715.31323	0.5
744.32166	1.8
750.31317	1.1
768.32019	5.1
786.33270	29.2
787.33771	1.8
804.34344	100.0
805.34753	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	804.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	4.5
65.07561	0.6
67.05499	5.5
69.03438	0.8
69.07076	2.5
69.24929	1.9
69.25340	1.8
70.06590	19.3
79.05508	3.0
81.03444	0.7
81.07050	9.0
82.06596	2.0
84.08151	1.4
91.05484	1.9
93.07053	3.1
94.06558	0.9
95.08598	7.5
96.08115	4.2
97.08942	1.2
98.09721	1.6
105.07050	2.0
107.08621	1.7
107.67649	0.7
109.10139	1.9
110.09698	3.0
114.09177	2.0
119.04949	1.7
119.08572	0.9
121.02856	7.0
121.10171	1.4
124.11241	1.0
145.02856	1.7
160.18243	0.8
187.04073	0.8
189.01926	2.7
191.03484	0.8
194.18958	1.0
195.02936	0.9
203.03484	1.6
207.02942	1.4
215.03459	1.0
220.17055	3.1
222.18518	48.9
238.18114	3.2
240.19577	33.4
243.03024	0.7
245.04451	1.0
256.19193	0.9
258.20654	6.8
279.06586	1.4
281.08185	1.2
282.20831	0.8
283.06036	1.6
293.08173	1.2
294.05234	4.0
295.06024	14.2
295.09088	1.1
296.06784	1.7
297.07715	3.1
306.20697	0.8
307.05981	14.6
307.09210	1.3
308.06845	2.8
309.07516	7.6
313.07101	2.0
317.08185	1.1
319.06067	1.6
320.07031	1.7
321.07489	7.3
323.09390	1.6
325.07065	12.3
327.08591	4.5
329.08286	1.1
331.05875	0.7
333.07623	6.9
334.08466	1.5
335.05762	1.0
335.09097	3.3
336.06662	1.1
337.06989	10.0
339.08698	2.7
345.07797	2.1
347.09341	1.6
349.07019	6.5
351.08527	4.0
359.09293	0.8
361.06808	5.2
363.08618	4.5
367.08118	1.9
373.07156	3.0
375.08920	2.3
379.08121	6.3
384.23929	2.9
387.09021	1.1
391.08142	8.7
393.09982	2.0
402.24997	2.1
409.09018	4.4
411.10883	1.0
415.08502	1.1
421.09290	1.4
427.10214	1.9
433.09033	1.2
442.68771	0.8
445.09372	1.3
463.10751	1.0
475.10886	0.9
493.11453	0.9
546.24817	0.8
551.29578	0.7
576.26160	2.0
600.26154	1.4
612.25690	1.3
630.27252	2.5
714.31226	5.3
738.31897	1.0
744.32422	1.0
750.30640	0.9
768.32196	4.9
786.33264	24.9
787.33441	1.1
804.34296	100.0
805.35095	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	804.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24123	1.1
57.03447	1.3
58.06597	4.8
58.19065	1.3
65.90903	1.4
67.05502	7.4
70.06590	22.3
71.44530	1.6
78.29355	1.4
79.05509	3.6
81.07051	7.4
82.06622	2.1
84.08155	2.3
93.07050	3.8
95.08619	8.4
96.08131	4.4
97.08909	2.1
98.09712	2.6
107.08623	1.8
110.09690	3.6
120.17184	1.3
121.02886	5.9
128.10629	1.5
142.84064	1.4
145.02872	1.6
194.19031	1.5
203.03488	1.7
220.16997	3.1
222.18517	50.3
223.18890	1.9
238.18132	5.7
240.19572	45.0
256.19058	3.0
258.20514	9.7
282.20676	2.1
283.06207	2.4
294.05344	4.4
295.06039	17.5
296.06863	1.6
297.07635	5.9
305.98361	1.5
307.06012	17.9
308.06955	2.7
309.07504	8.8
320.06870	2.1
321.07498	8.7
325.07059	12.2
327.08820	3.7
333.07690	5.9
334.08041	2.0
335.09207	2.5
337.06870	9.3
339.08881	3.0
345.07626	3.3
349.07019	8.1
351.08951	3.9
361.07184	5.5
363.08765	5.0
367.08377	3.3
373.07306	2.5
375.08765	3.1
379.08142	5.8
384.23987	3.7
391.08032	11.4
393.09567	2.3
402.20013	1.7
405.10034	2.3
409.09348	4.6
415.08713	2.2
421.09641	1.8
451.10049	1.4
564.26337	2.2
576.25745	2.3
600.25537	2.8
630.26526	3.1
714.30878	6.4
750.32208	1.7
768.32501	5.6
786.33264	25.3
787.33545	2.1
804.34302	100.0
805.34351	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	804.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	0.7
68.05021	0.6
69.37540	0.3
69.37930	0.5
70.06591	100.0
71.06907	0.6
72.08154	5.3
84.08122	1.0
86.09721	0.5
98.06052	22.3
98.22787	0.4
110.07184	0.2
116.07119	0.7
126.05514	16.2
127.08672	5.6
129.10251	0.7
136.07654	0.2
137.07170	0.2
139.08690	0.3
145.06093	0.2
151.12285	1.2
155.08148	5.3
157.09715	3.7
163.07112	1.8
165.10223	0.3
167.08102	0.3
167.11797	5.6
169.13368	2.4
177.10175	0.8
179.11859	0.4
181.13356	1.1
185.09203	3.4
193.12241	0.4
195.11296	8.4
197.12885	0.9
209.12910	0.6
212.13985	0.3
224.13905	0.4
226.15541	0.4
237.12376	0.3
238.12918	0.2
242.11472	0.5
248.17584	0.4
252.13376	1.8
254.15001	2.3
260.12411	12.0
264.13406	0.3
264.17102	0.3
266.18741	0.5
282.14435	1.6
294.18207	0.5
323.20712	1.1
325.28491	0.2
338.78220	0.2
339.16672	0.5
349.18738	0.3
351.20291	4.5
357.17676	14.6
358.18097	0.4
363.24207	0.3
367.43286	0.2
420.26199	0.6
430.24524	0.2
436.21976	0.3
448.25586	3.7
454.22955	11.7
455.23230	0.4
468.34259	0.2
545.30737	1.2
551.28217	12.1
552.28705	0.5
611.95300	0.2
616.01715	0.2
648.33502	25.5
649.33771	1.1
705.36255	0.9
711.38495	0.2
729.39099	0.6
786.40253	0.2
804.42529	14.2
805.42523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38741	0.3
69.57962	0.3
70.17548	0.5
72.96255	0.3
85.02882	0.6
97.02892	0.6
101.00855	0.3
109.97033	0.4
116.46925	0.3
119.01900	1.0
120.95439	1.0
126.42751	0.3
127.03936	0.3
131.01868	0.4
132.52110	0.3
138.96416	1.0
143.01904	1.2
145.03468	0.6
145.04854	0.3
155.01875	1.2
156.97482	4.1
161.02931	1.1
167.01915	0.7
173.02994	1.4
174.98511	3.4
180.97446	13.0
181.14957	0.3
182.99080	0.9
185.02943	2.5
187.04659	0.4
194.99028	0.4
197.02940	0.8
198.98526	100.0
199.98657	2.7
201.00168	0.5
203.04013	0.9
208.28668	0.3
209.00598	0.3
210.98511	3.3
213.00041	1.1
215.04065	0.4
216.99582	27.7
217.99796	0.6
221.04936	0.4
222.00172	2.1
222.98495	1.3
225.00153	1.3
227.03992	0.5
228.99603	9.8
234.98520	3.1
235.38373	0.3
240.01093	0.6
240.99583	18.0
241.99713	0.6
243.01198	0.7
245.05060	4.8
247.00751	1.6
252.99632	2.6
256.00653	0.4
259.00647	8.5
263.06189	0.7
264.99533	0.7
271.00491	1.3
275.06128	0.4
277.01746	1.5
282.01984	0.4
283.00601	9.6
301.01666	23.8
302.01773	0.8
319.02713	6.7
323.14417	0.3
342.04230	0.4
343.02481	0.6
361.03000	0.5
365.09555	0.4
373.03598	0.4
382.04355	0.5
390.91629	0.3
394.92657	0.3
437.90170	0.3
463.06934	71.5
464.07162	2.7
481.07785	2.3
504.09567	0.5
523.08319	0.7
775.16718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09116	0.5
58.98013	0.6
61.77716	0.5
62.39685	0.5
65.03940	0.8
67.05512	4.3
69.03432	1.3
69.07067	0.8
70.06596	1.3
77.03918	0.6
79.05486	4.3
80.05006	2.8
81.03419	3.1
81.05801	1.1
81.07034	0.6
82.06573	1.7
83.04988	0.6
85.02879	1.1
86.09676	0.6
91.05466	5.2
93.05767	1.6
93.07044	9.1
94.06569	13.5
95.04953	3.7
95.07346	9.2
95.08591	0.9
96.07523	1.0
96.08131	17.4
97.02874	1.8
97.06532	0.9
103.05455	2.2
105.04521	1.1
105.05779	1.2
105.06997	0.8
106.06554	5.7
107.07354	5.2
107.08583	0.8
108.08115	21.7
109.02871	2.9
109.08894	1.5
110.09679	33.4
111.04413	0.8
117.07034	0.9
118.06516	1.0
120.04502	0.7
120.08103	43.6
121.06557	0.9
121.08897	7.0
122.06025	9.1
122.09663	23.4
123.06794	1.3
124.03960	0.9
124.07603	0.8
127.03889	2.2
129.07021	0.7
131.07361	1.0
132.08115	2.5
134.09656	7.8
136.07567	8.4
137.08333	0.9
138.09137	100.0
139.09497	1.3
144.08116	1.6
145.08932	0.6
146.09627	3.5
147.10466	0.6
148.03952	0.8
148.07573	4.8
149.08347	1.3
150.09138	8.6
152.07060	0.8
152.10696	6.8
157.08853	1.0
158.09637	1.8
159.10484	0.6
160.07591	1.8
162.09148	3.1
164.10716	1.4
166.08615	5.0
168.10298	0.7
170.09714	1.0
171.10477	0.7
172.07596	1.0
172.11296	1.2
174.09143	6.5
175.09959	0.6
176.10703	1.1
178.08623	2.1
180.10184	24.1
182.09630	0.8
184.11275	1.4
185.08456	0.7
186.09140	1.7
187.09969	4.1
188.10733	1.3
192.10214	1.6
194.09872	0.5
194.11778	0.6
194.55763	0.5
196.11246	0.7
197.10771	2.1
198.09169	1.4
199.09949	2.1
199.12358	1.0
200.10780	4.4
201.10353	0.9
202.08632	2.0
202.12277	1.5
204.10178	1.4
206.11766	1.9
208.09747	1.3
209.10773	0.6
210.09204	1.0
211.08731	1.1
211.12274	0.5
212.10687	1.8
213.06584	1.4
213.10100	2.8
215.09737	1.0
215.11755	1.2
216.10181	1.5
218.11839	1.0
220.09660	1.4
222.07661	0.6
222.11314	0.8
223.08670	1.4
224.10788	1.2
225.06659	1.2
225.10179	7.2
226.08786	0.8
226.10747	1.3
227.08221	4.2
227.11725	4.5
228.10405	3.9
230.11751	21.4
231.12447	2.4
232.13353	0.9
237.06566	0.9
237.10179	3.3
238.10765	0.9
239.08167	4.3
239.11804	6.0
240.08923	2.2
241.09711	7.7
241.13396	1.5
242.10414	3.7
243.11240	2.2
246.11263	12.0
248.12888	1.3
249.10286	0.9
251.08180	3.6
251.11841	1.2
252.08844	2.5
253.09705	16.3
254.10362	2.6
255.07541	0.8
255.11285	13.9
256.12067	0.8
257.12805	1.3
265.09717	7.3
265.12686	0.9
266.10480	1.6
267.07806	1.7
267.11264	13.9
268.08722	0.9
268.12015	1.6
269.09253	2.2
269.12863	4.9
270.10013	1.7
271.10834	1.8
271.14465	0.5
279.07565	1.4
279.11301	1.4
280.08508	2.3
281.09195	6.1
281.12454	0.9
282.09927	1.4
283.10831	4.3
285.12354	4.0
286.09222	0.5
287.10278	1.0
287.13745	1.1
293.09155	3.0
295.10779	9.4
296.11646	0.9
297.09045	0.7
297.12244	7.3
298.09482	1.1
299.10251	3.5
299.13443	0.8
300.11057	0.5
301.11887	2.0
311.10306	4.9
312.10748	0.9
313.11829	16.4
314.12146	1.5
315.13437	4.4
321.08698	1.5
323.10275	4.1
325.11823	4.8
327.13483	1.0
328.14371	0.8
339.09848	2.5
341.11377	3.3
343.12872	2.4
353.11337	2.5
355.13071	4.0
357.14417	2.7
359.12460	1.1
371.12308	3.2
372.12994	1.0
372.17209	0.6
373.13983	4.2
374.14413	0.8
375.15750	0.8
376.16394	0.7
383.12546	0.7
385.13889	3.0
386.14694	0.8
387.15735	0.8
413.13354	1.1
415.15012	2.7
416.16168	0.7
417.16458	1.1
418.17648	0.7
420.19095	0.7
427.14789	0.9
439.15054	2.0
441.16669	1.8
443.14407	1.4
444.15277	1.1
445.16162	4.2
446.16867	0.8
455.14383	0.6
457.15997	3.2
458.16757	1.0
459.17447	2.1
460.18481	0.9
465.12735	0.7
467.14221	1.7
469.15991	2.9
473.15387	0.7
475.16971	1.8
478.20233	0.8
483.13983	1.1
485.15375	2.9
487.16998	4.2
497.15674	1.2
499.16940	1.7
501.18433	1.0
515.16528	2.3
517.18121	3.0
519.19800	0.9
528.21014	0.6
538.21960	1.1
546.22443	1.0
566.21417	5.3
570.21515	0.9
586.22375	0.7
587.22894	2.5
588.22827	2.1
590.20966	1.6
598.23981	17.9
599.23914	0.8
601.23706	1.3
604.22736	1.9
605.23468	2.2
606.23560	2.3
608.22571	7.0
611.24554	0.6
618.24335	1.0
619.24780	1.4
620.25458	0.7
622.24323	2.7
624.25366	1.3
629.25409	1.0
637.25818	1.6
640.24872	6.0
652.24982	3.9
657.28546	1.0
664.24554	1.0
665.29395	2.5
666.27350	1.2
671.26978	1.8
682.26147	1.5
683.30023	1.7
684.28198	1.4
685.28668	0.6
691.27429	6.2
709.28583	11.6
710.29108	1.0
711.29034	0.9
719.27057	0.9
723.30322	11.2
724.29871	0.7
727.29639	11.7
728.29218	0.8
737.28174	5.3
741.31207	14.2
742.30853	1.4
745.30859	10.7
746.30939	0.9
755.29205	6.6
759.32208	11.9
769.30420	3.5
773.30182	28.1
774.30237	1.9
777.33435	11.0
787.31665	3.4
805.32397	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35172	0.4
67.05509	3.5
69.03403	0.7
69.56705	1.1
70.06554	1.5
72.08121	0.6
77.60740	0.4
79.05455	1.9
80.04964	0.5
81.05759	0.6
81.07018	0.9
82.06547	0.5
84.08149	0.5
85.02879	1.0
91.05442	0.8
93.07020	1.0
94.06564	5.5
95.04948	1.0
95.07315	1.2
95.90643	0.4
96.08139	5.8
105.07054	0.4
106.06519	0.5
107.07291	0.7
108.04484	3.9
108.08126	5.7
110.06036	3.3
110.09681	5.3
112.71156	0.4
120.08108	5.0
122.06033	12.5
122.09637	0.5
124.07598	22.3
136.07570	3.0
138.09132	7.8
140.07063	0.4
142.08643	4.4
148.07515	1.9
150.05487	0.5
150.09084	1.7
160.03917	2.2
166.07289	0.5
166.08644	10.5
168.06561	0.5
172.03902	0.6
199.08597	0.5
202.04912	0.8
204.06413	0.4
211.08630	0.5
211.12280	0.8
213.10141	0.8
223.12277	0.8
225.10194	2.3
225.13686	0.5
226.10988	1.4
227.11717	1.4
235.08629	0.6
235.12308	1.1
236.09340	1.1
237.10188	5.1
237.13831	0.8
238.10982	1.9
239.08055	1.3
239.11736	6.3
240.12480	1.4
241.13438	0.6
248.09424	1.7
249.10257	2.7
250.11057	1.6
251.11809	15.4
252.08971	1.0
252.12468	1.2
253.09714	5.8
253.13330	8.3
254.10333	2.9
254.14053	0.5
255.11421	0.6
263.11795	15.5
264.09332	0.5
264.12524	2.4
265.09714	9.6
265.13315	5.6
266.10501	2.2
266.13574	0.4
267.11288	27.5
268.12027	1.0
269.12872	0.8
275.11658	0.5
277.09711	2.5
278.10489	2.1
279.11301	19.6
280.11896	1.4
281.12839	20.9
282.13354	1.0
283.10904	2.5
283.13699	0.5
285.12378	4.4
286.13144	0.6
291.11292	7.8
292.12051	1.3
293.12784	5.8
295.10770	1.5
295.14261	1.0
297.12354	3.2
298.13147	0.8
299.13861	4.6
307.10767	18.2
307.14285	1.1
309.12320	23.7
310.12866	1.7
311.13843	4.3
319.10733	6.5
320.11526	1.6
321.12381	2.8
323.13858	0.7
325.11807	2.5
327.13351	7.4
337.11728	3.0
338.12173	0.5
339.13370	5.6
341.15118	2.5
351.13373	4.2
352.14053	1.6
353.14908	2.1
357.14545	1.6
359.16028	2.1
369.14536	3.3
371.15927	0.7
390.18173	0.6
402.17984	0.5
404.19638	1.0
406.17618	4.6
418.17703	1.1
420.19177	15.6
421.19345	0.6
430.17349	2.2
431.15927	0.9
432.19156	10.7
448.18680	39.0
449.19000	1.7
460.18671	12.1
480.21323	100.0
481.21753	3.2
492.21286	49.2
493.21567	2.5
567.25446	0.6
585.53784	0.5
595.24847	0.6
613.26599	10.6
614.26733	0.6
627.27710	3.7
645.29163	68.7
646.29236	2.9
695.71423	0.5
739.28748	1.1
775.31708	0.7
806.46698	0.6
807.39380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04849	0.3
66.44302	0.4
67.05499	2.4
69.03391	1.0
70.06548	1.3
72.08139	0.4
79.05452	1.5
80.04976	1.0
81.03378	0.5
82.06547	1.0
84.08111	0.7
85.02867	1.4
86.09661	0.5
91.05458	1.6
93.05736	0.3
93.07026	3.1
94.06564	6.4
95.07357	3.0
95.08568	0.8
96.08132	5.7
96.15163	0.3
97.02873	0.6
97.06540	0.5
98.43772	0.3
103.05429	0.4
105.04473	0.4
106.06564	0.5
107.07321	0.7
108.04469	1.8
108.08110	6.0
110.05981	0.4
110.09671	11.4
118.06516	0.6
120.08105	8.2
122.06020	8.1
122.09612	1.4
123.48575	0.4
124.07555	0.8
131.07333	0.3
132.04469	0.8
132.08139	0.4
134.05981	2.4
136.07573	6.1
137.08304	0.6
138.09132	16.5
139.09410	0.4
146.05992	0.8
147.04385	0.5
148.07564	3.9
150.09117	4.1
152.07066	1.8
155.11801	0.4
159.04108	1.4
160.02687	0.5
160.03931	6.9
160.07487	0.4
161.04236	0.3
162.05476	0.6
164.07060	3.9
166.08630	28.8
167.09000	0.6
168.10144	0.7
169.60374	0.3
172.03825	0.8
174.09167	0.5
177.05452	0.4
178.05000	2.0
181.32097	0.4
189.05144	1.0
190.04933	1.0
190.08702	0.3
192.06627	0.4
197.10664	0.6
198.11537	0.4
199.08617	1.8
204.06529	1.2
209.10768	0.4
210.11203	0.5
211.08603	2.3
211.12274	1.3
212.09355	0.5
212.12917	0.4
213.10199	1.7
218.07996	0.6
221.10730	0.7
222.11478	1.1
223.08698	3.0
223.12263	1.1
224.09442	1.1
224.13066	0.8
225.10214	10.7
225.13806	0.9
226.10976	5.1
227.11766	4.1
229.13284	0.5
235.08621	1.8
235.12247	1.4
236.09438	1.0
236.13016	0.8
237.10213	4.6
237.13745	2.6
238.10916	3.3
239.08116	5.4
239.11771	11.8
240.08704	0.6
240.12563	3.3
241.09666	0.5
241.13290	1.0
243.14906	0.5
247.12282	1.0
248.09491	1.3
248.12982	0.6
249.10193	5.0
249.13863	0.5
250.10977	5.9
251.08144	4.2
251.11766	13.1
252.08875	1.1
252.12592	3.6
253.09711	4.5
253.13321	10.0
254.10484	9.6
254.14194	0.5
255.11166	1.2
255.14809	0.8
262.11044	0.6
263.11768	12.3
264.08994	0.7
264.12527	5.6
265.09760	4.9
265.13327	19.4
266.10556	2.6
266.13837	2.2
267.11240	5.7
267.14853	2.1
268.12012	1.0
269.12811	1.6
271.10751	1.6
271.14151	0.4
275.11697	1.0
276.09857	0.5
277.09650	2.4
277.13113	0.7
278.10416	1.6
279.11295	6.9
280.12018	0.7
281.12823	12.0
282.10263	0.8
282.13602	2.9
283.10736	4.8
283.14368	4.1
284.11679	1.7
285.12329	10.4
286.13025	2.1
291.11209	3.4
292.12097	0.7
293.09543	0.5
293.12775	6.9
294.10446	0.7
294.13580	2.6
295.10773	3.0
295.14404	1.3
296.11539	4.6
297.09271	0.5
297.12341	5.7
298.13245	1.7
299.10455	0.7
299.13879	13.8
305.09067	0.6
306.10089	0.4
307.10815	1.1
308.11523	0.9
309.12308	63.1
310.12936	4.0
311.13864	22.2
312.14346	0.9
313.11911	1.3
319.10794	2.6
320.11588	0.8
321.12320	5.1
323.10019	0.7
324.10980	1.9
325.11859	3.3
326.12451	1.9
327.13367	83.2
328.13730	2.2
336.14517	0.6
337.11813	12.4
337.15195	0.5
338.12576	5.7
339.13361	12.8
341.14944	3.6
344.13870	0.6
353.14957	0.8
356.13531	0.8
357.14502	2.9
358.15384	1.7
359.15991	8.8
369.09604	0.5
369.14429	34.2
370.15149	2.3
371.15997	34.4
372.16605	1.4
386.18759	1.1
400.16437	0.6
402.17731	0.4
404.19681	3.7
412.16861	0.4
414.17993	1.6
416.19553	4.7
427.17374	0.7
430.17462	3.0
431.18475	0.5
432.19165	9.2
432.24982	0.5
442.17676	1.6
446.20578	1.0
448.18591	18.7
449.19232	0.9
460.18658	35.2
461.19299	1.4
464.21582	0.4
474.20224	2.7
480.21295	47.5
481.21558	1.4
490.19608	0.5
492.21268	100.0
493.21622	4.5
506.22784	0.5
522.22418	0.7
523.23151	0.8
524.23950	2.2
569.27930	0.7
595.25452	4.0
613.26520	34.9
614.27002	1.6
627.28271	3.9
645.29120	12.2
646.29596	0.9
654.25983	0.9
685.28009	0.8
739.30469	0.6
757.29437	0.5
775.32288	0.6
807.31525	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	807.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03228	1.3
67.05515	2.5
69.03428	5.4
69.39841	6.4
69.40107	1.4
70.06598	5.5
79.05497	2.1
81.03424	4.2
81.05798	1.4
84.08197	1.7
85.02901	5.7
86.09705	1.7
90.27654	1.2
91.05479	3.5
93.07030	5.8
94.06570	11.7
95.07335	6.6
95.08605	1.7
96.08140	14.4
97.02905	3.9
97.06579	1.9
103.03956	1.5
103.79221	1.3
107.07349	3.1
108.04514	2.4
108.08122	24.1
110.09676	30.3
120.04518	2.6
120.08105	25.4
122.06026	8.8
122.09691	5.7
124.07595	4.8
127.03925	2.1
136.07585	17.6
138.08084	1.9
138.09134	40.1
146.06004	1.4
146.09605	1.6
148.07553	11.0
150.09143	12.9
152.07082	6.1
160.03955	5.5
164.07124	2.6
166.08641	73.0
168.10213	4.6
172.03932	7.4
174.05586	2.3
190.04997	4.7
197.10677	1.7
199.08658	2.9
204.06529	10.2
204.10118	1.5
210.11456	2.3
211.08601	2.7
211.12308	4.9
212.13066	1.4
213.10196	7.4
223.08629	11.5
223.12262	2.5
224.09369	2.0
224.13074	2.0
225.10229	38.3
225.13762	3.3
226.10941	8.6
227.11758	12.6
230.11783	1.4
236.09517	2.4
237.10197	20.8
237.13847	3.3
238.10966	15.6
239.08180	3.7
239.11780	28.5
240.12592	6.0
241.13380	4.4
243.11237	2.0
246.07568	2.1
249.10245	7.2
250.10905	7.1
251.08177	17.1
251.11826	26.8
252.12585	6.1
253.09706	21.8
253.13412	17.2
254.10353	9.7
255.11235	4.4
261.10345	1.5
262.10974	1.5
263.11813	8.9
264.08923	3.1
264.12616	4.7
265.09756	45.0
265.13361	23.0
266.10519	21.0
266.13657	2.4
267.11270	14.0
267.14938	2.8
268.09518	2.0
268.12143	2.2
269.09204	2.3
269.12848	4.3
270.10062	1.6
271.10840	5.9
271.14270	2.3
273.12280	2.9
277.09784	4.7
277.13068	2.1
278.10529	2.6
279.08191	2.5
279.11261	31.6
280.12048	2.8
281.12839	21.6
282.10120	2.1
282.13593	3.3
283.10788	25.0
283.14462	10.9
284.11591	5.5
285.12329	52.4
286.13187	6.9
287.13977	3.3
291.11331	4.3
293.12781	15.8
294.13666	2.8
295.10739	4.9
295.14410	8.4
296.11676	4.4
297.09268	2.5
297.12344	25.7
298.13232	11.6
299.10669	1.4
299.13898	27.5
300.14777	3.1
301.15546	4.9
307.10840	8.3
308.11496	1.9
309.12323	17.6
310.13058	5.6
311.13879	21.5
312.14471	2.4
313.15500	3.5
316.14618	1.6
319.10757	3.6
321.12390	9.3
323.10181	3.4
325.11847	31.5
325.15564	3.3
326.12677	9.4
327.13385	66.7
328.13885	2.5
330.16049	2.0
337.11804	12.8
338.12509	18.0
339.13379	24.4
341.15323	1.5
343.12946	3.2
344.13843	3.2
344.17682	2.0
355.13052	4.1
356.13995	2.5
357.14517	17.1
358.15268	6.8
359.15939	11.4
360.16818	1.9
369.14594	3.9
370.15323	4.4
371.16122	7.7
372.17255	1.8
374.19055	2.1
378.17953	1.8
390.17920	3.9
392.19714	1.8
404.15356	1.7
414.18478	2.7
416.19858	1.7
418.17511	11.1
422.20428	2.9
432.19058	6.2
434.21277	1.8
436.18649	3.2
442.17798	1.8
446.20862	5.4
448.18500	5.4
450.20038	5.8
451.21249	2.9
454.17145	2.1
460.18686	6.4
462.20117	4.8
464.21622	4.4
465.22369	8.7
466.23480	3.5
474.20392	5.4
478.19733	2.3
480.21463	9.4
490.19711	17.7
491.20465	24.8
492.21310	79.0
493.21625	4.1
509.21524	6.6
522.22284	9.2
523.23145	100.0
524.23883	68.6
525.24359	2.6
569.27612	3.0
585.26904	2.2
587.28290	5.0
595.25220	3.6
613.26624	61.1
614.26331	3.0
636.25055	3.1
645.29175	62.6
646.29376	3.8
652.24768	3.5
653.25751	72.5
654.26508	21.1
684.27393	2.1
685.28394	64.6
686.28821	13.6
757.29633	1.7
775.30981	5.5
807.33105	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.0
57.07087	2.4
57.20813	2.1
61.02918	2.3
67.05505	47.8
67.45093	1.6
67.79420	1.8
69.07063	11.0
69.53522	8.3
70.51536	1.7
71.04979	2.5
78.67363	1.6
79.05489	35.6
79.60918	1.7
80.58575	1.8
81.07061	45.1
83.08643	4.7
85.02914	1.7
91.05482	28.8
93.07047	41.5
95.04968	4.4
95.08601	36.8
97.10178	3.7
99.08109	2.3
105.04504	3.0
105.07040	24.8
107.08604	27.0
109.06548	3.0
109.10165	16.3
117.07032	9.8
119.08592	19.9
121.10128	14.3
123.11733	5.7
127.03957	2.2
128.06383	2.0
129.07004	3.1
131.08575	11.5
133.10150	16.1
135.11690	14.0
137.09625	1.7
143.08597	5.1
144.28117	2.1
145.10139	11.8
147.11696	16.0
149.09618	2.5
149.13261	7.3
157.10173	4.4
159.11729	10.1
161.13261	9.9
163.14908	2.5
171.11719	2.6
173.13263	8.2
175.14822	3.8
177.12856	2.2
177.16557	2.1
180.75726	1.8
183.11911	2.7
185.13258	4.5
187.14873	5.2
199.14960	3.9
241.19583	10.5
243.21179	2.7
257.19000	3.0
259.20523	24.3
261.22241	7.2
263.26886	1.9
275.20065	2.2
277.21667	19.6
293.21008	2.6
333.24222	18.5
335.25772	100.0
336.26071	3.1
337.27292	2.7
351.25314	39.6
351.29437	1.6
392.08286	2.0
446.78778	2.1
489.35516	3.2
529.38721	2.5
561.32373	2.1
593.45764	5.1
611.46704	55.5
660.18134	2.2
704.95313	2.1
808.52759	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	808.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	17.1
57.07062	5.2
61.02922	2.8
63.51799	1.1
65.03934	4.8
67.05506	100.0
69.03430	2.0
69.07073	28.5
70.73188	1.6
70.73508	1.9
71.04990	4.1
77.03912	3.1
79.05493	82.6
81.03413	2.9
81.07056	83.8
81.98330	1.1
82.07434	1.1
83.04985	5.8
83.08627	14.7
85.02882	2.8
85.06522	4.0
91.05479	80.8
93.07047	91.7
94.07339	1.3
94.51360	1.2
95.04977	12.6
95.08606	68.4
95.25948	1.2
96.08911	1.3
97.02887	1.4
97.06537	3.5
97.10161	5.4
98.43982	1.3
99.08076	2.1
103.05446	2.4
105.04540	6.9
105.07031	79.6
107.08594	48.3
107.09342	1.5
109.06530	3.7
109.10156	28.2
111.08064	2.9
115.05441	1.5
117.07024	24.8
119.08590	62.3
121.10148	38.2
123.08043	3.7
123.11714	9.9
125.09568	1.4
128.06233	1.8
129.06996	11.0
130.07802	1.5
131.08566	33.5
133.10130	46.2
135.08083	1.6
135.11687	24.3
137.09622	3.5
137.13229	3.0
137.72760	1.3
139.11221	1.6
142.07790	1.6
143.08554	13.5
145.10132	30.4
147.10561	2.6
147.11682	34.9
149.09642	1.8
149.13266	15.7
155.08505	3.4
157.10146	12.7
159.11703	27.5
161.13254	22.4
163.14861	6.5
169.10095	4.3
171.11652	16.2
173.13283	14.4
175.11078	1.5
175.14833	10.4
177.12767	1.7
183.11734	4.4
185.13228	10.9
187.14816	5.5
189.16338	1.3
197.13298	4.4
199.14838	5.8
201.16368	3.1
203.17946	1.6
213.16367	2.4
215.17876	3.7
231.21118	4.8
241.19513	18.8
243.21118	3.5
244.23549	1.5
257.18961	5.9
259.20572	50.8
261.22214	10.0
274.24854	1.4
285.21381	1.3
315.23181	3.2
317.25015	1.4
325.21796	1.3
331.22687	3.4
333.24252	40.0
334.24435	1.4
335.25797	72.8
336.26154	2.3
337.27411	3.6
351.25031	1.5
444.82346	1.5
519.41864	3.5
537.42737	2.4
541.39056	1.4
593.45886	11.1
611.46710	48.6
755.51636	1.4
756.68250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44665	0.4
67.05502	0.7
68.05004	0.5
69.07114	0.5
69.84606	1.2
69.84946	0.5
70.06595	77.2
71.06927	0.6
72.08158	25.2
75.05597	1.1
80.05010	0.4
82.06596	3.0
84.04507	6.0
84.08146	100.0
85.04016	0.6
85.08475	0.9
86.09707	14.7
88.73515	0.4
94.06574	0.6
96.08141	2.8
98.06071	0.9
98.22680	0.8
102.05527	3.2
109.07664	0.7
110.06041	0.6
111.09214	3.9
112.07612	1.8
113.07136	0.5
113.10765	0.7
116.07104	0.4
120.08163	0.6
123.09193	2.4
125.10758	0.5
127.08684	15.5
128.07089	0.7
129.10248	76.1
130.04974	0.5
130.08705	0.5
132.10228	2.7
138.12776	1.9
139.08656	5.7
141.06567	0.6
141.10228	5.9
143.11819	0.6
151.08659	2.8
152.07095	1.4
152.10721	0.7
152.14362	1.8
155.08157	56.0
157.09737	5.0
165.06595	0.8
168.10248	0.6
168.11395	3.0
169.09717	5.1
172.10767	0.6
175.10930	0.6
177.10220	1.9
179.11794	0.5
181.13356	1.4
183.14966	1.9
186.12386	21.3
193.09749	1.8
194.08113	0.5
195.11295	6.3
197.12831	2.0
197.16501	2.1
199.10854	0.5
205.09738	12.0
205.11536	0.7
209.09393	0.6
211.10756	2.5
211.14511	0.8
213.12404	1.2
215.13982	2.7
220.10844	0.8
221.09413	0.4
222.12378	2.1
223.10843	1.8
223.14426	1.5
225.12393	0.5
226.15527	7.0
231.17079	3.1
233.12912	0.8
234.12253	0.8
236.14148	0.5
237.15994	3.1
239.10291	1.5
240.13425	6.7
240.17038	0.6
243.13377	1.1
250.11957	0.8
252.13493	0.9
253.11838	0.8
254.15024	13.7
254.18823	0.7
255.15359	0.4
257.11377	3.0
258.14499	1.2
262.11902	1.8
266.15036	0.9
268.13058	2.1
268.16669	1.5
270.18164	1.4
272.16107	1.1
279.14630	0.8
280.12979	1.2
281.19708	1.6
283.17468	1.0
286.14011	5.2
297.15594	9.8
299.20813	0.6
315.16650	10.1
322.17352	0.7
339.23938	1.4
352.18488	0.5
353.21509	0.8
354.20413	0.8
360.61554	0.4
367.23370	1.2
369.21317	0.6
371.22772	1.1
381.21155	0.6
383.18912	0.9
383.23398	0.7
385.24460	33.2
386.24777	1.0
399.22305	2.6
400.25461	1.9
410.23938	2.0
412.21872	0.5
428.25085	14.6
428.30649	0.9
439.26804	0.9
482.29532	0.4
498.32950	4.3
525.30469	1.7
582.32446	0.9
653.39685	1.6
663.38092	0.9
681.39288	13.3
682.39532	0.8
794.46631	0.9
812.48755	77.2
813.49286	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	812.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.5
60.27350	1.0
61.02932	7.0
65.03933	1.2
67.05502	9.5
68.05022	4.1
69.03448	5.0
69.05786	2.3
69.07066	3.7
70.06592	61.7
71.04980	2.6
72.08163	2.7
73.02914	5.3
79.05490	6.7
80.05036	1.4
81.03414	3.8
81.07056	9.8
82.06580	1.9
83.07339	2.2
83.08592	1.2
84.08153	3.4
85.02905	8.1
86.06078	1.1
91.03954	2.9
91.05480	4.1
93.07034	7.5
95.04966	2.2
95.08611	6.7
96.08122	4.8
97.02895	6.9
97.08392	1.2
97.54562	0.8
98.09676	1.2
100.42228	0.8
101.02346	1.4
105.07023	3.7
107.08582	3.6
109.06478	1.0
109.10141	1.4
112.07576	1.3
119.08573	2.4
121.10153	3.2
124.07616	1.2
126.09155	1.2
131.08565	1.5
133.10078	1.2
135.11638	0.8
138.29771	0.9
175.11133	1.5
193.12248	1.7
226.18001	2.4
233.31529	0.9
236.16414	8.5
238.18037	8.2
254.17525	17.9
256.19028	2.9
280.19016	2.0
298.20087	3.5
310.20035	3.4
312.21594	1.3
326.93845	0.9
328.21313	5.2
330.22720	3.8
335.25946	3.2
354.22687	2.7
588.42584	20.3
589.42963	1.4
590.43921	3.0
632.34595	1.5
632.45160	26.7
633.45752	1.3
700.36151	1.1
750.47852	7.9
776.48944	1.3
794.50427	100.0
795.50769	5.3
812.41669	5.3
812.50940	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	813.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05021	0.8
70.02940	2.9
70.06589	95.9
71.06914	2.8
72.08154	35.5
73.08485	0.9
81.97678	0.8
82.06583	1.0
84.04494	15.5
84.08136	16.0
85.02892	0.9
85.08474	2.5
86.09703	100.0
88.03987	12.6
90.05543	3.7
92.58739	0.8
98.02402	2.2
98.06046	1.1
98.09688	9.8
98.95002	0.8
102.05537	15.0
110.06039	2.7
110.07128	1.8
112.11229	11.2
114.09154	0.9
115.08686	3.0
116.66240	0.9
120.08096	2.0
127.08681	3.5
128.07066	1.7
129.10222	13.6
130.04973	2.8
130.10577	1.9
136.03947	1.1
136.07578	1.7
140.14357	2.5
141.06583	1.5
141.10222	3.3
143.08139	1.9
143.11780	9.9
155.08147	15.0
156.06607	0.8
156.08432	1.2
156.10260	1.3
157.06087	2.2
157.09789	1.2
157.13356	44.1
167.11787	1.0
169.09644	2.2
169.13338	4.0
171.11305	9.8
172.05989	1.4
173.09207	7.5
181.06105	9.3
183.07684	4.8
183.11295	3.0
183.14919	12.3
185.05606	5.9
185.12854	17.6
186.12392	2.7
187.07236	1.7
197.12885	2.1
199.07120	3.9
199.10814	1.3
200.05609	1.1
201.08707	17.4
201.12280	5.7
205.09654	0.9
211.07153	2.0
211.10683	1.8
211.14380	3.0
211.18022	6.9
215.13895	33.4
217.08192	28.4
226.15517	1.4
227.06616	2.3
227.10364	1.2
227.13887	1.1
228.04904	1.2
228.16940	1.9
229.11804	12.2
239.06575	1.3
239.10301	1.5
239.17516	2.1
240.13481	1.2
241.15565	0.9
242.15080	3.0
245.07680	48.6
251.13893	0.9
252.09821	1.5
253.08275	0.9
254.14986	3.8
255.13315	2.2
256.09271	9.9
256.16876	0.9
266.91241	0.9
270.10858	2.7
272.12387	1.2
280.09567	0.9
282.14539	4.7
284.19415	1.0
285.14603	1.2
286.13849	1.3
297.15677	1.3
298.10284	5.7
299.08847	1.6
300.12149	1.1
300.15543	25.5
313.13870	1.2
314.20667	6.8
316.11371	37.2
325.18677	1.2
326.17004	3.9
327.23779	1.5
339.16492	1.4
340.15012	1.3
342.13068	1.1
353.18146	3.8
354.20151	2.3
355.23346	1.9
358.16040	3.1
366.16565	1.1
367.50580	0.9
368.14554	1.1
371.15247	0.9
371.19235	5.9
383.19101	1.3
384.17636	3.4
385.24457	6.3
386.24573	2.7
387.15033	6.9
387.19165	1.5
397.17188	1.8
399.22308	4.3
401.20313	1.9
411.18967	4.2
415.18240	8.2
424.25461	3.4
425.17935	4.6
427.17603	1.1
428.25058	2.0
429.19873	7.7
429.25208	1.6
452.24982	4.0
455.21045	1.2
456.28278	1.2
457.19287	1.4
466.26471	4.9
468.20743	4.2
470.26181	1.6
472.24088	2.3
482.22269	4.9
483.24310	3.3
484.27725	2.9
486.21924	28.4
500.23444	42.3
501.23309	1.5
510.25513	1.9
528.26794	5.7
554.28076	7.8
571.30817	16.0
581.29218	9.8
595.53809	1.0
599.30310	65.1
600.30756	2.3
682.38892	2.5
813.49170	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	813.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.96209	0.4
61.02922	2.2
65.03953	0.4
67.05502	2.1
69.03441	1.4
69.07063	0.4
69.12558	1.4
69.12958	0.6
71.05017	0.4
73.02921	2.0
79.05499	2.1
81.03426	0.5
81.07070	1.9
85.02905	2.3
91.03972	1.2
91.05507	1.8
92.76134	0.3
93.07032	2.1
95.08612	1.6
97.02885	2.7
99.04491	0.5
101.02409	0.8
101.89856	0.3
105.07050	1.1
107.08616	0.9
119.08615	0.6
119.50320	0.4
121.10184	0.7
127.03947	0.6
133.10190	0.7
135.11736	0.6
240.26337	0.4
240.91469	0.3
243.08524	0.9
301.09070	0.4
335.26083	0.4
380.72726	0.4
443.43195	0.3
490.20648	0.4
519.10626	0.4
519.29358	3.9
535.28729	3.4
813.51178	100.0
814.51556	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	816.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.9
58.64574	0.7
67.05520	1.3
68.05035	1.5
69.07073	0.9
69.80045	0.8
69.80383	2.5
70.06586	3.5
71.05003	2.2
72.08199	0.9
76.32610	0.7
81.06598	0.7
81.07063	2.6
82.06593	5.5
84.08144	6.8
91.05492	1.2
93.07076	1.0
94.06589	3.0
96.08126	20.4
96.08739	1.2
107.08603	0.9
108.08137	1.6
109.08952	1.6
110.09673	6.2
122.09650	6.1
128.10728	1.2
152.14352	4.7
154.12251	5.0
166.15994	2.1
180.17455	8.3
182.15439	1.6
194.15457	2.4
209.85277	0.8
212.16443	5.4
217.45517	0.9
234.18623	2.9
250.18042	1.4
252.19585	39.0
268.19022	0.8
270.20633	97.3
271.21112	2.1
283.06232	0.8
284.22293	1.5
295.06091	3.0
297.07806	1.3
307.06143	2.8
309.07639	1.3
321.07715	2.1
325.07275	3.1
327.08551	0.9
335.09378	1.1
337.07266	2.3
339.08893	1.2
342.23077	0.9
349.07190	1.3
367.08530	1.1
391.08292	1.9
403.08035	0.8
409.09290	0.9
532.96155	0.9
606.26959	2.8
608.28357	1.0
636.28119	6.1
648.27881	1.2
660.27484	0.9
666.29401	1.1
678.28510	1.3
696.30798	1.3
726.31360	3.5
756.32245	1.8
798.33173	2.2
816.34308	100.0
817.34851	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	817.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90978	0.4
59.09818	0.5
71.46753	0.5
86.09734	1.0
94.31551	0.4
98.02182	4.5
126.66422	0.5
152.86584	0.5
211.10536	1.1
221.08961	9.6
231.34132	0.6
237.08554	0.7
246.19963	0.6
261.15811	0.5
265.11746	1.4
279.16937	0.9
289.15323	0.8
307.16278	26.8
317.86642	0.5
325.17572	1.6
334.17365	16.7
359.80316	0.6
392.25366	1.1
402.23755	0.8
420.24689	10.7
421.24426	0.5
438.25952	1.5
447.26376	0.5
448.24225	0.9
495.27991	1.7
515.31909	3.1
561.32880	1.4
572.34387	0.6
601.39539	1.8
606.35181	0.7
608.36285	0.9
618.34698	13.2
647.39771	0.6
676.42474	1.2
704.41992	3.8
731.43604	2.4
817.50409	100.0
818.51013	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	818.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.06604	3.9
67.05501	3.6
69.07093	1.2
69.85375	1.1
69.85765	0.9
70.06597	3.7
71.07392	1.4
72.08173	1.9
79.05493	2.4
81.07060	5.6
82.06618	0.6
83.08636	0.9
84.08146	21.2
91.05494	1.4
93.07072	1.4
95.08610	4.7
96.08144	3.9
97.02950	0.4
97.08921	1.0
97.10195	0.6
98.09729	1.7
98.22572	0.6
105.07050	0.8
107.08629	1.7
108.08116	1.0
109.10186	0.8
110.09694	7.5
110.10433	0.5
111.10494	2.2
112.11252	2.7
119.04969	0.6
119.08586	0.5
121.02869	3.4
121.10226	0.7
123.99683	0.4
124.10482	0.5
124.11208	3.0
128.10725	7.9
133.10194	0.7
152.14378	1.0
158.39767	0.5
180.17558	0.8
189.01898	1.4
191.63416	0.4
203.03419	0.9
207.02861	0.7
208.20699	0.8
215.03445	0.9
219.02945	0.8
226.17970	0.6
231.02982	0.6
236.20096	16.9
245.04396	0.5
252.19653	0.8
254.21158	41.9
255.21559	0.8
270.20621	1.0
272.22205	18.5
281.08173	0.8
283.06085	1.2
294.05280	3.2
295.06003	9.2
295.09094	0.6
296.06793	0.6
296.22363	1.1
297.07715	1.6
307.06021	7.0
308.06995	1.3
309.07553	4.2
313.07101	0.6
319.06015	0.7
320.07010	1.3
321.07504	5.0
322.08105	0.8
323.09171	0.8
325.07062	7.2
326.23260	0.7
327.09149	0.6
333.07581	2.7
334.08386	1.1
335.09073	2.2
337.07047	6.4
339.08835	2.0
345.07547	1.0
347.09128	0.7
349.07001	4.5
351.08743	1.6
355.08264	0.5
359.09421	0.5
361.07053	2.6
363.08615	2.9
367.08240	1.9
373.07245	1.5
375.08633	0.7
379.08057	3.5
387.08621	0.9
391.08102	4.6
393.09708	0.7
398.25751	0.7
403.08246	1.1
409.09256	2.3
416.26715	1.7
421.09134	0.9
433.09628	0.7
458.36343	0.5
463.10321	0.7
493.11978	0.6
503.19894	0.5
545.80029	0.5
590.28046	1.5
608.28400	1.0
614.28192	1.0
620.28430	2.2
638.29700	0.5
644.28534	2.1
650.28949	0.6
662.29706	2.0
680.30511	1.2
698.32397	0.6
710.31927	1.1
728.33081	2.5
740.33374	0.9
764.32916	1.7
782.34479	1.3
800.34839	5.9
818.35919	100.0
819.35950	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	818.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.8
64.51837	0.4
65.03938	0.5
67.05505	3.7
68.08536	0.4
69.07072	1.3
69.24961	2.3
70.06591	8.1
71.04988	1.2
72.08166	1.8
78.16663	0.4
79.05505	1.7
81.07055	6.1
82.06590	1.8
84.08140	7.1
85.06567	0.5
86.09731	2.0
87.29907	0.5
88.07626	4.3
91.05493	1.2
93.07073	1.4
95.04961	0.6
95.08608	3.8
96.08130	3.7
97.06536	0.5
98.09670	2.9
98.22648	0.7
105.07044	1.3
107.04951	0.4
107.08580	0.8
109.10175	1.2
110.09668	6.4
111.10485	1.8
112.07684	0.5
112.11235	4.5
119.04912	0.4
119.08595	0.6
121.02861	3.1
121.10159	0.6
122.09686	0.7
124.11205	2.5
128.10704	5.4
138.12782	1.2
145.02870	0.6
147.11740	0.6
166.15968	1.0
180.17520	0.5
182.18999	2.0
189.01842	1.0
194.19077	0.5
203.03513	0.7
208.20723	0.7
215.03360	0.5
219.02931	0.7
222.18497	0.5
226.18091	1.3
236.20070	15.5
243.02803	0.5
252.19682	1.5
254.21136	39.6
255.21628	0.8
259.10568	0.4
270.20520	2.7
272.22202	19.9
279.06552	0.7
281.08176	0.6
283.06149	0.9
294.05127	2.3
295.05991	8.8
295.09134	0.7
296.06717	0.6
296.22208	0.6
297.07730	1.5
298.08524	0.5
307.05994	7.2
307.09348	0.7
308.06882	1.2
309.04120	0.7
309.07516	4.0
313.07153	0.8
319.06082	0.6
320.06583	0.9
321.07452	3.6
322.08270	0.5
323.05618	0.6
323.09283	0.6
325.07047	5.9
326.23477	0.8
327.08774	0.6
329.08478	0.7
333.07779	2.1
334.08252	0.5
335.05740	0.5
335.09293	1.7
336.06531	0.7
337.07047	5.5
339.08749	1.4
345.07666	1.6
347.09103	0.8
349.07028	4.2
351.08807	1.5
353.06720	0.5
355.08029	0.7
361.06912	3.1
363.08716	2.6
363.90970	0.5
367.08173	2.0
373.07178	1.4
379.08145	3.6
391.08160	4.1
393.10010	0.6
398.25479	0.7
403.08102	0.7
409.09232	2.1
416.26541	1.2
421.09448	0.5
427.10242	0.6
433.09479	0.9
463.10104	0.5
475.10245	0.6
493.11505	0.7
560.26648	0.5
574.52649	0.5
578.27924	0.7
590.27802	1.8
608.28284	0.7
614.27570	0.7
620.28735	1.7
632.28864	0.6
644.28735	2.2
662.29761	1.7
680.31049	1.2
698.31610	0.6
728.33032	3.2
740.32208	0.6
746.31000	0.5
758.34717	0.6
764.32520	0.9
782.33698	1.6
800.34631	7.3
801.36157	0.7
818.35864	100.0
819.36316	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	818.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.1
58.06600	4.4
65.46757	0.4
67.05502	4.3
67.06606	0.4
67.76511	0.4
68.26865	0.5
69.07082	1.4
69.86187	1.4
70.06589	3.8
70.54384	0.5
71.07359	0.7
72.08158	2.5
73.33810	0.4
79.05502	2.1
81.07051	5.8
83.08614	0.8
84.08142	17.4
85.02919	0.6
85.06552	0.5
91.05493	1.3
93.07065	1.5
94.06580	0.5
95.08609	3.9
96.08140	3.6
97.08957	0.6
98.09715	1.5
105.07073	0.8
107.08616	1.3
108.08095	0.9
109.10227	0.8
110.09679	6.7
111.10509	2.0
112.11275	3.1
119.05013	0.5
121.02869	3.3
121.10230	0.8
124.11258	2.1
128.10722	6.8
138.12793	1.0
145.02943	0.8
147.11739	0.7
152.14342	0.7
175.03795	0.6
179.97841	0.5
189.01874	1.1
191.03435	0.5
203.03487	0.6
208.20673	0.5
234.18839	0.6
236.20100	18.2
252.19731	1.3
254.21141	42.0
270.20706	1.2
272.22205	19.0
279.06534	0.7
281.08344	0.6
283.05948	0.8
294.05203	2.6
295.06021	8.3
295.09128	0.7
296.06876	0.9
296.22339	1.3
297.07758	1.7
307.06018	7.9
307.09296	0.9
308.06876	1.1
309.07501	3.4
313.07010	1.3
319.06305	1.3
320.06860	1.2
321.07422	3.8
322.08426	0.6
323.05600	0.7
323.09164	0.9
325.07043	6.7
326.23410	0.6
327.08624	0.7
333.07553	2.5
334.08603	0.8
335.09338	1.7
337.07083	6.9
339.08890	1.8
339.61642	0.5
344.24466	0.6
345.07550	0.9
347.09494	0.9
349.07108	3.3
351.08636	1.2
361.06976	4.2
363.08755	2.2
367.08316	2.0
373.07166	1.7
375.08957	0.8
379.08182	3.3
391.08102	5.4
393.09851	0.8
398.25540	1.3
403.08258	0.9
405.09796	0.7
409.09515	1.9
415.08130	0.5
416.26672	1.4
433.09189	0.6
439.10330	0.7
475.10559	0.5
493.11588	0.6
511.12384	0.6
562.28333	0.5
590.27264	1.4
608.28357	1.1
614.27325	0.7
620.28406	2.6
638.29504	0.7
644.28717	1.7
662.29828	1.7
680.30432	1.0
710.32086	1.0
728.32581	3.6
758.33405	1.1
764.33008	1.2
782.33795	1.5
800.34857	8.0
818.35883	100.0
819.36212	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	820.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26480	0.6
57.68339	0.6
58.06603	3.9
58.84773	0.7
64.57825	0.6
67.05508	6.9
68.05027	1.2
69.03432	1.6
69.07080	2.8
69.13152	2.1
69.13581	2.4
70.06601	3.1
71.04991	0.8
72.08162	2.6
79.05510	4.5
80.27139	0.6
81.03447	0.8
81.07069	7.0
82.06600	2.1
83.08645	1.0
84.04470	1.2
84.08151	3.1
85.02914	1.9
86.06070	0.8
91.05479	3.6
91.28757	0.9
93.07042	5.0
94.06555	5.1
95.04990	1.1
95.08633	3.7
96.08122	7.6
97.02925	0.8
97.06573	1.0
105.07068	2.1
107.07346	1.9
107.08633	2.8
108.08138	2.4
109.10172	2.6
110.09679	1.2
112.07631	1.2
114.09170	5.2
115.09504	0.8
117.07021	1.1
119.04964	2.3
119.08620	1.6
120.08116	1.7
121.02859	8.3
121.10163	1.0
122.09701	1.6
123.08090	0.9
130.08664	1.9
131.08627	1.0
134.09625	0.7
135.08098	0.8
135.11671	1.0
144.10220	0.8
145.02914	1.2
146.19992	0.7
149.05974	0.8
149.13214	0.8
154.12337	1.1
161.13260	0.7
163.03758	0.9
163.11382	0.7
177.01933	0.8
180.13802	0.8
189.01855	2.6
190.15948	0.8
191.03487	1.6
192.13841	0.8
192.17529	1.4
194.15453	4.5
195.02910	1.3
195.13698	0.8
203.03471	2.2
207.02971	2.9
208.16956	1.0
212.14771	0.7
212.16396	3.5
215.03572	0.9
217.04948	0.9
218.15381	4.4
219.02971	0.7
220.16951	16.9
221.04434	1.1
236.16411	7.3
238.18030	24.2
238.42242	0.8
245.04498	1.0
254.17603	2.7
255.02888	1.0
256.19073	16.9
268.07404	0.8
273.03973	1.6
274.20154	14.5
280.07404	0.8
281.08188	2.0
283.06116	3.9
285.07394	0.9
293.07983	1.0
294.05249	6.1
295.05994	19.4
296.06769	3.0
297.07446	3.8
298.08359	1.4
305.08194	0.7
307.06039	19.3
308.06708	3.8
309.07556	9.4
313.07141	3.2
317.08148	1.9
319.06107	2.6
320.06955	2.0
321.07565	11.3
322.08350	1.3
323.09198	1.7
325.07047	15.6
327.08630	9.0
329.08139	1.1
333.07651	7.0
334.08395	1.8
335.09116	5.7
336.06314	1.1
337.07068	15.7
338.07440	1.1
339.08820	2.9
345.07745	4.2
346.22733	0.8
346.27591	0.8
347.05453	0.8
347.09152	2.3
349.07138	9.0
350.07736	1.0
351.08667	6.0
355.08221	2.5
361.07025	9.9
361.10812	1.0
362.07391	1.1
363.08627	9.4
365.10327	1.1
367.08194	3.7
369.09390	0.7
373.07040	4.9
375.08368	3.6
379.08090	12.0
379.12326	1.1
382.22385	1.3
387.08789	1.3
391.08105	16.6
393.09741	3.3
400.23318	1.6
403.08270	2.1
409.09106	7.6
415.08194	1.0
418.24460	2.5
421.09378	2.2
427.10074	1.1
433.09256	1.5
439.10205	1.1
445.09323	1.9
447.11472	0.8
457.09753	1.3
475.10178	1.3
481.11407	1.0
511.11887	0.8
518.96960	0.8
556.23370	1.1
574.24261	0.9
598.24500	1.1
610.25952	0.8
628.25311	2.1
634.26050	0.7
664.26880	0.9
682.28552	1.3
707.09253	0.7
730.30750	8.3
731.43896	0.8
735.84790	0.8
760.31329	0.8
766.29791	1.9
784.31476	6.4
802.32721	28.8
803.33380	1.5
820.33667	100.0
821.33661	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
57.91965	0.4
58.06593	2.8
65.03931	0.4
67.05499	4.5
69.03429	0.8
69.07075	1.9
70.06590	2.2
70.49928	0.7
74.06079	0.7
79.05478	2.6
80.05039	0.6
81.03418	0.8
81.07053	3.4
82.06567	2.3
83.04982	0.7
83.08651	0.6
84.04510	1.3
84.08150	0.7
85.02930	0.8
91.05501	1.9
93.03403	0.6
93.07042	3.1
94.06555	4.1
95.04977	0.8
95.08593	2.5
96.08147	3.0
97.02880	0.7
97.06515	0.7
103.03956	0.5
105.07050	1.6
107.04989	0.6
107.07382	1.8
107.08614	1.6
108.08143	1.8
109.06563	0.8
109.08947	0.8
109.10178	1.5
110.09752	0.9
112.07636	1.4
114.09218	0.6
117.07012	0.6
119.04979	1.1
119.08591	1.0
119.89178	0.4
120.08141	1.8
121.02869	6.4
121.08886	0.5
121.10236	0.4
122.09702	1.1
124.11238	0.5
130.08643	2.5
133.10167	1.1
134.09705	0.9
135.11710	0.6
137.09662	0.5
145.02907	1.3
173.64943	0.5
177.01862	0.4
180.13858	0.6
187.03885	0.5
189.01950	2.0
190.15916	0.8
191.03343	0.8
192.13792	0.7
192.17561	0.8
194.15433	4.1
195.02950	0.9
201.02026	0.4
203.03481	1.9
207.03009	1.6
208.17099	0.6
212.16457	2.9
215.03502	1.2
217.04945	0.8
218.15399	4.7
219.03014	1.1
220.16972	16.8
229.05005	0.6
233.04445	0.9
234.14876	0.6
236.16466	5.9
238.18022	24.4
239.18440	0.6
243.03108	0.7
245.04439	0.8
248.94179	0.5
254.17570	1.5
255.02888	0.5
256.19080	14.9
273.03964	0.8
273.60922	0.4
274.20132	15.9
279.06631	1.0
280.19556	0.6
281.08237	1.9
283.06146	1.6
284.06827	0.8
291.06769	1.0
292.07123	0.5
293.08084	0.8
294.05276	4.1
295.06027	13.1
296.06857	1.3
297.07541	4.2
298.08447	1.4
307.06015	14.1
307.09119	0.7
308.06720	3.6
309.04047	0.6
309.07532	11.5
311.09280	1.1
313.03815	0.5
313.07224	1.9
316.21463	0.6
317.08325	1.0
319.06152	1.8
320.06839	2.4
321.07584	9.7
321.11343	0.6
322.08331	1.4
323.05569	1.3
323.09253	1.6
325.07047	12.4
326.07486	0.7
327.08691	6.8
329.08170	0.9
333.07532	6.0
334.08459	1.2
335.09085	5.1
336.06393	0.7
337.07071	12.5
339.08679	2.2
340.21460	0.6
345.07550	3.0
347.09338	1.7
349.07065	8.6
349.10925	0.7
351.08572	5.4
351.12305	0.6
355.08127	0.8
359.09186	0.6
361.07062	6.8
361.10785	0.3
362.07831	0.5
363.08679	5.6
365.10278	0.9
367.08170	3.3
373.07132	2.7
375.08691	2.7
377.06506	0.7
379.08139	8.0
381.09784	0.9
382.22263	1.1
387.08701	0.9
391.08121	11.5
393.09598	2.3
400.23358	1.0
403.08191	1.6
405.09995	1.2
409.09238	5.4
411.10931	0.9
415.08023	1.1
417.09906	0.8
418.24252	3.0
421.09332	1.4
423.11008	0.5
427.10492	1.0
429.11627	0.6
433.09503	1.5
439.10385	0.6
445.09375	1.3
457.09625	0.8
463.10413	0.9
475.10446	0.6
493.11581	1.3
511.04733	0.5
511.12460	0.6
544.23346	0.9
562.24139	0.8
574.24158	0.5
592.24951	0.9
598.24261	0.9
610.25702	1.9
624.26483	0.5
628.26062	1.3
634.26508	1.7
646.26788	0.7
664.27917	1.8
682.28400	0.9
730.30902	5.2
754.30695	1.1
760.31500	1.0
766.30084	0.5
784.31531	4.8
802.32758	23.0
803.33813	0.5
804.01123	0.5
806.54761	0.5
820.33820	100.0
821.34290	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	821.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00390	0.7
67.05514	1.8
69.03413	1.6
79.05485	1.3
80.05009	1.1
85.02902	2.1
91.05496	2.0
93.07043	3.0
94.06552	5.6
95.04989	0.8
95.07331	3.5
95.08626	0.8
96.08136	7.1
97.02849	0.7
106.06606	0.7
108.04496	2.8
108.08115	10.8
109.02782	0.8
110.09679	11.5
120.08118	9.8
121.06487	0.8
122.06026	7.0
122.09686	1.8
124.07606	1.6
132.04463	1.4
134.05998	1.6
136.07582	7.7
137.08366	0.9
138.09138	16.6
138.10149	1.2
142.51352	0.7
148.07532	3.7
150.09148	3.9
160.03918	8.4
166.08638	28.9
172.03938	2.4
180.10214	3.3
182.11763	3.0
190.05032	1.8
197.10660	1.0
204.06523	3.9
211.08691	2.4
211.12321	2.5
212.09348	1.0
213.10249	3.5
222.11386	0.9
223.08679	4.3
223.12312	2.3
224.13026	1.0
225.10240	16.7
226.10997	9.0
227.11780	6.3
234.11525	0.8
235.08803	1.4
235.12352	1.6
235.95712	0.7
236.09412	2.3
237.10231	13.1
237.13928	2.1
238.11011	6.4
239.08176	6.4
239.11783	22.7
240.12503	6.2
241.13397	1.3
248.09357	1.4
249.10089	4.7
250.10963	5.8
251.08138	6.3
251.11784	22.9
252.12561	4.1
253.09755	10.3
253.13327	6.2
254.10463	6.6
254.13933	0.8
255.11209	1.2
263.11777	12.6
264.12601	2.7
265.09763	20.1
265.13376	15.9
266.10541	5.3
266.14111	2.8
267.11270	6.7
269.12830	1.8
271.10782	2.1
273.12332	1.0
277.09769	2.6
278.10526	3.2
279.11255	11.8
281.12866	9.6
283.10770	8.6
284.11591	1.0
285.12311	15.7
286.13135	2.7
291.11356	4.9
292.12042	1.3
293.09665	1.5
293.12744	7.1
296.11639	1.2
297.12430	4.8
297.15375	0.9
298.13074	6.9
299.13885	38.5
300.14481	1.4
307.10825	2.0
308.11588	0.9
309.12283	5.7
310.12921	4.4
311.13943	12.3
312.14841	1.2
313.15463	28.5
315.17038	0.9
319.10739	1.7
321.12354	1.7
323.10184	1.0
323.13916	17.5
323.17557	1.3
324.14642	3.3
325.11807	2.6
325.15417	30.3
326.16006	1.9
327.13617	0.9
337.11972	1.5
337.15491	1.3
338.12448	0.8
339.13412	6.2
340.14191	3.4
341.14960	72.3
342.15347	2.2
351.13373	7.1
352.14236	5.5
353.14966	10.6
357.14612	1.1
358.15292	2.1
370.15298	1.3
371.16040	4.1
372.16922	4.5
373.17615	11.5
383.15991	24.5
383.20828	1.5
384.16748	2.9
385.17578	27.9
386.18616	1.0
390.17764	1.1
400.16275	0.8
414.18320	0.9
418.17694	2.6
428.20093	1.1
430.06702	0.8
432.19119	1.3
444.19131	1.6
446.20645	10.6
450.20160	1.7
451.21140	0.8
461.64725	0.7
462.20306	7.8
464.21909	1.8
474.20227	10.0
476.21848	1.1
478.23187	1.6
479.23715	1.0
492.21442	1.0
494.22870	71.3
495.23218	2.5
504.21292	3.5
505.22018	7.6
506.22864	100.0
507.23193	4.8
523.22900	1.2
536.23981	2.3
537.24689	25.7
538.25494	20.6
609.26489	0.9
627.28162	14.5
641.29346	3.8
659.30768	29.3
667.27222	13.2
668.27972	4.0
699.30072	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	821.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05300	2.3
57.09590	2.2
67.05506	7.5
69.03438	4.1
69.61813	8.0
70.06580	5.3
71.47693	1.8
72.08145	4.6
75.07151	2.1
79.05515	3.5
81.03433	2.0
81.07075	4.6
85.02908	7.8
86.09752	2.4
91.05486	2.4
93.07017	6.0
94.06574	8.7
95.04960	2.8
95.07348	5.9
95.08597	3.2
96.08144	14.6
97.02896	4.1
98.23416	2.9
107.08605	3.5
108.04472	2.8
108.08134	28.7
109.02908	2.1
110.09674	24.2
118.35091	2.5
120.04466	3.8
120.08113	18.5
122.06058	6.8
122.09667	4.7
123.04419	2.4
124.07564	4.0
127.09979	3.6
136.07590	14.8
138.09148	25.8
148.07587	10.0
150.09128	7.0
152.07094	3.4
160.03964	8.7
166.08636	53.3
167.06918	1.9
172.03952	4.6
180.10199	6.0
182.11815	7.3
190.05081	2.9
204.06558	10.8
209.10861	4.7
211.08554	2.6
211.12303	2.6
212.09549	3.0
213.10239	6.2
223.08696	9.6
223.12132	2.6
224.09384	3.8
225.10245	34.6
226.10988	7.9
227.11723	13.9
236.09525	4.4
237.10219	32.0
237.13803	3.8
238.10954	16.6
239.08173	3.8
239.11760	35.8
240.12579	6.2
241.13426	2.6
249.10179	6.1
250.11047	4.6
251.08171	11.5
251.11787	27.6
252.12611	5.9
253.09694	19.4
253.13397	11.5
254.10498	6.6
255.11234	3.5
260.09216	2.6
263.11829	7.2
264.08847	2.5
265.09744	56.3
265.13303	20.8
266.10538	20.1
266.14151	7.6
267.11395	11.7
269.12939	4.4
271.10718	5.1
273.12292	3.0
277.09637	6.4
278.10397	5.5
279.11304	27.8
280.09299	2.6
281.12964	8.4
283.10828	20.0
285.12338	49.4
286.13025	5.3
287.13916	6.1
291.11224	4.6
293.12833	9.2
293.15906	2.4
297.12360	15.1
298.13031	12.2
299.13849	26.9
300.14478	2.2
307.10834	2.9
309.12408	4.9
310.13022	3.8
311.13855	20.5
313.15485	27.2
315.17163	4.8
323.13901	7.9
324.14661	4.0
325.11807	5.5
325.15414	27.0
330.16400	3.3
330.24152	4.7
337.11871	5.9
339.13394	18.5
340.14114	8.7
341.12076	2.3
341.14990	51.2
348.25204	5.3
349.25684	3.9
351.13431	7.2
352.14124	8.3
353.14975	22.8
357.14429	4.3
358.15335	3.5
369.14691	2.4
371.15869	11.2
372.16736	6.1
373.17813	12.6
385.17535	5.9
390.18289	4.5
391.19287	2.4
418.17593	9.1
446.20709	5.0
450.19983	5.2
451.20868	3.8
460.22903	2.8
462.20313	8.2
464.21664	6.0
474.19901	5.8
476.21814	4.0
478.22849	4.3
479.24173	5.2
480.24643	3.8
492.21088	4.0
494.22446	6.3
504.21518	11.1
505.22113	25.7
506.22873	83.5
507.23331	2.7
523.22968	4.8
536.23901	6.2
537.24762	100.0
538.25488	80.6
627.28235	53.0
659.30853	53.9
659.41565	3.4
660.30359	3.3
666.26117	4.1
667.27338	64.5
668.28180	18.0
699.30066	50.1
700.30957	5.3
704.42212	2.5
789.33325	3.1
820.51013	6.9
821.36310	5.3
821.50708	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.7
57.07065	2.2
65.03925	3.6
65.31115	1.2
67.05160	2.3
67.05506	41.0
67.05866	2.4
69.03429	1.8
69.07063	31.0
71.04976	2.4
79.05495	49.0
81.03416	7.3
81.07055	55.1
82.69177	1.2
83.04977	6.4
83.08623	6.7
83.67734	1.0
85.06538	2.3
86.29635	1.1
90.91515	1.1
91.05479	69.4
91.44445	1.3
93.07045	50.4
93.94241	1.1
95.01326	8.8
95.04964	13.0
95.08604	37.2
97.06532	17.5
97.10156	1.7
99.08092	2.0
103.05440	2.8
105.04498	2.9
105.07030	91.4
107.04962	14.0
107.07922	0.9
107.08589	22.4
109.06498	5.0
109.10181	9.0
111.08096	2.1
117.07016	18.4
119.08585	53.9
121.06508	3.1
121.10139	16.6
123.04398	1.2
123.08061	4.9
123.11707	2.9
125.09654	1.4
128.06238	2.0
129.07004	7.2
131.08568	31.7
131.09552	1.5
133.10130	46.4
135.08066	2.7
135.11699	10.4
137.09627	2.6
141.07002	2.6
142.07809	1.9
143.08557	8.6
145.10115	22.2
147.08113	1.6
147.11688	26.9
149.09618	6.1
149.13243	5.3
155.08556	2.0
157.10098	5.7
159.08076	1.4
159.11674	16.6
161.09648	2.0
161.13255	13.4
163.11160	3.8
163.14806	1.8
165.09085	1.7
169.10126	3.0
171.11682	6.5
173.13274	7.7
175.11224	1.8
175.14832	5.2
177.12727	3.4
179.14317	9.9
183.11716	2.0
185.13257	4.9
187.11110	2.9
187.14806	2.4
199.14841	4.1
201.12703	1.5
211.14783	1.5
217.19623	1.2
219.17526	1.9
231.21107	2.9
239.17923	1.5
241.19492	14.2
257.18976	5.0
259.20602	24.4
275.20059	61.0
276.20325	1.8
277.21603	2.2
279.16006	2.1
284.49780	1.2
293.21237	1.7
313.21634	1.4
315.23145	9.4
333.24249	51.6
335.25732	1.8
349.23743	44.1
437.34375	1.5
513.35748	3.3
607.43536	100.0
608.43604	5.5
625.44641	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.5
63.02368	0.4
65.03931	3.4
67.05500	0.9
69.03431	1.0
69.07062	0.5
69.80087	0.7
70.06593	2.5
72.08154	0.9
75.04465	1.9
77.03931	0.7
78.04697	1.7
79.05494	2.8
81.03420	1.4
81.07070	0.8
82.04179	0.6
84.04487	0.4
85.02905	4.9
86.09707	1.0
89.03898	0.6
89.06020	0.4
91.05481	5.3
93.03407	6.4
93.07037	2.2
95.04964	4.6
95.08582	0.6
97.02887	1.1
97.06532	1.6
102.04696	0.8
103.05464	11.0
104.06274	0.4
105.03387	1.0
105.04515	1.1
105.07037	3.8
106.04173	11.6
107.04955	5.8
108.02137	0.4
109.06522	0.6
109.89308	0.4
110.03667	0.9
111.04411	0.6
115.05450	2.9
117.03385	0.7
117.06998	2.2
118.04164	2.8
119.04946	1.3
119.08547	0.5
120.05756	0.5
120.08137	0.7
121.06506	15.4
122.03693	0.4
122.07294	0.4
123.04414	2.4
123.08088	0.4
124.05210	1.3
125.05984	5.6
127.03959	0.5
129.06993	0.7
130.04115	0.7
131.04926	11.9
131.08559	0.5
132.05713	0.8
133.02866	1.1
133.06483	5.9
134.03621	2.1
135.04375	1.4
135.08052	1.3
136.07628	0.3
137.05934	3.2
138.03154	0.6
139.03940	0.4
139.07579	1.6
141.06989	0.5
143.04947	0.6
144.05704	1.3
145.02837	0.5
145.05008	0.4
145.05382	0.4
145.06465	3.2
146.03561	0.7
146.07188	0.3
147.04387	0.5
147.08043	1.6
148.05168	5.9
149.05975	24.2
150.06616	0.4
151.03929	1.7
151.07545	2.0
152.04692	0.7
153.05461	4.0
153.09096	7.3
155.05963	0.7
155.07028	0.4
156.05637	0.4
157.06464	0.6
159.04434	0.5
159.08022	1.2
160.05215	0.5
161.05975	5.5
162.07652	0.7
163.03902	1.6
163.07533	12.1
165.05476	0.8
165.09169	0.7
166.06189	0.6
167.07034	32.9
171.04401	0.5
171.06549	1.8
173.06007	3.6
175.07532	2.1
176.04634	1.1
177.05461	16.1
177.08864	0.7
178.06226	0.3
179.06998	0.9
179.08525	0.5
180.08801	0.4
181.04950	43.3
181.08542	13.5
182.05356	0.4
187.07544	2.3
189.05403	0.7
190.06209	1.0
191.07022	47.5
192.07549	1.1
193.04993	0.6
193.08624	3.1
195.06516	2.9
201.05493	0.8
203.07011	1.7
205.08611	2.6
207.06514	1.3
207.08342	0.5
207.10184	1.3
209.08075	100.0
210.08432	1.2
210.24481	0.4
211.04898	0.3
217.08598	1.2
219.08170	0.7
219.10165	2.6
221.07959	0.5
225.07494	0.9
229.08586	0.6
233.08063	2.9
234.08905	0.5
235.07527	0.6
235.09601	3.4
236.08028	0.4
237.09216	0.5
240.12521	0.3
245.08113	1.1
247.07440	0.5
252.07880	0.8
255.09987	0.3
257.07959	0.5
263.09146	15.1
264.07733	0.6
265.08365	0.5
267.10046	2.3
278.09180	0.3
279.10056	0.7
281.08066	0.5
282.08957	0.4
292.07355	0.4
293.08032	0.9
295.09570	0.6
297.11182	1.0
307.09805	0.8
309.07889	0.5
325.10724	1.6
329.13785	0.5
331.11636	0.4
337.10709	0.5
338.06958	0.4
339.12292	0.7
344.12607	0.4
345.13272	0.4
353.10080	0.5
355.11804	0.6
357.13297	3.6
359.14908	0.5
367.11490	0.8
369.13058	0.7
371.15027	0.5
385.12738	6.1
387.14288	0.7
399.14383	2.6
417.15430	19.5
418.15604	0.6
609.22522	1.1
626.21240	0.5
825.37164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.6
61.02930	6.5
67.05505	9.2
68.05032	4.2
69.03412	4.5
69.05789	1.1
69.06741	0.6
69.07054	3.2
69.99584	0.7
70.06592	13.2
71.05003	1.8
72.49329	0.6
73.02916	5.3
79.05493	8.1
80.05007	6.0
81.03422	1.9
81.07059	8.1
82.06585	8.1
83.05032	0.8
83.08630	1.7
84.08138	5.1
85.02897	5.8
87.04450	0.9
91.03984	3.1
91.05473	3.7
93.07041	7.9
94.06568	1.7
95.04996	2.2
95.08605	5.5
96.08133	5.1
97.02917	5.2
97.06537	0.8
97.10182	1.6
99.15936	0.5
101.02402	1.6
105.07072	1.9
106.06562	2.2
107.08620	2.7
108.08141	1.1
109.02917	0.6
109.06557	0.7
109.10167	2.5
110.06080	0.8
117.07124	0.9
118.06586	0.8
119.08596	1.4
120.08163	0.8
121.10173	1.8
122.06062	0.6
124.07613	1.9
125.09677	0.8
126.09184	1.8
127.03974	1.5
129.07034	0.5
131.08624	1.1
132.08160	1.1
133.10121	1.2
135.11737	1.2
138.05536	2.0
145.10156	0.9
164.19714	0.6
171.11774	0.6
179.66968	0.6
206.15500	1.9
216.13980	2.0
224.16695	0.7
226.18059	0.6
234.14856	9.9
234.16882	0.8
236.16438	8.9
236.18686	0.8
238.18068	1.0
250.18127	0.8
251.34755	0.7
252.16068	1.9
254.17513	10.9
264.16046	1.2
268.30215	0.6
276.16302	0.7
278.17575	2.3
279.00089	0.6
290.17645	0.9
296.18521	3.0
308.18680	0.8
310.20279	2.1
326.19733	1.0
328.21231	2.3
335.25949	2.6
370.21854	0.6
373.18246	0.6
382.68478	0.6
530.37701	0.7
570.41565	0.8
586.40717	4.8
588.42523	8.9
630.43774	3.4
650.64661	0.8
748.46075	2.1
750.47589	1.1
792.48883	100.0
793.49255	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.3
61.02924	3.4
65.03934	4.0
67.05505	97.2
69.03431	9.8
69.06709	1.7
69.07071	31.8
69.29989	4.6
70.04231	1.0
70.36182	1.0
71.05008	5.7
71.08617	1.3
73.02921	1.9
77.03921	1.5
79.05498	70.2
81.03423	14.3
81.07058	100.0
83.04984	11.4
83.08617	17.0
85.02907	5.8
85.06554	4.2
91.05482	52.0
93.07046	87.7
95.04974	13.3
95.08607	63.2
97.02898	6.5
97.06528	11.4
97.10163	9.4
99.04430	1.0
99.08088	4.6
103.05479	1.9
105.04520	3.8
105.07030	41.2
105.07737	2.1
107.04947	9.5
107.08597	48.4
109.02908	1.1
109.06505	8.9
109.10159	29.7
111.04432	1.4
111.08094	5.6
113.09614	2.0
115.05409	2.3
117.07016	19.1
119.08585	35.7
121.06501	4.7
121.10146	36.7
123.08054	5.9
123.11706	7.5
124.92928	1.2
125.09632	6.0
127.03918	5.0
128.06236	1.1
129.05493	2.2
129.06993	10.0
130.07755	1.3
131.08572	27.9
133.06543	2.5
133.10127	32.6
135.08063	4.3
135.11697	22.3
137.09596	5.1
137.13252	1.2
139.11107	1.8
141.06966	3.4
142.07774	1.3
143.08603	8.2
145.06468	1.8
145.10135	21.7
147.08049	2.9
147.11684	20.7
149.09637	10.3
149.13263	16.5
151.11176	3.1
154.14066	1.1
155.08543	3.6
157.10088	6.6
159.11710	18.1
161.09601	1.5
161.13303	8.2
163.11226	5.8
163.14838	2.3
165.12744	2.4
169.10098	3.4
171.11710	6.7
173.11823	1.5
173.13243	10.0
175.11130	1.9
175.14821	2.4
177.12718	5.0
179.10794	1.5
179.14317	1.4
181.12265	1.2
183.11693	4.3
185.13261	6.4
187.14847	3.5
189.11258	1.9
189.16368	2.2
195.13788	2.8
197.13268	2.9
199.14815	3.4
201.12750	1.4
201.16432	1.2
205.12132	1.1
217.15849	2.3
219.17493	1.4
227.12804	4.8
229.14323	2.2
229.19519	3.2
235.16901	1.6
239.18031	3.2
243.21080	3.7
254.92990	1.1
255.15762	5.1
257.19058	11.6
259.20569	2.5
261.22134	12.9
269.17480	19.0
275.20078	26.5
277.21487	1.4
291.19437	2.8
293.21072	3.4
309.20526	2.3
317.24719	2.4
331.22525	3.0
333.24246	2.6
335.25803	91.6
336.26199	2.3
338.15411	1.2
349.23743	25.2
367.24777	4.6
413.21671	1.8
437.34097	1.4
489.35782	2.2
505.35431	1.3
515.37366	10.1
529.38879	42.3
530.38989	1.5
547.40540	1.6
569.42059	9.8
609.45099	31.1
610.44775	1.2
627.46320	6.9
666.89740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61499	0.6
59.04993	0.9
59.26179	0.6
60.35147	0.6
61.02911	1.9
65.03920	2.5
65.70560	0.7
67.05502	45.7
69.03414	3.6
69.06709	1.0
69.07063	17.1
71.01395	0.8
71.04969	2.6
77.03899	0.9
79.05489	35.7
79.63666	0.7
81.03401	3.7
81.07050	42.1
83.04967	3.5
83.08614	9.3
85.02904	2.5
85.06537	2.0
91.05476	29.3
93.07038	37.3
95.04966	8.0
95.08598	33.2
97.02894	2.0
97.06525	6.5
97.10162	10.0
99.04476	1.0
99.08098	2.0
103.05490	0.8
105.04495	2.1
105.07023	28.2
105.07729	1.4
107.04960	3.5
107.08585	30.1
109.02882	1.0
109.06531	3.5
109.10150	14.9
111.04462	0.7
111.08086	2.7
113.06063	0.6
113.09612	1.1
115.05431	1.8
116.06335	0.7
117.07005	12.6
119.08577	20.4
119.30194	0.7
121.06490	1.9
121.10139	17.2
123.08036	2.4
123.11681	4.0
125.09628	7.0
127.03897	1.9
128.06230	1.3
129.05492	1.3
129.06982	5.3
131.08563	16.5
133.06561	0.9
133.10117	15.0
135.08063	2.4
135.11682	9.2
137.09604	1.2
137.13281	1.0
139.11192	0.9
140.94603	0.6
141.07004	1.4
142.07761	1.3
143.08559	6.0
144.09285	0.9
145.10121	15.9
147.07996	0.8
147.11667	12.0
149.09618	7.0
149.13254	5.0
151.11142	1.2
155.08553	2.2
157.10139	6.2
159.08034	0.7
159.11690	14.0
161.09547	1.6
161.13219	6.6
162.85062	0.6
163.11169	5.5
163.14804	2.4
169.10130	3.9
171.10266	1.4
171.11646	6.2
173.11777	1.3
173.13208	9.1
174.02921	0.8
175.11189	1.8
175.14786	3.2
177.12785	2.1
177.16423	0.7
179.10706	0.7
179.14334	1.1
183.11658	4.0
185.13222	7.2
187.13400	0.7
187.14828	3.2
189.11235	5.4
189.12698	1.2
189.16399	0.7
191.14378	1.0
195.11787	0.8
197.13266	2.4
199.14804	1.0
201.12654	0.9
201.16373	1.8
203.14268	2.8
205.15884	1.1
209.13295	0.7
211.14761	1.0
213.16277	1.1
215.17952	2.1
217.15836	1.0
219.17421	2.3
223.13257	2.2
227.12767	16.2
227.16150	0.9
229.14336	2.1
229.19528	2.5
237.16348	1.0
239.18005	6.1
241.19711	1.4
243.21080	2.2
247.17012	0.7
247.20500	1.9
255.15869	1.5
257.18964	18.8
259.20544	3.8
261.22089	10.1
269.17303	3.8
273.18341	1.1
275.20056	37.4
276.20459	1.2
277.21637	1.7
279.19379	0.8
293.21039	5.0
299.15256	0.7
301.21719	0.7
303.22845	0.9
313.21515	0.8
317.24780	1.2
321.24237	0.8
331.22717	8.1
333.24222	3.9
335.25778	100.0
336.26227	3.2
337.27457	1.2
349.23706	38.2
350.24271	1.0
351.25522	1.5
367.24771	5.1
389.18063	1.2
431.31433	1.2
489.35629	2.2
505.35037	3.1
513.39154	1.2
515.37000	3.1
517.40234	2.3
529.38977	4.2
535.41260	1.9
543.40002	0.8
555.39984	1.3
569.41602	1.2
591.44312	1.6
609.45093	62.3
610.45435	3.1
627.46063	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.9
61.02927	2.1
65.03939	3.2
67.05505	44.3
69.03426	2.0
69.07066	16.1
69.38097	2.5
70.06585	0.8
71.05004	2.5
73.02919	1.3
77.03934	1.1
79.05489	39.4
81.03426	1.7
81.07055	42.4
83.04990	2.6
83.08620	8.9
85.02921	2.4
85.06541	2.0
91.03969	1.9
91.05477	43.2
93.07043	43.4
95.01311	0.9
95.04971	7.0
95.08602	35.4
97.02900	2.1
97.06538	3.3
97.10152	3.5
99.08109	1.9
103.05473	2.7
105.04550	2.6
105.07028	44.6
107.04958	1.7
107.08591	24.4
109.06522	3.1
109.10152	13.9
111.08114	1.2
115.05459	2.6
117.07018	21.7
119.08575	32.3
121.10149	18.3
121.10985	1.3
123.08072	1.6
123.11740	2.7
125.09624	2.2
127.03953	0.7
128.06219	3.1
129.07004	15.2
130.07800	2.9
131.08560	25.2
133.06581	1.2
133.10132	23.3
135.08089	2.0
135.11685	11.3
136.39159	0.7
137.09615	1.2
137.13315	1.1
139.11156	1.2
141.07013	6.0
142.07806	2.4
143.08566	14.5
144.09381	1.4
145.06505	0.8
145.10112	24.4
147.11697	16.9
149.09573	1.3
149.13249	7.0
151.11200	0.8
154.07823	0.8
155.06007	0.7
155.08554	10.3
156.09344	1.1
157.10126	16.6
157.11403	1.1
159.08011	0.8
159.11696	19.0
159.12939	1.2
161.09642	1.3
161.13272	8.4
163.11211	1.3
163.14859	2.4
165.07074	0.8
166.07768	1.1
167.08588	5.0
168.09372	1.1
169.10120	12.2
170.10927	1.0
171.11694	15.0
173.09605	0.6
173.13257	10.4
175.11176	0.6
175.14780	3.5
177.12758	0.8
179.08609	1.7
181.10132	6.6
182.11014	0.7
183.11691	15.4
183.95132	0.6
184.12466	0.8
185.13232	11.1
185.14740	0.9
187.14777	5.5
189.12811	1.2
189.16406	2.1
193.10196	1.6
195.11676	6.3
196.12456	0.7
197.13239	9.8
199.14798	7.7
201.16418	2.0
203.14375	0.8
203.18073	1.4
205.10144	0.8
207.11700	1.8
209.13297	5.1
211.14847	6.9
213.16476	4.0
215.17920	1.0
217.15892	0.8
219.17451	0.7
221.13330	1.9
223.14777	4.8
225.16403	4.4
227.18004	2.6
231.17378	1.0
231.21022	0.8
235.14822	1.9
237.16373	3.4
239.18015	2.9
241.19591	2.8
247.14638	0.8
247.20914	0.7
249.16461	1.9
251.14134	0.9
251.18085	2.3
253.19591	1.9
255.17303	0.9
257.19012	5.1
259.20605	6.3
261.16354	0.9
261.22305	1.2
263.18054	1.3
265.19443	1.3
269.18903	0.9
271.20560	1.1
273.22223	1.0
275.20197	1.2
279.21127	0.8
283.20682	1.7
285.22177	0.9
291.21255	1.1
293.22665	0.9
295.20679	1.0
297.22116	1.2
299.20303	1.2
299.23645	0.8
311.20325	0.8
314.15329	0.7
323.23660	1.5
325.25299	1.0
331.22659	1.3
333.24304	7.2
335.26276	3.4
337.25305	1.1
339.23288	1.1
341.24756	1.1
345.24408	0.8
349.25174	1.1
351.26688	1.9
353.24725	1.3
357.24225	1.1
361.25235	0.8
365.28622	1.5
369.28113	1.3
379.30273	1.1
386.56931	0.7
391.30322	1.4
393.27542	1.0
405.27417	0.7
407.29190	1.1
409.30945	0.8
417.31610	0.8
421.31006	1.2
423.32462	0.9
433.30283	0.9
435.33005	0.7
447.11060	0.6
447.32510	2.2
461.32990	0.9
465.33350	1.0
473.32867	1.1
483.34659	1.4
499.39822	1.6
501.35672	2.1
513.36005	1.3
515.37451	2.2
517.40442	10.5
521.36090	1.3
525.34943	0.9
527.37097	1.6
529.38983	1.0
535.41394	6.1
539.37213	3.2
540.37616	1.0
541.38965	1.1
553.39813	0.8
591.44073	8.5
609.45111	100.0
610.45172	4.3
735.48755	1.0
753.49402	0.9
771.50006	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	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48445	0.9
61.02932	1.0
61.88147	0.9
67.05508	18.0
68.05039	2.2
69.03431	39.1
69.07072	8.4
69.40745	2.3
69.41132	1.9
70.02944	2.3
70.06594	2.2
71.04991	2.3
75.69011	1.1
79.05499	11.5
81.03429	2.6
81.07050	11.6
82.06570	3.3
83.04962	1.9
83.08607	1.7
84.04495	3.1
84.08142	17.2
85.02911	2.8
86.06059	3.2
87.04472	14.4
87.67091	1.4
88.03975	2.6
88.66029	1.0
91.05461	7.2
93.07040	6.8
94.06562	4.2
95.04974	3.9
95.08618	9.0
96.08138	1.6
97.24284	1.0
98.06037	2.7
102.05540	6.3
102.29276	1.1
105.07023	3.0
107.08605	4.0
109.10156	6.8
112.07605	86.1
117.07018	1.6
119.08556	2.2
121.10148	3.3
122.06062	1.2
127.08468	1.1
131.08578	2.0
133.10197	1.6
135.11674	1.7
137.55873	1.0
140.07059	100.0
141.07385	1.5
149.09651	1.7
158.08112	11.6
159.11685	1.2
163.11211	2.6
173.11783	2.1
174.07652	1.5
184.07375	2.2
208.13469	1.2
222.77087	1.4
229.14381	3.5
261.22183	1.8
267.15973	1.5
294.16943	2.6
302.12225	2.4
335.25601	7.1
368.20560	1.3
368.91144	1.0
386.21747	1.6
404.22903	1.4
411.90695	1.1
489.35617	1.6
628.41895	2.0
646.43146	16.6
664.44080	32.6
665.44031	1.8
723.96692	1.2
783.95862	1.3
808.48468	1.8
826.48505	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	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.3
62.10714	0.5
65.03942	0.9
67.05507	14.1
68.05024	1.1
69.03424	8.0
69.05832	0.6
69.07072	3.1
69.55865	1.5
70.06590	7.7
71.04992	88.7
72.05329	0.6
73.02920	3.8
73.66968	0.5
79.05492	11.8
80.05015	0.5
81.03424	2.9
81.07051	10.0
82.06566	0.8
83.04986	1.1
83.08637	2.6
84.04464	0.6
84.08147	5.2
85.02903	4.1
86.06071	5.9
87.04456	0.7
88.03984	3.8
91.03959	2.6
91.05484	7.0
93.07052	7.9
94.06595	0.6
94.09540	0.6
95.04968	2.5
95.08607	6.3
96.08129	9.2
97.02899	5.1
97.10175	4.5
98.06075	3.9
99.04469	0.6
101.02374	1.2
105.04530	1.2
105.07022	3.1
106.06582	1.4
107.08598	5.7
109.06519	1.2
109.10126	2.5
111.08108	1.1
112.07599	8.0
114.05563	1.0
117.07006	1.2
119.08590	2.1
121.10150	3.1
123.08070	0.7
124.07577	4.8
125.09608	3.0
127.03938	0.8
131.08597	2.2
133.10138	1.5
135.08060	1.6
135.11694	1.1
140.07074	1.2
141.07843	1.3
142.08617	5.9
145.10132	1.0
149.09651	0.5
153.09155	1.1
158.08125	9.9
163.11177	0.8
170.08118	2.6
189.11241	1.1
202.10725	1.2
227.12801	2.8
232.13368	0.6
248.16479	1.1
250.14459	0.7
253.00349	0.6
335.25784	6.3
646.43640	0.8
664.44153	1.8
784.44775	0.6
826.49396	100.0
827.49866	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	826.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.2
65.03913	1.1
67.05505	18.5
68.05016	1.6
69.03428	46.7
69.05761	0.8
69.07066	8.6
70.06590	2.6
70.31327	0.7
71.04991	1.7
72.04489	1.8
73.02879	0.9
77.62938	0.8
79.05492	10.1
80.05000	2.4
81.03410	3.4
81.07057	12.0
82.06593	4.5
83.08617	1.9
84.04498	4.0
84.08139	22.9
85.02920	2.0
86.06070	5.1
86.09723	1.3
87.04467	10.6
88.04012	0.8
91.05489	7.4
93.07039	10.1
94.06566	4.3
95.04977	3.7
95.08611	8.1
96.04480	1.8
96.08118	1.0
97.02895	2.1
97.10136	0.9
98.06057	2.5
102.05545	3.0
105.07059	3.6
107.04935	1.0
107.08576	3.6
109.10149	6.1
110.06043	1.3
112.07604	100.0
117.07045	1.0
119.08591	3.3
121.10140	3.9
124.07606	1.2
125.00037	0.9
129.07062	0.8
131.08560	2.2
133.10136	2.2
135.11723	1.9
135.52385	0.8
136.07536	0.9
138.70534	0.7
140.07060	92.9
141.07356	0.9
142.08583	0.8
145.10094	2.7
147.11665	1.0
149.09628	2.0
153.30568	0.8
158.08124	11.2
159.11656	1.4
162.12724	0.8
163.11168	2.9
164.07089	1.1
173.09579	0.9
173.13240	0.9
180.13818	3.1
184.07327	1.4
190.12259	0.9
191.10738	2.1
193.12270	1.5
208.13313	2.1
229.14328	3.1
246.09860	1.1
261.22095	1.4
266.10416	0.9
266.17590	0.9
267.15906	3.4
276.15967	2.1
294.16953	2.3
302.12341	6.5
312.18027	1.6
335.25827	8.2
368.20609	1.4
385.87112	0.8
386.21350	1.7
489.35751	4.7
527.36975	2.7
545.38715	0.8
628.41925	3.6
646.43158	44.9
647.42847	2.5
664.44135	16.0
756.95782	0.9
790.47162	1.4
794.49957	4.6
808.48425	6.4
826.49561	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	826.4948
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02926	5.0
65.03937	0.8
67.05503	12.5
67.80408	0.5
68.05022	0.9
68.24121	0.4
69.03427	7.7
69.05817	0.5
69.07077	2.7
70.02962	0.9
70.06593	7.5
71.01363	1.0
71.04993	82.4
72.04518	0.7
72.05344	0.5
73.02924	3.4
79.05494	11.5
80.04996	0.7
81.03410	3.1
81.07053	8.7
82.06576	0.7
83.04972	1.2
83.08626	3.3
84.08143	4.9
85.02907	4.2
85.91624	0.5
86.06065	5.2
87.04463	0.6
88.03996	4.1
88.63349	0.4
91.03969	2.2
91.05484	5.0
93.07043	8.3
94.06569	0.7
95.04944	2.4
95.08601	5.0
96.08134	9.4
97.02893	4.5
97.10172	4.3
98.06049	3.6
98.23486	1.1
100.07612	0.5
101.02377	1.2
102.05581	0.6
104.10750	0.7
105.07018	2.5
106.06573	1.5
107.08585	4.4
109.06535	0.6
109.10153	2.5
111.08089	2.0
112.07612	6.0
114.05566	0.8
114.09161	0.7
116.46910	0.5
117.07027	1.5
119.08601	1.9
121.10164	1.7
122.59590	0.5
124.07597	4.0
124.08387	0.7
125.09624	4.0
127.03941	0.9
131.08595	1.6
133.10173	1.0
135.08076	2.2
135.11725	1.1
137.79013	0.5
140.07083	1.0
141.07886	0.9
142.08643	6.4
145.10150	0.9
153.09148	1.6
158.08142	7.6
159.11674	0.7
170.08125	2.6
189.11229	1.3
202.10776	0.5
224.35611	0.4
227.12738	2.5
229.14153	0.6
248.16475	0.8
335.25754	4.5
339.94348	0.5
441.67896	0.6
646.43555	0.8
655.93921	0.6
658.42194	0.6
664.44202	1.9
826.49377	100.0
827.49976	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.2
61.88795	0.8
65.03959	1.0
67.05508	16.1
68.05025	1.7
69.03431	41.9
69.07069	7.2
69.65015	2.6
70.02959	0.9
70.06596	2.9
71.04992	2.0
72.04507	2.2
72.93020	0.8
79.05488	8.4
80.05012	1.5
81.03419	3.3
81.07067	9.6
82.06580	3.5
83.08628	1.5
84.04501	3.4
84.08145	21.8
85.02911	1.8
86.06062	4.6
86.71955	0.9
87.04471	10.5
91.05482	8.0
93.07050	8.7
94.06565	4.6
95.04963	3.7
95.08607	7.7
96.04491	1.3
96.08121	0.8
97.02895	1.2
98.06053	3.0
98.22833	1.5
102.05547	5.9
105.07038	3.7
107.08598	3.9
108.08131	1.0
109.10144	6.4
110.06053	1.3
112.07607	100.0
114.05518	1.0
117.07024	1.6
119.08570	3.3
121.10163	3.9
123.11671	1.0
124.07564	1.5
126.09266	0.8
127.03949	0.8
131.03001	0.9
131.08530	1.4
133.10161	1.2
135.11682	1.9
137.09610	0.9
138.05577	0.8
138.09189	0.8
140.07063	87.2
145.10092	2.5
147.11636	1.2
149.09625	2.6
149.13208	1.1
152.07059	1.9
158.08138	10.2
163.11160	3.6
164.07077	1.8
174.07585	0.8
180.13876	3.1
182.11841	0.9
184.07327	1.8
190.12180	1.8
191.10750	1.6
193.12228	1.6
208.13327	2.3
229.14360	2.8
261.22144	1.6
266.10226	1.1
266.17380	0.9
267.15988	4.1
276.15961	2.9
288.94116	0.7
294.16986	2.3
302.12375	5.5
335.25708	5.9
368.20679	1.3
373.09305	0.8
373.27823	0.8
386.21899	1.6
404.22543	0.8
417.56848	0.8
489.35669	3.4
492.32675	1.0
545.37946	1.2
628.41901	2.2
646.43073	49.3
647.42987	1.6
648.51984	0.9
654.54620	0.8
664.44165	18.3
794.49579	1.8
808.48163	5.7
820.43134	1.1
826.49432	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	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.3
61.02927	6.6
61.25982	0.6
67.05505	35.5
69.03422	1.2
69.07073	3.7
70.63581	0.7
71.04975	2.4
71.08269	1.0
71.08630	12.5
73.02901	2.4
79.05497	1.1
81.03408	1.6
81.06622	1.1
81.07057	12.1
83.08618	6.7
85.02898	8.5
85.06534	1.9
85.10175	7.5
86.55029	0.7
89.06039	0.8
91.03956	7.9
91.05491	3.0
93.07027	2.2
95.08609	13.3
97.02879	5.0
97.10147	2.4
103.07576	0.8
105.06992	0.7
107.08593	1.4
107.41397	0.6
109.02852	0.9
109.10155	51.1
111.08089	2.7
111.35055	0.7
119.08592	3.2
119.09322	0.6
123.11674	2.3
127.03897	2.4
137.09587	2.9
137.13246	0.9
137.67990	0.6
145.04980	3.9
155.10661	4.5
163.05989	3.9
170.17799	0.6
171.11578	0.6
173.11743	15.9
184.07365	0.7
221.00116	0.6
229.14343	100.0
230.14716	1.4
239.23735	1.7
257.24817	2.6
313.27353	75.8
314.27762	2.0
467.37323	66.8
468.37509	2.3
611.46521	2.2
826.47717	2.9
827.49207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64966	0.3
61.02928	4.5
61.83438	0.3
67.05504	4.4
69.03429	3.1
69.07065	3.4
70.06599	1.1
71.01340	0.4
71.05000	0.4
73.02920	3.5
79.05492	4.8
81.03414	1.7
81.07053	5.1
82.06070	0.3
83.04991	0.6
83.08633	0.6
83.32225	0.3
83.94228	0.3
84.58683	0.3
85.02903	5.2
85.06580	0.3
88.01728	0.3
91.03956	2.8
91.05470	4.9
91.05991	0.5
93.07046	5.6
95.01357	0.5
95.04983	0.9
95.08612	3.4
97.02892	4.7
97.06547	0.7
99.04478	0.9
101.02370	2.1
103.03930	0.3
105.04534	0.5
105.07034	4.4
107.04983	1.2
107.08588	2.6
109.02900	0.6
109.10188	1.4
109.86479	0.3
115.03982	0.4
117.07001	1.4
119.08580	3.8
121.10155	2.0
127.03957	1.2
128.53389	0.3
129.07002	0.5
131.08615	1.4
133.10121	3.6
134.86754	0.3
135.11737	0.9
143.08614	0.4
145.10147	1.6
147.11690	1.8
149.09634	0.7
149.13326	0.6
157.10220	0.5
159.11742	1.1
161.13364	0.8
163.11160	0.4
171.11768	0.6
173.11792	0.3
173.13303	0.3
177.12776	0.3
179.14349	0.8
185.04247	1.0
192.04262	0.3
201.03706	0.5
203.05309	0.8
213.00212	0.3
229.14400	0.7
229.39511	0.3
230.15039	0.3
243.08414	4.7
259.20557	0.5
275.20175	0.7
287.16257	0.4
301.08926	1.8
313.09296	0.6
313.27374	0.3
314.27609	0.3
315.10672	0.9
315.19272	5.9
317.21011	0.7
327.52933	0.3
355.13773	0.4
355.22452	0.4
369.15585	0.5
371.17279	0.6
371.22028	1.1
373.11050	0.9
383.16718	0.5
413.23029	0.6
435.19675	0.3
465.21164	1.3
467.22754	0.4
495.22037	1.2
533.27234	12.0
535.28821	7.0
605.29309	2.4
619.30878	0.5
633.33502	0.4
647.33545	0.4
827.49103	100.0
828.49371	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26719	0.5
61.02934	3.5
67.05508	3.7
69.03450	1.9
69.07078	1.3
69.27969	2.0
71.01345	0.4
71.04996	0.8
73.02916	3.1
79.05500	3.1
81.03429	0.9
81.07053	3.8
83.08627	0.8
85.02905	4.1
87.04497	0.4
91.03934	2.5
91.05468	2.0
93.07054	2.5
95.04992	0.6
95.08612	2.7
97.02891	3.8
97.10211	0.7
98.23514	0.7
99.04491	0.5
101.02390	2.0
105.07056	1.9
107.08584	2.1
109.02878	0.4
109.10178	0.7
116.66006	0.4
117.07043	0.6
119.08565	1.0
121.10170	1.1
127.03958	1.5
131.08583	0.8
133.10245	0.5
147.11703	0.5
149.13307	0.7
172.56912	0.4
181.31390	0.4
185.04286	0.7
241.06664	0.4
243.08493	2.0
243.10701	0.5
333.20383	4.2
335.26208	0.5
373.44479	0.5
465.21127	1.3
515.54004	0.4
519.29224	6.4
551.28174	3.3
648.80603	0.4
829.50671	100.0
830.50995	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42355	0.2
60.28038	0.2
61.02927	4.3
61.76851	0.2
67.05507	3.1
69.03426	2.6
69.07070	1.5
69.30768	1.2
70.17661	0.2
71.01349	0.3
71.05008	0.3
73.02918	3.0
78.74802	0.2
79.05489	4.0
81.03425	1.2
81.07054	3.9
83.04979	0.4
83.08644	0.5
85.02913	3.6
87.04462	0.6
91.03956	3.5
91.04421	0.3
91.05480	5.0
93.07042	6.1
95.04988	1.1
95.08591	2.1
97.02898	3.7
97.06552	0.4
98.22639	0.3
99.04492	0.7
101.02386	1.6
103.03933	0.5
105.04553	0.4
105.07045	3.4
107.08605	2.6
109.02871	0.6
109.10149	0.7
115.03956	0.3
117.07058	1.0
119.08600	3.2
121.10160	1.8
127.03936	1.2
129.05533	0.6
129.07034	0.8
131.08604	1.1
133.10133	2.6
135.11708	1.2
143.08612	0.5
145.05025	0.3
145.10187	1.1
147.11684	1.9
149.13312	0.4
159.11742	0.6
161.13338	0.8
171.11766	0.7
173.13319	0.6
185.04213	1.5
185.13260	0.4
201.03732	0.5
203.05348	0.5
241.06888	0.6
243.08377	4.0
259.20676	0.9
299.20016	0.4
301.08893	2.0
312.60156	0.3
313.09097	0.8
315.10587	1.1
317.20810	1.2
327.10791	0.3
331.73434	0.3
355.13593	0.4
373.11227	0.5
373.23489	0.6
385.18677	0.5
397.18481	0.9
429.17603	0.3
437.21918	0.6
465.21161	2.3
467.22772	0.3
495.21826	0.4
525.23126	2.1
535.28766	15.2
536.29321	0.5
607.30981	2.1
621.32898	0.4
635.33478	0.6
649.35034	0.4
691.39093	0.4
731.43140	0.3
759.42706	0.5
829.50690	100.0
830.50952	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	830.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	95.3
65.03945	0.7
67.05499	4.3
69.03455	0.6
69.19420	2.0
69.19814	1.3
70.06605	1.5
79.05492	11.8
81.03411	3.9
81.07056	1.6
83.04990	1.1
85.02931	1.2
86.71096	0.4
88.07664	1.2
91.05484	10.1
93.07047	4.2
95.04964	3.7
97.06561	1.0
98.22707	1.0
105.03384	0.6
105.04539	1.0
105.07032	5.8
106.00472	0.5
107.04947	5.6
107.08618	1.6
115.05493	1.0
116.06202	0.5
117.07024	5.7
118.08698	1.3
119.04960	0.8
119.08568	2.3
121.02866	5.2
121.06503	2.3
121.10166	1.8
127.03976	1.4
128.06242	1.1
128.10753	1.5
129.07027	3.3
130.07809	0.8
131.04878	0.7
131.08568	5.7
131.09453	0.5
133.10207	1.0
135.08070	0.9
135.11765	1.9
140.98259	0.5
143.08640	1.3
144.10193	0.5
145.06540	2.1
145.10124	7.0
147.08006	2.8
149.09654	1.3
153.07021	0.6
155.08603	2.0
161.09627	1.2
163.11136	2.7
173.09587	5.9
173.10870	0.5
187.04028	0.7
189.01912	1.9
191.03474	0.7
191.10754	2.2
203.03479	1.5
207.03014	1.0
215.03458	0.8
219.02895	1.0
221.04636	0.6
243.03117	0.7
255.02902	0.5
267.06747	0.8
281.08188	1.3
283.06055	3.6
285.07690	0.5
291.06610	0.6
293.08304	0.7
294.05219	4.5
295.06009	10.5
295.09122	0.9
296.06757	1.1
297.07523	2.3
307.06000	16.4
308.06775	3.9
309.07526	5.3
313.07095	3.1
319.06161	1.9
320.06885	1.5
321.07565	8.1
322.08420	1.1
323.05731	1.1
323.09488	0.9
325.07065	13.2
327.08871	2.2
333.07602	4.8
334.08521	0.7
335.09036	4.3
336.06418	0.9
337.07065	19.8
339.08838	1.7
345.07452	3.4
347.09183	1.1
349.07080	8.4
350.07806	0.5
351.08621	6.9
355.08273	1.9
359.09167	1.0
361.07053	9.0
361.10629	0.6
363.08572	6.0
367.08142	3.1
373.07306	3.4
375.08969	1.3
379.08148	13.6
385.09625	0.6
387.08682	0.6
391.08127	16.8
393.09766	0.7
403.07825	2.6
405.09644	0.6
409.09195	5.7
415.08304	1.0
421.09137	2.6
427.10309	1.9
433.09476	2.1
439.10718	0.8
445.09344	1.0
457.10474	1.0
463.10669	1.5
475.10196	0.7
481.11493	1.6
493.11618	0.9
511.12286	0.6
515.17059	0.7
527.17395	1.0
569.18170	1.1
581.18933	0.6
599.19464	1.1
601.13330	0.6
617.20520	1.8
635.21368	1.7
647.21362	0.6
665.21954	2.4
689.22437	1.3
701.22449	1.1
719.23285	4.6
737.24457	7.3
740.29382	1.7
755.25323	4.8
794.30444	1.0
812.31299	4.4
830.32275	100.0
831.32770	5.3
850.30109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	87.7
59.89220	0.4
65.03951	0.8
67.05499	3.7
69.03443	0.6
69.18781	1.6
69.19189	0.8
70.06599	0.9
72.14334	0.4
73.40439	0.4
77.03939	0.4
77.65921	0.4
79.05501	9.4
81.03419	3.8
81.07066	1.4
83.04993	1.4
85.02901	1.1
88.07654	1.1
91.05482	8.7
93.07053	4.3
95.04979	3.2
97.06544	1.0
103.05495	0.5
105.03413	0.5
105.07040	5.6
107.04958	5.6
107.08614	1.4
107.72719	0.4
109.02920	0.6
109.06552	0.7
110.18832	0.5
115.05476	0.9
116.61749	0.4
117.07023	6.2
118.08676	2.2
119.04975	1.1
119.08565	2.3
121.02879	4.9
121.06503	2.8
121.10172	1.0
125.00882	0.4
127.03948	1.3
128.06236	0.5
128.10745	1.6
129.07024	2.6
130.07834	0.7
131.04919	0.7
131.08566	6.1
133.10135	0.6
135.08084	0.8
135.11748	1.6
143.08620	1.5
145.02899	0.8
145.06520	1.9
145.10129	7.1
147.08044	3.0
149.09676	1.4
153.07210	0.4
155.08562	2.3
161.09647	1.1
163.11188	2.4
172.51526	0.5
173.09607	5.1
189.01926	0.9
189.09196	0.5
191.10703	2.7
203.03476	1.5
207.02927	0.9
217.04999	0.7
219.03073	0.8
231.03006	0.5
255.02925	0.7
273.04062	0.7
279.06870	0.6
281.08243	1.1
283.05933	2.4
294.05243	2.8
295.06003	9.8
295.09097	0.9
296.06891	0.6
297.07486	2.8
305.08331	0.8
307.06015	15.8
308.06754	3.8
309.07553	5.4
313.07092	3.1
319.06082	1.2
320.06955	1.1
321.07529	7.4
322.08487	1.0
323.05774	1.0
323.09241	0.8
325.07071	11.2
325.10638	0.9
327.08804	1.7
329.08102	0.7
333.07654	4.7
334.08493	1.1
335.09125	3.3
336.06223	0.9
337.07068	18.1
339.08829	1.2
345.07645	2.7
345.11420	0.6
347.09140	1.1
349.07080	8.6
351.08566	4.8
355.08304	1.9
361.07043	8.7
363.08664	5.3
367.08096	3.0
373.07068	3.2
374.07889	0.5
375.08630	2.7
379.08145	12.5
379.12921	0.8
385.09467	0.7
387.08722	0.9
391.08118	16.7
392.08646	0.6
393.09787	1.1
403.08102	3.0
409.09238	6.7
421.09335	1.6
427.10364	1.7
433.09436	1.5
439.10449	1.4
445.09274	1.1
463.10336	0.8
475.10379	0.5
481.11703	1.6
511.12631	0.9
515.16693	0.7
527.17126	0.7
569.18195	2.0
581.18097	0.7
599.18982	1.0
617.20099	2.2
635.21631	2.5
647.21582	0.6
663.14301	0.6
665.22021	2.9
671.20905	0.6
689.22614	2.1
701.22754	1.1
719.23236	4.9
737.24231	7.1
740.29315	1.3
755.25549	4.4
794.30402	1.1
812.31323	5.2
830.32281	100.0
831.32062	5.0
857.65991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.5
65.03951	0.5
67.05499	6.8
68.05033	0.6
68.91863	0.4
69.07083	1.6
69.43528	1.9
69.72525	0.4
70.06589	24.2
79.05489	10.4
81.03442	0.7
81.07054	7.3
82.06123	0.6
82.06564	4.1
82.06968	0.4
83.04988	0.9
83.08616	0.6
84.08156	1.8
85.02927	0.9
85.06549	0.4
91.05473	6.9
93.03387	0.6
93.07040	6.2
93.07581	0.4
94.06594	1.8
95.05004	1.4
95.08604	5.5
96.08124	9.7
97.02979	0.4
97.06527	2.1
97.08914	3.2
98.09665	3.2
98.22652	0.8
105.04475	0.4
105.07026	4.3
107.08579	5.2
108.08164	1.6
109.10191	1.3
110.09676	5.2
111.10467	0.4
114.09148	2.4
117.07019	0.7
119.04970	1.1
119.08590	2.9
120.08134	0.4
121.02861	6.3
121.10113	2.0
122.09711	1.5
123.08110	0.6
124.11259	1.1
129.06985	0.5
131.08553	3.7
133.10172	1.4
134.09674	0.5
135.11642	0.4
136.11247	1.2
137.12024	0.5
138.12791	2.1
141.74463	0.4
143.08565	0.6
145.02890	1.3
145.10159	1.4
147.11702	2.5
148.11243	0.5
149.09610	0.6
150.12747	0.9
152.14442	0.9
162.12793	0.7
163.03932	0.5
164.14380	1.8
171.04326	0.4
173.13313	0.6
178.15938	0.5
180.13878	0.5
182.15514	1.7
186.81902	0.4
189.01846	1.9
191.03455	0.6
192.17534	0.8
195.02942	1.1
199.04024	0.7
201.05539	0.4
202.64314	0.4
203.03444	1.9
206.19090	0.7
207.02965	1.4
215.03430	0.7
217.05013	1.0
219.02895	0.9
220.20595	0.6
221.04559	0.8
227.03575	0.5
229.05067	0.5
230.19119	0.7
231.02921	0.7
233.04448	0.7
241.04933	0.5
244.17039	0.7
246.18597	1.5
248.20081	37.9
249.20552	0.7
255.02911	0.5
259.86771	0.4
264.19611	2.4
266.21130	46.0
267.06708	0.7
267.21545	1.3
268.07312	0.5
279.06638	1.3
281.08102	2.1
282.20563	2.9
283.06024	2.6
284.06659	0.6
284.22217	11.3
285.07874	0.5
291.06375	0.7
293.08130	1.1
294.05267	4.9
295.06021	15.7
296.06873	1.2
297.07507	4.1
305.08078	0.7
307.05991	16.2
308.06750	3.6
308.22400	1.4
309.04150	0.9
309.07523	8.2
311.09253	1.0
313.07147	2.2
319.05994	2.2
320.06769	2.4
321.07523	9.4
322.08560	1.0
323.05560	1.1
323.09247	1.3
325.07034	11.6
325.10556	0.7
327.08661	4.2
329.08182	0.7
331.06036	0.6
333.07553	5.4
334.08356	1.2
335.05667	0.6
335.09167	4.2
336.06287	0.9
337.07043	10.8
338.23102	0.5
339.05109	0.6
339.08472	2.1
345.07483	3.4
347.09225	1.5
349.07071	8.6
349.10928	0.7
350.07993	0.7
351.08542	4.4
359.09100	0.6
361.07001	7.5
363.08621	6.4
365.10211	0.9
367.08118	3.0
368.24438	0.5
373.06931	3.7
375.08701	2.6
377.06314	0.6
377.10397	1.1
379.08109	6.3
381.09799	0.7
387.08777	1.0
391.08105	12.9
393.09613	2.8
401.10483	1.1
403.08231	2.1
405.09897	1.1
409.09073	4.6
410.25308	3.5
415.08398	1.2
421.09491	1.4
427.10303	1.3
428.26611	1.6
429.11191	0.5
433.09341	1.9
439.10086	0.7
445.09366	1.0
451.10266	0.6
457.10080	0.6
463.10596	0.8
475.10690	0.7
481.11331	0.5
493.11383	0.7
536.85760	0.4
537.29401	0.5
572.26392	1.0
578.27869	0.5
584.26727	1.1
590.27277	0.9
602.27686	1.5
618.24255	0.5
620.27985	0.9
626.27740	2.4
638.27655	1.6
656.28528	3.3
674.29834	1.0
692.30774	1.3
710.31000	0.6
722.31757	0.5
740.32758	5.9
770.33899	0.9
776.32281	0.8
794.33759	4.9
812.34741	27.2
813.34790	1.4
830.35834	100.0
831.36292	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	830.359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	2.0
61.00399	1.7
67.05513	6.2
68.84215	1.7
70.06591	26.6
77.13697	2.0
79.05492	9.9
81.07069	7.3
82.06589	3.6
82.75159	1.5
84.08146	2.3
86.09724	1.7
91.05479	5.6
93.07070	7.8
95.08628	6.6
96.08135	5.5
97.08953	2.8
98.09718	2.5
98.22620	3.8
105.07072	4.6
107.08625	7.0
110.09694	5.2
114.09221	1.8
115.90942	2.2
119.04973	2.2
119.08637	3.3
119.46258	1.8
121.02897	8.1
121.10181	1.9
122.09614	2.3
131.08586	4.1
138.12791	2.2
147.04399	1.8
148.80029	1.5
149.16440	1.8
164.14394	2.7
178.93709	1.7
203.03384	2.1
248.20113	34.4
264.19836	1.8
266.21136	46.1
282.20673	2.8
284.22067	12.0
294.05353	3.6
295.06042	12.5
297.07574	3.3
307.06018	18.6
309.07721	6.1
313.07263	2.5
320.06909	3.0
321.07721	9.0
325.06989	10.7
327.08710	2.8
333.07693	4.3
335.09219	4.6
337.07062	11.8
349.07144	4.7
351.08823	4.7
361.07205	6.8
363.08719	4.8
367.08234	3.4
373.07172	4.8
379.08130	6.0
391.08124	12.1
396.44815	2.0
398.85370	2.0
409.09253	4.5
433.09610	4.3
439.10791	2.6
602.27594	3.2
626.27301	2.3
641.45447	2.1
688.61847	2.3
740.32672	7.5
741.34113	1.9
794.34222	5.1
812.34784	30.0
830.35834	100.0
831.36066	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	830.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72121	1.3
61.02932	1.7
65.03925	2.1
67.05506	9.8
69.03433	11.7
69.07066	9.3
70.06603	5.4
70.65277	2.3
71.04995	3.4
72.04523	3.1
72.08154	11.3
72.80034	1.5
73.02905	1.9
79.05507	6.5
81.03416	14.5
81.07053	16.6
81.07444	1.6
83.08681	1.7
85.02903	28.9
86.09728	3.0
87.04477	1.7
91.05485	33.6
93.07049	4.7
95.08598	15.2
97.02896	15.7
97.06535	9.4
98.09696	45.8
98.10320	2.8
99.04462	16.8
99.08081	11.6
103.03951	13.4
105.07016	8.9
107.08598	2.3
109.02885	11.7
109.10187	6.0
111.08069	1.8
113.09672	4.1
115.05457	1.5
117.07024	28.5
119.08606	2.9
120.08152	1.4
121.10189	3.2
124.11305	1.6
125.09690	2.2
127.03911	30.0
128.06126	1.6
129.07060	5.2
131.08568	40.6
135.11717	3.5
142.12277	41.1
142.13350	2.2
143.08647	3.1
145.04990	5.1
145.10202	5.2
149.13284	1.4
157.10182	3.3
171.11703	1.9
187.06001	3.1
229.14407	2.8
242.50232	1.6
283.09290	1.5
299.23859	2.7
344.29514	25.1
362.30530	89.0
404.31854	2.0
421.25952	2.6
452.26553	1.6
668.40070	95.1
669.40552	3.6
830.45398	100.0
831.45557	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	831.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.3
61.78456	0.6
67.05512	4.1
69.03426	4.6
69.07085	1.1
71.05005	0.7
71.08638	2.3
71.59792	0.6
73.02921	4.8
75.64529	0.6
77.68093	0.6
81.03441	1.5
81.07059	2.3
83.08601	1.1
85.02902	7.6
85.10195	1.3
87.04509	0.6
91.03951	6.0
95.08617	1.9
97.02895	8.1
97.10208	0.8
99.04428	0.9
101.02389	2.0
109.02908	0.9
109.10164	3.4
115.03956	0.6
127.03924	2.4
173.11656	1.2
185.04297	1.7
195.09950	0.7
199.04446	0.6
229.14648	0.8
243.08517	2.1
295.29956	0.7
301.76581	0.7
313.27597	1.7
347.09589	2.7
365.10654	2.0
405.13678	6.0
413.17813	7.4
497.30722	9.1
562.94031	0.7
575.22955	6.4
659.36133	9.7
669.41962	2.9
731.80798	0.7
831.47070	100.0
832.47406	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	831.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.9
64.86109	2.6
67.05526	3.4
69.03448	4.5
73.02927	3.8
85.02930	6.3
97.02921	4.8
109.10210	7.0
127.75239	3.3
213.38019	2.9
243.08334	3.1
326.90527	2.7
354.27869	3.1
405.13730	9.6
413.17844	15.4
497.30832	6.2
575.23083	15.3
659.36053	6.3
831.47101	100.0
831.63007	5.1
832.47321	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	832.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	4.0
61.40142	0.4
67.05507	4.2
69.07063	2.5
69.35630	0.4
69.71158	0.4
70.06603	2.4
71.07345	0.6
72.08147	3.0
79.05481	2.2
81.07053	5.8
82.06526	1.2
83.08577	1.4
84.08140	20.8
85.06528	0.5
88.07584	0.5
91.05441	0.7
93.06998	1.8
95.04939	0.4
95.07304	0.5
95.08606	4.2
96.07628	0.5
96.08121	3.7
97.06503	0.5
97.08897	0.6
97.10133	0.6
98.09704	2.0
98.22724	1.2
105.07018	0.5
107.08568	0.7
108.08087	0.6
109.10111	1.4
110.09681	7.6
111.08059	0.6
111.10472	2.3
112.11232	3.3
114.09111	0.5
119.04922	0.8
119.08576	0.8
121.02862	3.5
121.10162	0.4
124.11236	3.3
128.09871	0.6
128.10710	8.6
138.12706	1.0
145.02745	0.7
145.10030	0.4
166.15910	0.9
180.17439	1.1
189.01788	1.1
191.03484	0.6
194.18867	0.4
201.01796	0.6
203.03291	1.1
203.05083	0.5
207.02844	0.5
208.20584	0.4
209.04465	0.4
215.03427	0.5
219.02814	0.6
222.22150	0.9
250.21655	21.9
251.21915	0.5
254.21121	0.8
262.93771	0.5
266.21124	0.9
267.06421	0.4
268.07224	0.4
268.22705	53.6
269.23096	1.6
281.07962	0.7
283.06085	1.5
284.22159	1.5
286.23752	22.0
294.05246	2.7
295.06006	9.8
295.09122	0.8
296.06821	0.9
297.07614	1.3
307.06036	8.7
307.09576	0.3
308.06635	2.3
309.07574	4.1
310.23740	1.4
313.07083	0.5
317.08124	0.9
319.06033	1.3
320.06665	1.1
321.07550	5.1
323.05420	0.6
323.09149	0.9
325.07074	6.1
327.08527	0.9
333.07510	3.6
334.08450	0.5
335.09091	2.8
337.07056	6.7
337.10764	0.7
339.08658	2.0
340.24698	0.6
345.07520	2.0
347.09100	0.8
349.07071	4.2
351.08630	2.0
355.08105	0.7
359.09207	0.5
361.07025	4.1
363.08502	2.1
367.08282	1.8
373.06900	1.9
375.08630	1.3
379.08066	3.9
387.08795	0.7
391.08044	4.9
393.09586	0.8
403.08423	0.7
409.09155	2.7
412.26819	2.2
415.08304	0.8
421.09088	1.2
430.27951	1.5
433.09088	1.1
439.10046	0.5
445.09259	0.7
475.10208	0.5
493.11652	0.7
511.12714	0.7
574.28101	0.6
604.29340	2.1
622.29651	0.8
628.28925	0.7
634.29993	2.4
652.31970	0.5
658.30231	2.7
676.31335	2.1
688.31274	0.7
694.31433	0.7
706.32764	0.7
724.33337	0.9
736.33038	0.5
742.34247	3.2
766.34119	0.5
772.36176	0.8
778.33636	0.6
787.04779	0.5
796.35114	1.7
814.36346	6.2
832.37427	100.0
833.37311	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	832.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.5
70.06588	19.9
81.07067	7.4
83.08642	3.8
93.07081	3.6
95.08614	6.6
96.08153	3.6
107.08611	3.0
110.09740	3.9
121.02893	8.6
128.10770	3.2
181.26160	3.0
184.89426	2.6
233.73535	2.8
248.20100	3.4
250.21646	37.8
250.78044	2.6
263.09738	3.1
266.21304	2.7
268.22736	42.4
286.23834	7.9
295.06073	8.9
297.07800	3.6
307.06171	12.2
309.07709	7.7
321.07660	7.3
325.07224	11.6
327.08792	4.1
328.34656	2.8
330.92642	3.0
333.07785	4.7
337.07187	10.4
349.07205	6.9
351.08917	3.8
361.07092	5.9
363.08716	4.7
379.08084	5.9
391.07858	12.9
409.09171	5.5
412.26819	5.1
425.68018	2.8
617.19220	3.0
658.30237	4.2
712.77802	3.1
742.34351	6.7
796.34741	3.7
814.36218	26.6
832.37299	100.0
833.38068	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	832.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28218	0.4
60.08148	0.6
62.34238	0.4
62.58276	0.4
65.03963	0.4
67.05505	15.6
69.07072	3.6
69.76331	1.3
70.06554	0.4
71.04992	0.7
71.07372	5.8
79.05491	7.8
81.07058	12.4
83.08633	1.5
86.09709	29.1
91.05473	3.4
93.07040	7.0
93.07595	0.5
95.04961	1.1
95.08605	11.0
97.10188	0.6
98.23422	0.6
104.10745	13.0
105.07034	1.7
107.08611	3.6
109.10172	4.7
117.07037	0.7
119.08583	1.5
120.07270	0.4
121.10136	2.8
123.11700	0.7
131.08612	1.2
133.10115	1.1
135.11749	1.4
145.10159	1.0
146.98178	41.1
147.11670	0.5
149.13232	0.6
163.14877	0.7
164.99182	0.5
173.13225	0.6
184.07411	0.9
188.00912	0.5
240.09935	0.5
270.18988	0.5
294.71329	0.5
307.20615	0.4
333.19131	2.9
335.25787	11.0
357.24115	1.9
399.57126	0.5
406.02411	0.5
481.23279	36.8
482.23309	1.0
540.30615	100.0
541.30994	3.1
566.67389	0.6
625.87250	0.5
773.42340	0.7
832.49146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	28.8
59.69968	0.5
67.05520	3.1
68.05021	0.4
69.03429	0.9
69.07088	1.5
70.06596	2.9
71.34107	0.7
72.08150	4.6
79.05508	1.9
81.03430	1.1
81.07058	3.2
82.06600	0.9
84.08154	2.8
85.02934	1.3
85.06590	0.7
88.60328	0.5
91.05510	1.8
93.07071	1.8
94.06592	0.6
95.08633	1.5
96.08127	3.8
97.06527	0.8
98.09734	2.3
100.07645	1.2
105.07047	1.1
107.08623	1.7
108.08118	6.4
109.02899	1.8
109.10204	0.9
110.09692	3.0
114.09186	3.3
119.08624	0.7
121.02859	4.2
121.03603	0.4
121.10179	0.6
122.09701	1.5
123.10480	0.5
125.39635	0.6
126.09177	3.9
127.04005	0.6
128.10771	1.7
133.10124	0.5
134.09718	0.7
136.11244	0.5
137.09674	0.5
144.10205	6.2
145.02936	0.6
149.13303	0.6
159.11746	0.6
168.13866	0.9
186.14996	0.8
187.06023	0.7
189.01898	1.0
191.03508	0.7
203.03477	1.0
207.02890	1.2
208.17101	0.6
215.03398	0.6
215.59042	0.5
217.05011	0.8
219.02892	0.9
222.18626	0.5
226.17998	2.4
227.03493	0.5
234.18509	4.0
247.08340	0.8
250.18013	2.4
252.19577	13.1
252.22041	0.8
267.06812	0.7
268.19153	0.6
270.20633	19.2
271.20929	0.5
279.06601	1.4
281.08240	1.1
283.06128	1.8
284.06827	0.7
286.20197	0.6
288.21701	25.5
294.05212	4.2
294.60672	0.5
295.06039	10.9
296.06628	1.2
297.07669	2.1
307.06018	11.1
308.06833	1.9
309.07529	5.2
310.08539	0.6
313.07166	1.0
319.06213	1.5
320.06848	1.9
321.07584	6.4
322.08228	0.9
323.05527	0.6
325.07068	11.3
325.10623	0.9
327.08789	1.4
329.08148	0.8
333.07614	3.0
335.05884	0.6
335.09171	3.0
336.06485	1.0
337.07034	11.2
337.10678	0.7
339.08810	1.8
345.07672	2.4
347.09311	1.3
349.07089	5.2
351.08771	2.6
355.08353	1.2
361.07074	5.1
363.08585	5.3
365.06674	1.0
367.08200	3.0
373.07349	2.1
375.08807	1.6
379.08090	6.3
387.08627	1.1
391.08087	9.6
393.09860	0.8
403.07983	1.1
405.09760	0.7
409.09253	3.2
414.25064	0.9
415.08282	0.7
421.09146	1.5
427.10550	0.9
432.26242	1.4
433.09399	1.6
439.10583	1.1
445.09265	0.8
457.10059	0.9
475.10666	0.8
493.11475	1.1
511.12845	0.6
588.26569	0.9
606.27313	1.3
618.26385	0.7
624.27863	1.5
642.26501	0.9
648.29169	0.9
654.29358	0.8
660.28119	0.8
678.29584	1.6
690.29504	0.6
696.29419	0.6
726.31842	0.5
744.32538	4.4
774.33630	0.9
798.33563	1.1
816.34265	8.8
834.35406	100.0
835.35883	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	834.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	23.0
59.06955	0.3
67.05501	2.1
69.03436	0.9
69.07074	1.0
69.21292	0.6
69.21679	1.2
70.06602	1.6
72.08154	4.1
79.05475	1.9
81.03437	1.5
81.05793	0.4
81.07052	2.2
82.06596	1.0
84.08151	1.5
85.02888	2.4
88.07645	0.8
91.05505	1.4
93.07017	1.6
94.06597	0.5
95.04963	0.4
95.08633	1.1
96.08141	1.4
97.02918	1.2
98.09726	1.5
98.22767	0.6
99.04481	0.5
100.07635	0.7
105.07021	0.6
107.08628	1.0
108.08105	3.1
108.46894	0.4
109.02873	3.3
109.10165	0.4
110.09663	1.9
114.09187	0.9
119.05000	0.8
119.08604	0.8
119.39469	0.3
121.02866	2.9
121.10158	0.4
122.09695	1.5
126.09135	2.6
127.03884	1.9
128.10704	0.7
131.08597	0.3
133.10162	0.5
144.10182	5.2
145.02870	0.7
168.13870	1.0
169.04980	0.6
186.14948	0.7
187.04427	0.4
187.06097	1.0
189.01926	1.0
191.03352	0.6
195.14345	0.3
202.17882	0.3
203.03522	1.0
203.56976	0.4
207.02904	0.5
215.03450	0.6
219.02890	0.4
222.18640	0.5
226.18060	1.7
229.05008	0.5
232.16954	0.6
234.18498	3.5
243.03090	0.8
245.04347	0.4
247.08133	2.7
250.18045	2.0
252.19566	11.2
268.07416	0.5
268.19202	1.5
270.20621	14.6
279.06656	0.3
281.08133	0.7
283.06149	1.3
286.20355	0.8
288.21671	25.2
289.21948	0.5
294.05161	2.5
295.05994	10.0
296.06696	0.8
297.07425	1.6
307.06018	9.0
308.06808	1.7
309.07559	5.2
310.46439	0.3
313.07147	1.3
317.08176	0.4
319.06070	0.9
320.06927	1.1
321.07516	5.2
321.10840	0.4
322.08435	0.4
323.05655	0.7
323.09311	0.9
325.07043	7.7
327.08606	1.1
333.07452	3.3
334.08377	0.8
335.09161	2.5
336.09595	0.4
337.07007	8.3
337.10730	0.5
338.07611	0.4
339.08633	1.6
345.07724	1.5
347.09201	0.7
349.06970	4.6
349.10312	0.4
351.08624	2.5
355.08243	1.1
360.23987	0.4
361.07040	3.7
363.08618	3.8
367.08081	2.8
371.68985	0.4
373.06876	2.1
375.08868	1.1
377.01910	0.4
377.10178	0.6
379.08127	4.4
385.09616	0.5
387.08942	0.8
391.08105	8.1
393.09811	1.2
396.24081	0.4
403.08289	1.2
405.09937	0.4
409.09180	4.1
414.25150	0.8
415.08160	0.8
421.09277	1.0
427.10251	1.1
432.26083	1.9
433.09457	1.3
439.10229	0.8
441.10370	0.4
445.09399	0.8
451.10449	0.8
457.09476	1.2
463.10510	0.9
475.10104	1.0
481.11353	0.5
493.11469	0.8
511.12100	0.7
576.26141	0.5
588.25867	0.7
606.26831	0.7
624.28113	1.1
636.27527	0.6
642.27014	1.2
648.28241	1.1
660.28247	1.2
678.29089	1.5
696.29816	0.8
744.31934	3.0
774.34393	0.7
780.32330	0.5
798.33044	1.3
816.34174	6.7
834.35327	100.0
835.35718	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	834.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	9.2
65.49162	0.9
67.05521	3.3
68.05031	1.0
69.03440	2.0
69.07084	1.5
70.06595	6.6
71.13072	1.2
72.08151	1.6
79.05486	4.2
80.29497	1.2
81.03448	2.7
81.07069	4.9
82.06581	4.6
84.08150	8.2
85.02924	3.2
87.04438	0.9
91.05491	1.8
93.07078	3.6
95.05004	1.1
95.07395	1.8
95.08657	1.2
96.08128	4.8
97.02924	1.7
97.06548	5.2
105.07043	1.0
108.08146	5.3
109.02908	4.1
110.09686	29.7
111.10510	1.9
112.11253	15.9
114.09226	1.7
121.02890	1.9
123.24738	1.0
124.11287	1.3
127.03938	1.8
128.10722	85.8
129.11053	0.9
131.08644	1.2
133.98434	0.8
134.28746	0.9
141.16846	0.8
147.04518	1.3
169.05098	1.0
187.06052	1.6
189.09148	2.4
210.18794	1.1
219.10156	14.3
234.18567	2.4
247.08250	3.1
252.19576	12.5
252.21718	1.0
265.71921	1.0
270.20618	15.5
270.23178	1.1
283.06165	1.4
288.21713	14.9
288.24698	1.3
294.05124	1.3
295.06015	6.9
307.05957	5.6
308.06729	1.9
309.07663	2.3
321.07770	3.4
325.07248	5.6
333.07983	1.7
335.09393	1.7
337.07227	3.9
339.08524	1.0
349.07266	2.5
361.07294	3.6
363.08762	2.8
365.90451	1.1
367.08310	1.4
373.07028	1.8
379.08392	3.3
391.08389	2.5
409.09384	2.2
636.27924	1.7
658.19995	1.1
660.29303	1.1
678.29492	1.0
744.32825	2.1
816.34253	4.9
834.35382	100.0
835.35107	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	835.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78814	1.0
61.02887	1.3
69.03431	2.0
69.07063	1.6
69.24328	5.5
70.06596	5.2
71.69199	1.2
79.05470	1.5
81.03439	1.6
81.07061	1.5
85.02919	5.3
86.09720	1.9
91.05469	2.1
93.07031	2.5
93.96107	1.0
94.06580	2.7
96.08150	5.0
97.02909	2.9
99.04498	2.1
108.08140	5.6
109.02854	1.8
109.10219	1.3
110.09717	5.9
110.10381	1.0
112.95786	1.2
120.08087	5.5
122.06039	8.1
124.07565	1.1
127.03967	1.7
134.06090	1.3
136.07578	8.2
138.09142	8.3
144.04597	1.3
148.07602	4.1
150.09177	1.9
152.07162	1.5
165.09119	3.3
166.08659	16.7
172.03947	4.1
175.03670	39.7
176.07101	1.1
189.05203	6.5
190.77773	1.2
194.08153	2.9
198.09166	6.3
204.06590	8.8
205.04753	1.7
215.11810	5.6
225.10254	2.0
236.09485	2.4
237.10234	10.5
241.09666	1.5
241.13400	1.5
243.11304	22.3
244.11490	1.6
249.10219	9.7
250.11095	3.5
251.08197	1.7
251.11908	4.3
253.09695	2.5
255.11296	2.5
257.12759	2.4
261.10330	1.7
264.08948	6.7
265.09778	5.7
267.11322	2.5
277.09732	9.3
278.10611	4.0
279.08267	1.7
279.11206	8.4
281.09387	3.2
283.10876	1.7
285.12323	23.5
291.07761	1.2
291.11420	1.4
292.08499	1.9
293.09277	20.9
293.12885	6.4
295.11093	2.8
305.09152	8.3
307.10828	9.4
309.08884	1.9
309.12354	2.9
311.10333	3.1
313.11703	2.1
315.13629	2.3
317.14966	27.8
317.18341	2.1
323.10367	5.3
325.11942	5.2
327.13669	1.6
333.08868	5.0
337.11905	2.8
339.13513	6.4
351.09763	23.2
353.11255	1.4
355.12900	3.8
356.14108	1.6
357.14536	1.9
365.11420	2.4
366.12045	7.5
369.14664	1.5
371.12296	5.4
382.11478	2.1
382.15732	1.5
383.12451	10.7
385.14035	4.9
397.14102	3.9
398.14316	1.8
399.15475	1.8
400.17139	1.5
401.12482	1.8
410.15115	1.5
412.16791	2.4
428.15976	2.0
437.15784	1.5
438.14865	2.7
441.15182	3.2
446.17264	6.9
455.16809	22.1
456.15640	3.7
458.17270	2.4
460.18704	1.4
469.18433	1.7
476.18292	6.2
478.19656	3.7
486.16678	1.8
488.18503	2.6
490.19525	2.0
518.19525	6.3
519.19904	2.6
520.20691	2.1
536.20197	9.5
550.21832	8.0
551.22577	2.6
597.27441	1.3
609.23328	4.5
623.24164	2.3
637.22266	1.6
641.26233	20.3
644.22656	1.6
662.23743	2.2
680.24536	25.1
681.25311	10.9
712.26910	4.3
713.27863	60.0
714.28021	4.6
771.28070	2.5
781.57196	1.2
799.25079	1.5
803.30939	3.0
835.31305	100.0
836.31604	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	835.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74310	0.5
67.05459	0.7
69.03414	0.8
70.06577	1.4
79.05474	0.8
81.03402	1.4
81.07043	0.6
84.08134	0.9
85.02885	0.6
85.09846	0.5
93.07025	1.4
94.06558	1.8
95.08611	0.9
96.08106	2.2
97.02841	0.6
105.27670	0.6
107.08610	0.8
108.04454	0.7
108.08112	2.9
110.09656	3.6
116.04951	0.7
119.08566	0.5
120.04484	0.6
120.08090	3.1
122.06015	3.7
124.07588	3.5
134.06000	0.7
136.07590	4.5
138.09143	4.2
144.04454	3.3
145.04929	0.6
146.06026	1.1
148.07562	1.4
150.05475	1.5
150.09181	0.8
152.07085	1.2
160.03958	0.9
160.07553	0.9
162.05499	1.2
164.07149	0.6
165.09114	1.3
166.08659	8.2
170.09682	2.7
172.03932	16.4
172.07591	0.6
172.11214	1.0
174.05515	0.8
174.09146	0.7
184.11203	1.2
186.09166	0.6
187.12268	2.7
190.04997	3.8
194.08104	1.4
198.09142	16.7
199.08594	0.6
200.09282	1.4
200.10884	1.1
202.08475	0.6
204.06566	27.6
205.04683	0.6
210.09056	0.8
212.10783	3.0
213.10178	1.0
215.11784	14.1
225.10251	1.2
226.08659	5.7
227.11769	1.9
228.08759	0.8
229.09612	0.7
229.13326	0.6
231.11249	0.6
237.10320	0.7
239.11858	0.8
240.10202	2.3
241.09818	1.6
241.13370	2.4
242.10387	2.6
243.11285	85.0
244.11607	1.2
251.11775	1.0
255.11272	7.4
255.13710	0.8
256.12100	0.9
257.12833	5.6
265.09720	1.0
267.11343	1.4
269.09286	0.6
279.11243	0.8
283.10806	1.0
284.11600	1.1
285.12335	91.0
286.12619	1.8
297.12442	1.5
307.10712	0.6
315.13370	5.8
316.14142	0.7
317.14954	100.0
318.15244	2.3
325.11813	5.2
343.12897	1.0
357.14453	5.4
358.15295	0.9
359.15921	0.9
432.19299	1.1
458.01910	0.6
470.17307	0.9
476.18121	1.9
487.17038	1.2
488.18256	1.5
490.19757	3.1
502.20148	0.7
508.21021	1.1
511.32422	1.9
597.27148	2.9
613.26349	1.1
641.26154	10.9
652.24408	0.7
655.27625	8.0
673.28149	1.4
680.24255	1.6
697.27972	0.5
712.26489	1.4
778.31256	0.6
817.32166	1.1
835.31458	2.8
835.43469	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	835.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81454	1.1
67.05527	2.1
68.14809	1.0
69.03438	3.1
70.06580	5.5
70.57191	1.7
72.08192	1.2
79.05511	1.9
81.03416	2.3
81.07078	2.1
83.03677	1.0
85.02921	4.1
86.09711	0.9
88.59393	0.9
91.05483	1.4
92.91909	1.1
93.05790	1.3
93.07035	2.4
94.06604	2.7
95.07365	1.8
95.08613	1.7
96.08136	4.6
97.02905	1.8
99.04530	1.4
108.08133	5.0
109.02879	1.6
110.09682	6.3
119.08581	0.9
120.08103	7.5
122.06020	8.7
122.09698	1.1
124.07631	1.5
127.03898	2.0
134.06044	1.1
135.08044	1.2
136.07596	10.7
138.09146	11.2
139.89340	1.0
144.04497	1.4
145.10121	1.4
148.07593	4.1
150.05524	1.4
150.09201	3.0
152.07101	3.8
162.05534	1.1
165.09090	6.4
166.08653	17.5
172.03973	5.2
175.03670	35.3
175.05142	1.8
184.07434	1.8
189.05215	5.4
194.08276	2.0
198.09113	6.7
204.06580	9.8
205.04732	2.5
212.10838	1.5
215.11845	6.1
225.10286	2.7
226.08588	2.2
227.08263	1.1
235.08783	2.3
236.09471	3.1
237.10262	10.9
239.11760	1.4
243.06317	1.2
243.11292	32.4
249.10170	10.1
250.11116	3.1
251.08331	1.0
251.11707	4.9
253.09808	2.7
255.11267	2.4
257.12958	3.0
261.10309	1.2
263.08215	1.6
263.11880	1.4
264.09018	7.6
265.09683	8.3
266.10300	1.6
267.11456	4.2
275.08542	1.2
277.09756	9.6
278.10666	3.7
279.08072	1.7
279.11249	11.7
280.11984	1.4
281.09341	3.6
281.12930	1.3
283.10791	1.7
285.12341	34.8
285.15338	1.9
289.09760	1.6
291.07672	1.2
292.08588	2.0
293.09323	24.7
293.12943	4.7
294.09854	2.1
295.10834	2.8
297.12421	1.7
305.09125	8.1
307.10776	9.0
309.08807	2.9
309.12305	1.6
311.10495	1.9
311.13754	2.0
312.11075	1.2
313.11887	3.0
315.13290	1.4
317.14944	34.4
319.10837	1.7
321.08856	1.1
321.12405	1.4
322.13312	1.8
323.10144	6.3
324.11127	1.4
325.11978	4.4
326.12610	1.3
327.13745	1.8
333.08609	6.1
335.10611	1.2
337.11807	3.1
338.12540	1.7
339.13419	9.8
341.15442	1.2
343.13037	1.6
351.09781	26.3
351.14142	1.5
353.11484	2.6
353.15317	1.3
354.12244	1.6
355.13159	3.6
356.14005	1.8
357.14645	3.2
365.11478	2.0
366.12204	10.2
367.12891	2.2
368.13892	1.6
369.14575	1.4
370.15799	1.6
371.12329	6.5
383.12378	14.1
383.16708	1.7
384.13229	1.4
385.13995	5.1
396.13583	1.2
397.14020	3.5
398.14828	3.6
399.15509	1.9
400.16751	1.4
410.15182	1.5
418.17902	1.5
427.13828	1.5
428.16043	3.1
437.15753	1.3
438.14713	2.9
441.15674	2.2
442.16428	1.5
446.17145	8.3
455.16733	18.1
456.15546	5.9
457.17416	1.2
458.17117	4.1
469.18643	1.3
474.20612	1.3
476.18390	8.3
478.20093	3.2
486.16687	3.6
488.18073	2.6
490.19781	3.3
508.21130	1.3
518.12524	1.2
518.19275	7.3
519.20050	2.8
536.20282	12.5
550.21851	8.2
551.22473	3.7
609.23505	4.6
613.26843	1.6
638.23456	1.6
641.25989	24.1
642.26202	2.2
673.28180	2.5
680.24481	31.1
681.25098	11.0
682.25769	2.1
687.35217	1.4
712.27527	5.9
713.27856	72.3
714.28070	6.8
743.95691	1.3
771.28931	1.9
803.31006	3.7
835.31323	100.0
836.32239	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	836.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10459	0.8
67.05502	9.9
69.07075	7.5
69.28297	0.9
69.78245	2.7
71.07380	4.4
72.08129	1.5
79.05489	3.2
81.07065	10.2
83.08624	4.5
86.09185	1.9
86.09704	29.0
87.10018	1.0
91.05498	2.2
93.07027	2.9
95.08612	8.7
97.06537	1.1
98.17456	0.9
104.10744	22.1
104.86628	1.0
105.07027	2.0
107.08606	2.8
109.10160	4.8
109.21346	1.1
119.08591	1.4
121.10167	1.6
123.11781	1.1
125.00070	1.0
135.12814	0.8
146.98181	35.8
184.07341	2.5
299.03488	0.9
305.82025	0.9
309.86896	1.0
330.25418	0.9
335.20694	1.5
337.27338	11.7
393.88467	1.0
483.24887	29.7
484.25165	1.6
499.22006	1.7
542.32190	100.0
543.32178	1.8
558.29486	2.4
673.11932	1.2
836.52289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.4
69.07043	0.5
69.26508	0.9
69.26913	1.5
70.06602	2.6
72.08129	0.6
76.02215	0.5
79.05463	0.5
81.03414	0.4
81.07043	0.5
84.08106	0.4
85.02873	0.6
86.09686	1.8
111.04153	0.5
111.43540	0.4
120.08081	1.4
121.08390	0.5
127.03890	0.7
136.07568	0.8
148.07657	0.5
159.04195	1.1
166.08643	0.5
166.33430	0.5
173.05728	0.8
174.02841	0.9
175.03644	6.8
176.04480	0.4
179.04808	0.4
189.05228	97.4
190.05983	2.8
202.06033	1.0
207.11258	0.5
219.06210	1.1
230.07896	0.7
231.06328	1.5
232.07011	0.7
234.08673	1.6
241.09686	0.6
246.08730	1.1
260.10214	0.5
262.08121	0.5
265.09659	0.4
267.11395	0.5
285.12503	0.5
338.11484	0.6
351.30884	0.6
386.13406	2.0
427.17200	0.9
428.14551	1.4
429.15088	2.7
439.17386	2.1
443.16769	5.7
444.17514	3.8
445.18396	0.5
457.18350	24.4
458.18066	0.5
459.15881	0.6
471.19891	3.7
473.17935	0.9
488.20132	0.9
513.34204	0.5
579.50879	0.4
611.25159	0.7
625.22571	6.1
639.23431	0.7
640.25244	3.5
682.26648	0.6
758.47772	0.5
836.45795	1.2
837.32825	100.0
838.33093	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01899	2.9
65.03937	6.1
67.05159	5.4
67.05507	84.6
69.03416	11.4
69.07069	55.8
69.49741	12.6
71.04980	5.3
79.05492	77.4
81.03421	13.3
81.07056	100.0
83.04968	12.0
83.08632	20.8
85.06548	4.7
87.04460	10.7
91.04944	5.4
91.05479	88.7
93.07044	71.5
95.01324	6.7
95.04958	22.3
95.08610	47.9
97.02895	7.4
97.06533	25.4
97.10166	15.3
98.23409	5.4
99.08116	3.1
103.05428	4.3
105.04526	3.3
105.07030	98.4
107.04958	22.2
107.08596	47.4
109.02851	3.4
109.06516	9.3
109.10139	21.8
111.08089	7.2
117.07023	34.4
119.05034	3.6
119.08582	60.2
121.06483	10.2
121.10149	29.3
123.04426	3.0
123.08077	6.5
123.11739	4.0
125.09672	12.8
129.07027	13.8
131.08568	42.7
133.06506	5.0
133.10120	53.5
135.08093	5.9
135.11674	19.5
135.33475	3.0
137.09618	7.2
141.06979	2.9
143.08580	13.0
145.10121	36.7
147.08069	7.6
147.11703	31.9
149.09636	12.0
149.13254	12.2
151.11163	8.3
155.08519	5.4
157.10133	11.5
159.11707	24.6
161.13295	20.3
163.11165	5.4
163.14775	5.1
169.10085	6.2
171.11646	9.4
173.13258	12.1
175.11194	3.8
175.14772	6.3
177.12766	5.0
179.14328	9.1
183.11630	4.9
185.13254	5.3
187.14775	3.8
189.11191	5.9
197.13428	3.8
199.14801	4.7
209.13133	3.5
223.13301	10.1
227.12766	9.3
239.17987	4.4
241.19420	13.5
247.20502	3.5
249.14760	3.3
257.19089	6.2
259.20575	26.5
269.17526	11.4
273.18735	13.6
273.21552	2.5
275.20105	64.7
291.19522	78.8
291.22644	5.2
293.21146	6.1
315.22989	5.6
325.21701	3.2
333.24234	30.6
335.25775	8.2
342.24323	9.5
349.23740	39.6
365.23285	34.5
367.25238	4.1
479.17365	3.1
513.36591	3.1
525.35754	6.5
529.35236	20.3
543.36816	86.0
549.38873	3.9
605.41766	5.4
623.33630	4.8
623.43036	59.7
641.44165	19.8
785.47089	4.5
838.53204	11.7
864.22748	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31769	2.4
65.03946	3.3
67.05505	66.7
69.03422	6.8
69.07069	47.6
69.15279	9.0
69.15682	6.7
71.04987	5.8
79.05489	61.9
81.03423	13.0
81.07057	99.2
83.04967	8.6
83.08620	22.1
85.06569	3.4
87.04455	7.3
89.62835	2.4
91.05475	78.8
93.07039	54.9
95.01305	4.6
95.04965	23.4
95.08603	49.7
97.02882	6.5
97.06523	33.7
97.10163	13.1
105.04518	4.5
105.07029	89.0
107.04958	17.6
107.08585	37.5
109.06526	18.2
109.10169	18.7
111.08058	4.7
115.05479	3.2
116.57557	2.6
117.07019	27.0
117.98203	2.3
119.08583	54.7
121.06503	7.1
121.10142	25.4
123.04418	2.6
123.08064	10.3
123.11726	8.9
125.09595	12.8
128.06178	5.9
129.07005	9.2
130.07808	3.8
131.08560	32.2
133.06476	5.1
133.10129	55.9
135.08014	6.0
135.11694	11.9
137.09601	9.6
143.08528	9.4
145.09129	3.2
145.10143	33.0
147.08020	5.7
147.11665	34.2
149.09595	13.2
149.13248	11.2
155.08499	4.8
157.10114	9.9
159.08064	3.6
159.11714	24.2
161.09604	3.7
161.13248	15.3
163.11237	8.4
165.12738	3.0
169.10085	6.7
171.11708	8.9
173.13268	10.5
175.11189	7.3
175.14758	3.5
177.12770	7.0
179.14284	9.4
181.10063	3.8
183.11717	6.5
185.13264	5.8
187.11194	5.1
189.11215	7.0
195.11676	3.2
197.13364	5.1
199.14906	5.3
209.13229	3.0
212.14333	4.2
223.13298	10.8
227.12776	6.8
233.15277	2.8
239.18002	4.2
241.19516	6.4
247.20587	6.8
257.18976	7.4
259.20547	27.1
273.18585	7.8
275.20056	73.0
275.22949	5.1
291.19528	58.6
293.21118	5.8
315.23148	3.5
323.35135	3.1
333.24255	26.3
335.25671	2.7
342.24344	8.0
349.23703	57.4
365.23178	24.7
367.24896	22.7
379.29675	4.3
445.38663	2.9
498.02875	3.4
525.35498	5.0
543.36505	12.5
605.41467	4.7
623.43054	100.0
641.44092	87.9
649.57361	2.8
838.54388	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	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71455	2.1
67.05161	3.2
67.05503	50.0
69.03425	2.6
69.06711	2.9
69.07069	37.2
69.22157	10.3
71.04976	5.9
72.08144	2.1
77.03911	3.1
79.05032	4.3
79.05489	54.2
81.03421	13.5
81.07053	76.7
83.04971	9.3
83.08630	14.3
85.02937	2.2
85.06546	3.1
87.04446	12.5
89.31863	2.0
91.05478	63.9
93.07043	49.1
95.01331	10.3
95.04974	17.4
95.08602	36.0
97.02893	3.3
97.06525	36.5
97.10149	7.1
105.04488	2.4
105.07025	78.1
107.04948	22.6
107.08585	29.5
109.06499	9.1
109.10144	9.1
111.08067	4.9
117.07005	22.3
119.07745	3.0
119.08575	45.4
121.06475	6.2
121.10128	14.7
123.04432	2.6
123.08078	3.6
123.11729	2.3
125.09629	5.9
129.07013	4.7
131.08545	25.0
133.10130	42.4
135.08037	8.6
135.11705	12.8
137.09599	4.5
141.06975	2.6
142.07715	2.4
143.08592	6.5
145.06479	2.9
145.10100	23.4
145.89627	2.0
147.11667	17.7
149.09584	12.1
149.13217	5.8
151.11082	3.0
155.08492	3.3
157.10095	3.5
159.11656	20.2
161.13229	4.1
163.11156	9.0
169.10126	2.8
171.10315	2.2
171.11644	3.9
173.13272	4.6
179.14326	14.2
183.11662	5.9
187.11252	3.0
193.12277	2.1
197.13251	3.4
212.14249	2.8
219.17462	5.9
227.12804	12.8
234.02979	2.0
239.17950	4.3
247.20517	4.5
257.18927	13.4
266.03284	2.3
269.17447	7.4
273.18546	3.9
275.20062	100.0
276.20239	2.0
279.15872	4.4
291.19534	5.8
293.21078	5.6
301.82022	2.1
331.22552	3.4
333.24292	3.8
342.24112	5.5
349.23734	69.6
365.23038	3.4
367.24881	2.6
503.33429	4.4
519.33185	2.8
529.35376	17.7
543.36743	55.4
595.43488	3.5
605.41571	3.1
623.43030	74.7
624.42926	3.0
641.43970	10.4
687.40979	4.3
838.53180	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.7
65.03928	7.3
67.05506	100.0
69.03431	9.3
69.07071	40.5
70.00814	6.1
70.75803	1.8
71.04997	3.5
73.02914	2.8
77.03921	2.5
79.05494	87.3
80.07782	1.7
81.03407	13.1
81.07059	90.9
83.04984	10.5
83.08624	17.9
83.70208	1.6
85.02892	6.2
85.06544	5.1
91.05482	84.9
93.07045	88.4
95.04968	15.3
95.08015	3.7
95.08608	58.3
97.02889	8.1
97.06532	13.2
97.10164	9.2
98.23318	2.1
99.08096	4.1
103.05489	3.2
105.04576	4.4
105.07031	89.1
106.83048	1.9
107.04980	9.8
107.08595	48.3
109.06519	7.5
109.10136	26.8
111.08073	6.8
113.09660	2.5
115.05451	3.7
116.06229	2.2
117.07024	35.9
119.08583	65.2
121.06567	4.3
121.10139	34.3
123.08047	6.3
123.11706	7.2
125.09631	6.1
127.03912	3.0
128.06206	6.6
129.05499	1.9
129.06990	18.0
130.07838	2.1
131.08569	43.9
133.10132	45.6
135.08064	6.7
135.10922	2.2
135.11717	22.4
137.09668	4.3
139.11166	2.0
141.06995	7.5
142.07788	4.3
143.08563	20.6
145.06625	2.1
145.10129	37.8
147.08083	2.8
147.11691	40.0
149.09622	8.9
149.13268	14.1
151.11176	3.2
154.07823	2.4
155.08583	11.4
157.10117	20.0
159.11685	29.6
159.88992	1.7
161.09636	5.9
161.13263	15.3
163.11177	7.9
163.14848	1.9
167.08572	4.5
168.09357	2.6
169.10165	15.5
171.11681	20.4
173.04401	2.4
173.11925	3.3
173.13252	14.6
175.14793	8.0
177.12769	3.4
179.08662	2.4
179.14406	3.5
181.10139	8.4
183.11681	15.0
185.13225	12.3
187.11186	2.3
187.14828	6.0
189.16412	2.7
195.11679	8.1
195.13594	3.1
197.13254	11.1
199.14819	8.1
201.12776	2.0
201.16385	2.7
209.11520	2.1
209.13289	7.9
211.14781	5.3
213.16449	3.5
214.97510	2.1
217.16014	2.8
227.12784	5.4
231.17352	2.9
231.20984	3.6
237.16434	4.6
237.23653	1.7
239.14117	2.1
239.18001	4.9
241.19579	14.0
251.18057	2.8
255.15900	8.5
257.18976	6.0
259.20578	34.8
267.15811	4.3
269.17413	16.1
271.20499	2.0
273.18564	3.3
275.20126	17.8
277.21692	4.1
283.20535	2.6
291.19501	2.7
297.22260	2.2
315.23264	4.7
333.20618	3.3
333.24295	40.4
335.26132	2.5
344.25742	1.8
349.23740	14.7
367.24908	3.5
389.18481	2.1
417.31268	2.7
421.30753	2.3
435.32541	7.5
453.33728	5.5
489.35886	2.8
495.35196	2.6
509.35941	2.3
513.35706	22.1
515.37622	5.7
527.37292	37.4
531.37189	3.1
545.38049	5.9
551.40576	3.2
567.40143	3.5
607.43500	31.2
625.44720	32.6
689.42432	2.4
710.63348	1.9
715.44208	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12779	1.2
65.03932	3.2
67.05502	55.6
69.03435	2.4
69.07068	27.3
69.38445	4.2
71.05003	4.6
71.08614	1.5
71.57203	1.2
76.42605	1.3
79.05490	56.2
81.03426	3.6
81.07055	100.0
83.04981	5.3
83.08617	16.1
85.02935	1.4
85.06541	4.4
91.05476	60.1
93.07043	57.9
95.04974	14.4
95.08605	39.9
97.06538	9.6
97.10183	4.7
99.08075	2.9
103.05492	2.1
105.04520	3.8
105.07029	63.5
107.04967	8.2
107.08591	36.4
109.06514	19.6
109.10152	17.4
110.02428	1.6
111.08088	5.0
115.05459	2.5
117.07027	19.6
119.08580	54.8
120.08936	1.4
121.06509	4.8
121.10146	28.2
123.08096	7.8
123.11723	9.0
125.09618	2.3
127.07558	1.6
128.06242	2.1
129.06993	10.7
131.08562	28.3
131.09459	2.2
133.06558	2.3
133.10127	41.9
135.08087	5.3
135.11678	16.9
137.09645	5.7
139.11238	1.9
141.07054	2.0
143.08559	8.0
145.10112	24.1
147.08064	2.9
147.11685	39.6
147.12849	2.0
149.09610	10.1
149.13240	12.3
151.11275	1.9
155.08588	2.6
157.10149	10.2
159.11694	21.5
161.09636	2.5
161.13268	18.5
163.11174	7.8
163.14868	3.0
165.12706	6.3
169.10152	3.8
171.11684	10.5
173.13210	11.2
175.11185	2.6
175.14833	8.7
177.12767	4.5
179.14293	1.5
181.10196	1.5
183.11655	3.9
185.13257	9.3
187.14851	4.7
189.12698	1.8
189.16402	1.5
191.14384	2.6
197.13307	3.9
199.14853	4.5
213.16460	1.4
229.19600	3.5
231.21088	3.4
239.17972	1.9
241.19563	16.8
247.20665	1.6
257.18979	6.6
259.20587	47.1
267.16006	1.8
273.18576	1.5
275.20065	38.9
277.21448	3.3
291.19720	2.7
293.21063	15.5
315.23224	5.3
315.37711	1.2
333.24228	72.8
335.25809	2.6
349.23743	13.5
351.25357	5.7
365.23175	2.3
367.24765	45.2
439.03162	1.6
515.38501	2.0
525.20898	1.5
533.39911	4.8
545.37268	2.0
551.40686	5.9
607.43579	18.1
625.44525	44.9
643.45660	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.0
61.02936	2.5
65.03928	6.6
67.05505	99.1
69.03426	9.4
69.07068	40.9
69.17864	7.2
69.18275	3.4
71.04993	7.6
73.02893	2.2
77.03921	3.8
79.05492	89.0
81.03413	12.3
81.07055	100.0
82.90166	1.8
83.04973	11.4
83.08617	22.3
85.02898	6.8
85.06552	5.5
87.04456	4.8
91.05479	91.2
93.07045	99.3
95.04968	17.5
95.08601	55.3
95.09215	2.9
97.02897	5.3
97.06518	15.0
97.10141	9.8
98.22704	3.9
99.04478	2.6
99.08053	2.9
103.05468	2.2
105.04518	6.2
105.07027	83.5
107.04950	11.6
107.08591	54.7
109.02889	2.3
109.06517	11.8
109.10159	24.4
111.08091	6.5
113.05989	2.4
115.05478	4.5
116.06229	2.3
117.07021	32.2
119.08582	66.4
121.06508	7.2
121.10146	32.4
123.08070	6.1
123.11728	7.6
125.09639	4.0
127.03941	4.0
128.06165	3.4
129.05595	2.0
129.06998	20.0
131.08563	42.1
133.06453	2.5
133.10132	53.6
135.08057	5.8
135.11694	28.3
137.09641	5.3
138.61513	2.1
139.11179	3.4
141.07021	7.3
142.07785	4.8
143.08569	22.3
145.06499	2.1
145.10123	37.0
147.08029	2.8
147.11684	40.8
149.09612	10.5
149.13231	14.9
151.11237	2.7
155.08528	9.0
157.06526	2.0
157.10123	20.0
159.08035	2.1
159.11685	30.4
161.09616	3.6
161.13271	22.9
163.11203	7.4
163.14827	4.3
165.12727	3.1
167.08589	5.8
169.10126	11.4
171.11696	21.9
173.04498	3.1
173.09644	2.1
173.13237	15.9
175.11238	3.3
175.14880	8.4
177.12791	4.1
179.14345	2.7
181.10170	5.5
181.12045	2.4
183.11670	9.2
185.09712	2.3
185.13289	13.2
187.14804	7.0
189.12726	2.7
191.10648	2.3
193.10146	2.5
195.11690	7.2
195.13821	6.4
197.13312	6.1
199.11285	2.1
199.14864	6.2
201.16414	2.2
207.11720	3.2
209.13313	4.4
211.14854	4.6
213.16335	3.1
217.15945	2.7
221.13368	3.2
223.14879	4.0
227.18103	3.1
231.21066	4.2
239.18037	5.1
241.19525	17.6
242.19987	2.0
253.19753	1.9
255.15849	10.8
257.18991	5.1
259.20560	45.4
261.22226	3.3
267.15857	5.4
269.17438	30.1
271.20441	1.7
273.18576	4.2
275.20041	22.6
276.20526	2.2
277.21423	3.5
291.19391	2.6
293.21356	2.2
315.23187	6.8
331.22617	3.0
333.24271	52.7
335.25745	7.8
349.23669	17.4
365.23471	3.6
367.25171	9.8
408.14606	1.9
417.31085	4.1
421.30966	2.4
435.32660	8.5
453.33557	5.6
471.34348	3.6
489.35483	4.9
509.36127	5.0
513.35657	17.9
515.37537	5.7
517.38940	3.3
527.37341	70.1
531.37195	3.5
545.38293	7.9
589.42181	2.8
597.45135	3.0
607.43427	20.5
625.44617	27.3
635.39496	2.3
671.40948	3.5
689.41742	2.7
769.48419	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.2
65.03947	7.1
67.05503	92.4
69.03426	7.9
69.07066	35.2
69.19063	9.5
71.04982	8.5
79.05494	88.7
81.03409	8.4
81.07055	97.3
83.04974	12.7
83.08624	28.8
85.02911	9.7
85.06522	5.2
91.05476	82.9
93.07046	93.6
95.04964	33.6
95.08019	3.4
95.08607	59.9
96.09019	1.9
97.02901	3.7
97.06532	15.8
97.10159	16.0
99.04464	3.1
99.08094	7.5
103.05452	3.9
105.04521	5.7
105.07029	100.0
107.04948	7.9
107.08589	62.4
109.06507	12.7
109.10152	31.5
111.04450	4.6
111.08074	7.6
115.05440	5.2
117.07027	41.8
119.08576	74.5
121.06490	4.8
121.10141	38.3
123.08059	9.1
123.11709	8.6
123.21866	1.8
125.09615	10.9
127.03929	3.8
127.07600	1.8
128.06142	4.7
129.05470	2.9
129.07014	27.9
130.07797	3.4
131.08562	54.5
133.09174	3.3
133.10129	55.4
135.08029	8.1
135.11690	24.9
137.09608	4.5
139.11182	3.6
141.06967	5.8
142.07767	4.5
143.08559	30.5
144.09370	2.4
145.06497	2.5
145.10121	48.6
147.08078	3.8
147.10564	3.6
147.11679	42.7
149.09605	15.0
149.13210	13.3
151.11180	4.0
153.07004	2.7
154.07787	2.3
155.08565	12.9
157.10135	28.5
159.08060	4.7
159.11676	36.9
161.09602	3.3
161.13264	25.1
163.11177	14.9
163.14789	3.2
165.12793	2.7
166.07875	2.1
167.08591	4.8
169.10121	14.8
171.11676	21.4
173.09726	2.8
173.13261	18.3
175.11182	3.3
175.14868	9.2
177.12767	5.3
179.08549	4.0
179.14233	2.0
181.10066	10.1
183.11696	15.4
185.13239	18.7
187.11232	3.8
187.14830	8.6
189.11185	5.1
189.12787	3.5
189.56564	2.2
191.14299	2.6
193.10098	3.9
195.11650	9.0
195.13730	3.6
197.13255	15.3
199.14725	10.6
201.12813	3.0
201.16345	3.3
207.11674	5.2
209.13249	9.3
211.14841	6.1
213.14664	2.2
213.16492	4.8
215.14264	2.6
215.17903	2.2
221.13213	4.5
223.13245	7.6
223.15076	4.4
225.16255	4.2
227.12724	4.6
227.18005	4.4
229.14290	2.8
229.19562	3.4
231.21001	4.5
235.14839	2.2
237.16362	6.6
239.17964	6.1
241.15930	3.1
241.19533	19.3
255.15897	5.3
257.19080	12.2
259.20578	41.6
261.22208	3.0
267.15845	2.7
267.20908	2.1
269.17239	9.6
271.20505	3.0
273.18445	5.0
275.20053	35.2
291.19528	2.3
293.21002	10.5
297.22153	2.8
299.19910	3.3
299.23560	2.7
309.22021	2.1
311.23694	2.1
315.23059	5.7
327.23169	2.5
333.24234	48.7
335.25766	5.3
344.25775	5.7
347.22391	2.9
349.23770	24.1
351.25626	2.3
367.24896	16.8
383.29553	2.1
403.24188	2.3
407.29568	3.0
421.30737	2.5
435.32117	2.3
445.30896	2.9
447.32220	2.8
461.33945	2.3
473.33560	2.3
495.34622	2.2
499.34149	3.9
513.35742	20.8
515.38544	8.0
527.37256	20.5
533.39459	6.8
551.40649	2.8
553.38776	4.5
567.40070	7.1
607.43567	48.0
625.44519	63.3
733.46167	3.0
769.48022	5.2
840.55389	4.4
843.63385	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	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	1.8
61.02922	2.5
63.04458	0.8
65.03946	3.8
67.05505	100.0
69.03422	3.6
69.07068	23.1
69.09475	6.1
71.04992	4.0
73.02923	1.3
77.03938	1.1
78.54232	0.7
79.05495	46.2
81.03439	3.9
81.07057	75.9
83.04993	4.4
83.08622	16.9
85.02905	3.2
85.06541	4.2
91.03931	0.8
91.05478	34.3
93.07044	48.6
95.04963	8.8
95.08606	46.9
97.02886	2.5
97.06535	7.5
97.10162	8.0
99.08091	1.3
105.04533	2.2
105.07028	27.4
107.04980	3.0
107.08595	37.6
109.06521	4.4
109.10155	50.8
111.08086	4.1
113.09634	0.9
117.07024	10.6
119.08578	22.5
121.06583	0.9
121.10141	24.4
123.08085	2.8
123.11687	6.8
125.09626	5.1
127.03878	0.9
129.05527	0.9
129.07013	2.5
131.08565	16.0
133.10130	16.6
135.08078	2.4
135.11694	15.0
137.09631	3.4
137.13283	0.8
138.54926	0.8
139.11140	1.6
143.08533	3.8
145.06488	0.9
145.10132	12.0
147.11685	12.2
149.09633	5.6
149.13258	10.2
151.11165	1.4
155.08684	0.9
155.10663	2.4
157.10161	3.0
159.11681	12.4
161.09686	0.8
161.13284	5.6
163.11238	2.6
163.14825	3.0
165.12775	1.4
169.10201	1.1
171.11710	2.8
173.11751	11.2
173.13290	6.4
175.11182	0.9
175.14818	2.1
177.12836	1.4
177.16443	1.2
179.14313	2.1
181.12140	0.9
184.07439	0.9
185.13251	2.5
187.14844	2.6
189.11194	2.7
195.13834	2.5
197.13361	1.0
199.14720	1.4
201.16409	1.3
213.16563	1.1
227.12756	9.7
229.14342	53.9
239.17987	2.1
241.19408	1.3
243.21147	4.8
247.20479	1.7
257.19046	4.5
259.20627	2.6
261.22122	16.4
269.17471	17.2
275.20065	25.2
277.21631	0.9
293.21127	4.5
317.24747	2.8
333.24173	1.7
335.25797	96.9
336.26059	1.8
349.23743	21.1
350.23386	0.8
367.24835	17.3
397.31378	1.1
437.34167	1.8
471.34274	2.2
489.35733	37.2
490.36169	1.2
505.35434	1.1
507.37036	4.7
527.36731	1.5
529.38867	42.7
530.39264	1.2
535.41638	0.9
547.40149	1.6
553.42609	1.1
569.42047	2.2
609.45178	35.9
610.45343	1.9
627.46106	23.8
645.46716	1.3
673.43402	1.1
842.47235	6.0
843.48438	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.6
65.03948	1.0
65.41591	0.4
66.86907	0.4
67.05504	10.9
68.05788	0.5
69.03432	3.5
69.07069	5.4
70.06591	0.7
71.05004	0.7
73.02908	2.8
79.05487	7.5
79.05939	0.4
80.05017	0.7
80.40715	0.5
81.03411	2.9
81.07050	8.5
83.04996	1.2
83.08636	1.5
84.08133	0.6
85.02908	3.3
86.06065	0.8
87.04475	2.6
91.03944	2.0
91.05479	5.4
93.05829	0.4
93.07050	6.8
93.87143	0.4
94.06597	0.4
95.04988	2.4
95.08598	4.9
96.04466	0.4
97.02905	3.5
97.06558	1.4
97.10194	1.5
98.06072	0.6
99.04475	0.6
99.77169	0.4
101.02401	1.0
105.07025	5.4
107.04987	0.9
107.08585	3.9
107.09129	0.4
108.08171	0.5
109.02910	0.6
109.06557	0.9
109.10175	2.6
111.08081	0.9
112.07623	2.3
116.98121	0.4
117.07053	1.6
118.78163	0.4
119.08574	3.1
121.10157	2.8
124.74541	0.4
125.09686	0.7
127.03993	1.2
129.07043	0.4
131.08549	2.2
133.10095	3.1
135.08049	0.5
135.11679	1.9
140.07065	1.1
142.08554	0.4
145.10098	2.5
147.11716	1.5
148.07570	1.0
149.09607	0.8
149.13301	0.9
158.08110	1.9
159.11673	0.9
161.13277	0.9
163.11238	1.2
169.10103	0.4
171.11679	0.5
173.11823	0.6
179.14340	0.8
185.04276	0.7
187.11273	0.4
190.12387	0.7
208.13393	0.7
227.12901	0.7
243.08467	3.4
245.13855	0.6
261.22424	0.6
267.16037	1.4
275.17322	0.5
275.20224	1.4
276.16119	0.6
301.09125	0.7
312.18201	0.6
313.27884	0.4
315.19281	3.9
331.18942	0.7
333.20517	1.4
335.26123	1.4
343.55093	0.4
363.25189	0.4
371.21844	1.0
377.12814	0.4
386.21368	0.7
439.19839	0.7
489.35675	4.0
527.37585	0.9
533.27197	7.8
535.28729	0.9
545.38696	0.7
549.26831	0.7
551.28210	4.3
595.11304	0.5
598.42944	0.5
628.42499	0.4
646.43115	10.2
647.43317	0.7
808.48596	0.7
843.48578	100.0
844.48608	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30895	0.2
60.59129	0.3
61.02926	2.6
65.03949	0.3
67.05507	3.2
69.03436	1.7
69.07075	1.9
71.04986	0.4
73.02922	1.7
79.05491	3.2
81.03425	1.3
81.07058	3.5
83.05008	0.5
83.08635	0.8
85.02900	2.3
91.03967	1.4
91.05481	2.7
93.07054	3.0
95.04995	1.0
95.08610	1.9
96.98602	0.3
97.02886	2.8
97.06511	0.4
98.22706	0.7
99.04477	0.8
101.02410	1.2
105.04516	0.4
105.07024	2.7
107.04981	0.5
107.08592	1.7
109.06535	0.5
109.10172	1.0
117.07036	1.1
119.08588	2.0
121.10162	0.8
123.08121	0.5
123.11662	0.3
127.03957	0.8
129.07019	0.3
131.08546	1.3
133.10127	1.7
135.11729	0.8
143.08583	0.3
145.10168	1.0
147.11697	0.7
149.09688	0.6
149.13263	0.3
159.11745	0.9
163.11194	0.4
179.14362	0.3
185.04277	0.6
203.05272	0.6
223.13287	0.3
243.08426	2.8
269.17584	0.4
275.20071	0.5
291.19656	0.5
301.09039	0.5
303.32657	0.3
310.41208	0.3
313.09027	0.4
315.10538	0.3
315.19217	1.9
317.20984	0.3
327.10535	0.3
331.19025	0.8
333.20609	0.5
335.25443	0.3
347.18289	0.3
371.22232	0.7
439.19592	0.6
453.20831	0.6
533.27191	4.0
535.28888	1.8
549.26807	2.8
551.28479	3.1
646.42938	0.9
817.97601	0.3
843.48560	100.0
844.48981	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	844.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35886	0.4
63.53879	0.4
67.05503	3.9
69.07082	1.2
69.37447	0.9
69.37850	1.5
70.06594	7.6
71.05003	0.9
71.07368	0.9
72.08158	1.3
79.05500	4.4
81.07058	5.8
82.06577	2.3
83.08612	0.7
84.08147	13.2
85.06532	0.6
85.08947	0.7
86.09715	1.2
88.07635	4.0
91.05479	3.0
93.07043	3.5
95.04980	0.7
95.08611	3.2
96.08132	5.4
97.06539	0.7
97.08910	0.8
98.09700	3.1
98.23451	0.7
102.80657	0.4
105.07047	1.8
107.08591	2.5
108.08147	1.2
109.10143	1.1
109.35675	0.5
110.09681	12.1
111.10445	3.7
112.11254	5.0
119.04971	0.7
119.08630	1.2
121.02859	3.0
121.10166	0.8
122.09698	1.7
124.11234	5.5
124.39023	0.4
126.12813	0.7
128.10724	7.4
131.08543	0.8
132.80093	0.4
133.10170	0.8
135.08040	0.5
136.11227	0.9
138.12845	0.8
145.02827	0.9
145.10144	0.7
147.11757	0.5
150.12769	0.5
152.14398	1.5
159.11810	0.6
178.15970	0.5
180.17479	0.7
189.01918	0.9
203.03427	1.0
206.19067	0.6
207.02939	1.0
208.20605	0.8
220.20557	0.9
231.02977	0.6
234.22313	0.5
236.23854	1.4
243.03000	0.5
245.04536	0.5
248.20187	0.6
252.19695	1.0
262.21671	14.1
278.21130	2.4
280.22720	48.5
281.08130	0.7
283.06146	1.0
294.05264	2.5
295.06012	7.9
296.06531	0.5
296.22061	2.8
297.07751	1.5
298.08459	0.5
298.23770	23.7
307.06039	8.2
307.09152	0.4
308.06915	1.8
309.07620	4.4
313.06946	0.6
319.06046	0.8
320.06863	1.3
320.90643	0.5
321.07553	5.3
321.10864	0.5
322.08420	0.5
322.23950	0.6
323.09467	0.5
325.07059	6.3
327.08862	0.5
333.07452	2.7
334.08124	0.6
335.08936	2.8
337.07043	6.4
339.08746	1.6
345.07739	1.8
347.09302	0.8
349.07068	4.1
349.10437	0.4
351.08533	2.1
355.08075	0.8
361.07089	4.4
363.08618	2.9
364.25140	0.6
367.08224	1.6
373.07095	2.2
375.08780	1.3
379.08109	3.6
381.09848	0.6
387.08859	1.2
391.08105	5.7
393.09671	1.2
401.10703	0.5
403.07986	0.7
405.10104	0.6
406.25790	0.5
409.09216	2.4
421.09296	1.0
424.27283	1.0
427.10165	0.8
433.09378	1.0
442.28168	1.5
445.09027	1.1
457.09048	0.6
493.11551	0.6
616.29297	2.4
634.30243	0.8
640.29565	0.6
646.30469	1.6
670.30145	2.2
688.31604	1.5
706.31830	0.5
718.31976	0.8
736.34100	0.7
754.34015	3.9
784.36096	1.2
790.34399	0.8
808.35596	2.1
826.36383	10.2
844.37439	100.0
845.38324	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	844.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.4
69.07072	1.0
70.06597	4.5
71.07379	1.7
72.08165	3.5
79.05502	6.2
81.07056	5.8
82.06578	1.6
84.08141	22.8
88.07635	1.1
91.05497	4.7
93.07036	4.2
94.06585	0.8
95.08611	3.4
96.08138	5.6
96.67721	0.8
97.08927	2.3
98.09724	2.0
105.07040	2.0
107.08622	3.6
108.08130	0.9
109.10159	1.5
110.09676	12.4
111.10457	5.2
112.11239	5.9
119.08570	1.7
121.02888	4.0
122.09725	1.6
123.23821	0.9
124.11263	3.9
128.10732	9.2
131.08595	1.5
138.12823	1.0
152.14384	1.1
189.01929	1.0
191.03305	1.0
203.03510	1.0
207.02937	1.6
220.20627	1.0
236.24156	0.9
243.98764	1.0
247.06020	0.8
262.21683	18.1
266.95413	0.9
278.21225	1.4
280.22699	59.2
283.06067	1.8
294.05295	3.3
295.05914	9.1
295.08496	0.9
296.22339	1.1
297.07648	2.6
298.23755	24.2
298.26956	1.3
302.39539	0.9
307.06021	9.8
308.06598	1.9
309.07703	3.7
312.59561	0.8
319.06131	2.1
320.06683	1.9
321.07532	6.0
322.23883	1.6
325.07031	8.5
333.07599	2.8
334.08102	1.0
335.09238	2.7
336.06488	1.0
337.07004	7.5
339.08691	2.2
345.07733	1.2
347.09116	1.3
349.07089	4.7
351.08701	1.8
361.07111	4.3
363.08759	2.6
367.08240	3.4
373.07153	2.4
379.08261	3.9
391.08139	5.9
393.10065	1.1
409.09204	3.1
411.36462	1.0
424.27182	1.5
433.09390	2.2
442.28162	1.5
475.11069	1.0
616.29016	2.3
634.30597	0.9
646.29913	2.3
670.30438	2.4
688.30908	2.1
754.33936	4.8
766.33905	1.2
808.36017	1.9
826.36237	10.5
844.37372	100.0
845.37756	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	844.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18917	0.5
67.05497	4.5
69.07070	1.1
70.06589	4.0
71.07381	2.4
72.08163	2.1
79.05489	5.8
80.76453	0.5
81.07056	6.0
82.06589	1.7
84.08138	24.3
85.06533	0.8
91.05459	3.8
93.07053	4.4
95.08606	4.3
96.08121	4.8
97.06554	0.8
97.08932	1.9
98.09710	1.7
105.07049	1.9
107.08599	3.1
108.08147	1.6
109.10149	1.2
110.09671	10.6
111.10458	4.7
112.11236	4.7
114.09222	1.2
119.04939	0.9
119.08634	0.7
121.02849	5.3
121.03529	0.5
121.10156	1.2
122.09703	0.9
124.11227	5.1
124.83678	0.6
128.10703	10.2
128.11584	0.6
131.08601	1.7
133.10129	1.3
138.12840	1.1
145.10201	0.6
147.11746	0.6
150.50450	0.5
152.14377	1.6
153.15123	0.7
191.03375	0.8
203.03394	1.4
206.19136	0.8
207.02937	1.1
219.02876	0.6
220.20688	0.8
221.04358	0.5
236.23853	1.6
243.02885	0.7
262.21649	17.4
269.04520	0.5
272.04871	0.5
278.21225	1.0
280.22690	59.1
281.08057	0.7
281.23126	1.1
283.06064	1.0
293.08121	0.8
294.05252	3.8
295.05969	9.8
296.22372	1.6
297.07645	1.6
298.23743	26.1
299.23981	0.6
307.06006	7.7
308.06842	1.8
309.07529	4.6
319.06033	1.3
320.06796	1.0
321.07513	7.1
322.23834	1.0
323.09302	1.0
325.07007	7.0
325.10077	0.6
327.08817	1.1
333.07477	3.2
334.08279	0.9
335.05655	0.7
335.08920	2.6
337.06964	6.8
339.08688	2.5
345.07767	1.9
347.09116	1.0
349.07031	4.5
351.08746	2.3
361.07053	3.8
363.08585	2.7
367.08209	1.9
373.07294	2.3
375.08707	1.7
379.07956	3.4
391.07999	6.0
393.09668	1.1
403.08261	1.5
405.09564	0.8
409.09375	2.5
424.27243	1.7
427.10587	1.0
429.09842	0.6
433.09515	1.0
442.28262	1.9
463.10388	0.8
475.10217	1.2
616.29077	2.1
640.29254	0.8
646.30658	3.1
652.28809	0.8
658.29755	0.6
664.31451	0.6
670.30188	2.5
688.31329	1.6
706.32141	1.2
736.33441	0.7
754.34259	3.2
784.35065	0.8
790.34442	0.8
808.35571	1.7
814.97455	0.6
826.36322	8.5
844.37372	100.0
845.37939	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	845.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79000	0.3
61.02927	1.1
67.05516	0.7
69.03437	0.5
73.02911	0.7
79.05510	0.5
81.07047	0.9
85.02908	1.1
91.03956	0.4
91.05481	0.7
93.07047	1.0
95.08617	0.8
97.02903	0.4
105.45853	0.3
222.64192	0.4
241.08867	0.4
243.08337	0.5
349.19821	0.5
361.00320	0.5
450.49503	0.4
451.56375	0.4
478.12381	0.4
519.29248	0.6
548.30145	0.4
551.26239	1.0
777.21826	0.4
836.52423	0.4
845.48395	100.0
846.48743	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	845.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83585	0.5
83.20523	0.6
93.85674	0.6
132.27296	0.6
171.87004	0.6
327.31442	0.6
535.26874	0.7
845.48071	100.0
846.48743	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	845.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52052	1.2
69.14085	5.7
69.14493	2.8
73.68485	1.2
87.73970	1.3
107.64646	1.2
195.17468	1.5
689.21259	1.5
705.95056	1.6
845.48132	100.0
846.48358	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	845.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.3
67.05507	5.2
69.03432	2.7
69.07081	1.4
71.04980	0.6
73.02916	2.6
79.05492	3.1
81.03423	1.5
81.07059	4.5
83.05000	0.5
83.08615	0.7
84.01868	0.4
85.02901	4.4
91.03944	2.4
91.05483	2.3
93.07040	3.6
94.58511	0.4
95.05003	0.8
95.08600	4.1
97.02888	3.7
97.06559	1.0
97.10190	0.5
99.04472	0.5
101.02407	1.1
105.07053	1.5
107.08628	1.2
109.02887	0.7
109.10191	1.4
117.07022	0.4
119.08636	0.9
121.10175	1.3
121.55988	0.4
127.03967	1.1
129.07051	0.3
131.08633	0.8
133.10162	0.9
135.11658	0.9
137.05829	0.5
145.10117	0.4
159.11821	0.4
185.04259	0.4
229.14255	0.5
243.08315	2.2
274.09991	0.4
337.27292	0.5
349.19864	4.3
349.23441	0.5
358.64362	0.4
383.72256	0.4
453.21274	0.6
519.29120	4.1
520.29297	0.5
567.28040	2.1
629.54767	0.4
845.50092	100.0
846.50647	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	846.354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.0
69.07066	10.7
70.06593	1.2
71.04916	0.6
72.04518	1.2
72.08154	12.9
72.08530	1.2
79.05495	7.9
81.03437	1.3
81.07039	3.6
84.08134	1.3
85.60603	0.6
86.09719	2.2
91.05476	4.2
93.07043	3.5
95.04993	1.8
95.08620	1.8
96.08138	1.5
97.06527	7.7
98.09689	30.3
99.08116	1.9
105.07067	1.7
107.08691	0.7
114.09187	1.4
114.12933	0.6
115.07617	0.9
119.04942	1.0
119.08605	1.5
121.02848	5.2
121.06514	1.2
121.10131	0.7
124.11230	2.0
125.05975	3.1
128.10732	2.7
131.08563	1.7
133.10121	3.4
140.14294	0.7
142.12267	19.1
143.07042	7.2
145.10167	0.8
161.08211	1.3
172.44418	0.6
173.13269	1.2
189.01909	1.0
192.71927	0.7
201.12770	1.2
203.03366	1.1
207.02855	0.8
238.21761	0.6
264.19662	0.8
282.20639	7.9
283.05991	1.6
294.05298	3.6
295.06070	11.0
295.09552	1.0
297.07693	1.7
300.21707	13.1
307.06009	11.1
307.09183	0.4
308.06970	2.3
309.07544	4.9
313.07446	0.8
319.06058	1.4
320.07025	1.2
321.07455	5.4
322.08371	1.0
323.05615	1.0
323.09225	0.8
325.07037	10.7
327.08765	1.5
333.07596	3.5
335.09314	1.9
336.06299	0.9
337.07068	10.5
339.08859	1.8
345.07782	2.4
347.09314	1.0
349.07043	6.8
351.08774	2.7
355.08313	1.1
361.06924	5.3
363.08572	3.3
367.08316	3.1
373.07156	2.5
375.08823	1.2
379.08118	5.9
391.08130	9.6
393.09949	0.7
403.08408	1.0
409.08942	3.7
415.08340	1.1
421.08920	1.4
427.10236	0.8
433.09381	1.5
439.10150	1.2
455.26816	0.8
475.10757	0.9
690.29303	0.9
756.32422	3.3
770.99225	0.6
810.33228	2.9
828.34290	8.9
846.35327	100.0
847.36316	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	846.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22507	1.8
67.05517	6.7
69.07079	2.1
70.06596	5.6
72.08168	4.4
79.05518	1.9
80.53043	1.4
81.07064	7.1
84.08147	17.6
95.08644	4.9
96.08154	3.3
98.09708	2.0
100.02667	1.6
109.06581	1.5
110.09720	5.6
111.10463	3.0
112.11234	4.0
121.02891	3.1
124.11302	3.0
128.10767	6.9
156.20659	2.1
187.59326	1.8
208.20624	1.7
236.23750	2.0
249.18874	1.7
264.23199	22.6
280.22797	3.3
281.23309	2.0
282.24265	54.2
283.05783	1.7
294.05359	3.5
295.05981	9.3
297.07831	2.3
300.25293	23.2
307.06049	10.8
309.07751	4.2
319.06253	1.7
321.07822	3.4
324.25272	2.2
325.07257	7.0
333.07742	3.3
337.07150	4.6
349.06931	3.6
351.08249	1.8
361.07336	4.2
363.08826	3.3
373.07184	2.0
379.08267	5.2
391.08289	6.0
426.28882	2.4
618.31085	4.6
648.31586	3.8
672.31818	3.3
690.33008	2.5
756.35840	6.3
828.37183	8.4
846.38959	100.0
847.39490	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	846.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57132	0.5
67.05498	3.8
69.07064	2.3
69.78819	0.4
70.06586	2.3
70.61337	0.9
71.07397	1.0
72.08152	3.2
77.03926	0.4
79.05501	2.0
81.03416	0.6
81.07054	5.1
82.06591	0.8
83.08630	1.6
84.08139	19.1
85.06616	0.4
86.09730	0.6
91.05476	0.9
93.07038	0.9
95.08598	4.5
96.08118	3.4
97.08908	0.7
98.09693	2.4
105.07029	0.6
107.08614	0.5
108.08137	0.5
109.10152	2.7
110.09663	5.8
111.08034	0.6
111.10473	2.4
112.11263	3.2
121.02861	2.9
124.11241	2.2
126.54545	0.5
128.10721	6.6
128.11591	0.5
133.10123	0.5
135.11661	0.6
138.12798	0.4
143.18045	0.6
145.02843	0.6
189.01912	1.1
194.19096	1.1
195.02959	0.5
196.17160	0.4
203.03452	0.8
215.03653	0.6
217.04980	0.6
219.03018	0.9
221.04424	0.6
236.23785	0.8
262.21719	0.8
264.23209	19.8
280.22916	1.7
281.08200	0.7
281.22852	0.5
282.24265	49.2
283.06055	1.2
283.24591	1.1
293.07965	0.6
294.05289	2.4
295.05991	8.6
296.06842	1.0
297.07614	1.6
298.23871	1.1
300.25327	21.0
307.05981	7.7
307.09232	0.7
308.06747	1.0
309.07382	3.9
313.07092	1.2
319.06052	1.1
320.06915	1.6
321.07468	5.7
322.08209	0.7
323.05661	0.6
323.09216	0.9
324.25580	1.3
325.07022	6.1
327.08713	1.0
329.08368	0.6
333.07608	3.0
334.08221	0.6
335.09079	2.1
336.06094	0.5
337.06995	6.5
339.08774	2.3
345.07788	1.3
347.05533	0.7
349.06973	4.0
349.10474	0.5
351.08560	2.3
354.26630	0.6
361.07043	3.7
363.08514	3.4
367.08261	1.6
373.07004	2.2
375.08813	1.4
379.08072	3.7
381.10001	0.5
391.08063	4.5
393.09534	1.0
403.08429	1.2
409.09146	2.4
415.08414	0.7
421.09387	1.1
426.28729	1.7
433.09253	0.9
444.29678	1.6
445.09283	0.6
463.10385	0.8
493.11041	0.5
600.29663	0.7
606.30731	0.8
618.30389	2.1
630.31458	0.5
642.30121	0.9
648.31396	2.0
660.31555	0.8
672.31641	1.7
690.32611	2.0
708.34509	0.6
720.33252	0.8
756.35547	2.6
768.35822	0.6
786.36084	0.7
792.35486	0.7
810.36664	1.3
828.37891	7.5
846.38940	100.0
847.39270	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	847.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39261	0.4
67.05505	0.6
68.05021	0.3
69.07069	0.5
69.68631	0.8
69.69020	0.7
70.02958	0.5
70.06593	100.0
71.06918	0.7
72.08157	10.2
75.64026	0.4
82.06581	0.4
84.04501	3.8
84.08144	40.8
85.02904	0.4
85.06536	0.3
85.08495	0.4
86.09719	3.4
88.04007	1.0
90.32847	0.3
91.05485	1.0
93.07058	0.5
98.23459	0.4
100.07626	0.5
101.10779	1.4
102.05545	5.7
103.05470	2.0
111.09203	0.6
112.07593	0.7
115.08685	0.3
120.08107	50.4
121.08461	0.6
127.08739	0.9
127.28975	0.3
128.07204	0.3
129.10243	44.6
130.08641	1.2
130.10541	0.3
132.10240	0.3
136.07590	0.5
139.08667	1.1
143.11841	0.6
144.37096	0.3
147.11327	2.0
163.08656	0.4
167.08136	0.5
169.13367	28.1
171.11288	0.4
180.11285	0.4
181.09682	2.3
184.10817	3.5
186.09172	3.8
191.08176	0.5
197.12860	7.1
198.12456	1.4
199.10815	1.1
204.10283	0.6
208.10844	0.9
209.09224	8.7
215.10344	0.6
226.11864	14.3
227.10217	1.6
240.17152	1.0
241.15494	0.4
243.17065	2.1
244.12952	7.2
245.11301	0.5
246.13202	0.3
249.12352	9.2
260.19678	5.7
260.22275	0.3
262.13895	1.6
270.18182	1.2
277.11832	6.7
280.16681	0.5
310.15564	0.4
312.15530	10.3
313.16046	0.5
329.18155	0.3
335.16742	0.4
339.20166	0.6
343.19427	0.3
357.21500	0.9
374.17374	1.2
375.22375	4.9
375.26767	0.5
422.24158	0.4
440.25061	10.4
445.24826	0.6
473.23987	2.1
507.92789	0.4
553.33484	0.8
571.34540	25.9
572.35089	0.7
588.26471	2.6
682.37640	0.5
716.36053	1.5
829.44354	1.3
847.45551	52.6
848.46149	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	847.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.8
65.03938	0.2
67.05506	5.1
67.05867	0.3
67.35286	0.2
68.59964	0.2
69.03433	2.6
69.07066	2.0
71.01370	0.3
71.04990	0.5
71.22080	0.2
73.02920	3.0
79.05492	3.6
79.05883	0.3
81.03407	1.5
81.07060	3.9
81.07504	0.3
83.04974	0.3
83.08640	0.9
84.70849	0.2
85.02909	4.3
85.03407	0.3
91.03961	3.1
91.05487	1.6
93.07040	3.0
93.43747	0.2
95.04985	0.6
95.08606	2.8
96.30227	0.2
97.02898	3.2
97.03484	0.3
97.06519	0.3
97.10190	0.9
99.04483	0.9
101.02384	1.7
103.03953	0.3
105.04509	0.4
105.07031	1.4
107.08599	1.7
109.02909	0.8
109.10173	2.0
115.03947	0.3
117.07053	0.5
119.08532	1.0
121.10172	0.8
123.11749	0.3
125.09679	0.7
127.03927	1.2
131.08607	0.7
133.10162	0.7
135.11758	0.9
145.05009	0.3
145.10181	0.5
147.11736	0.7
149.13301	0.4
159.11737	0.3
161.13316	0.4
163.11276	0.3
172.56598	0.3
173.11804	0.4
185.04280	0.8
187.14857	0.2
218.12758	0.2
241.07077	0.3
243.08385	2.8
301.09045	0.4
335.25977	0.7
351.21426	1.9
373.11435	0.2
385.85046	0.2
407.24127	0.6
413.18008	0.6
519.29333	5.7
537.30389	0.4
553.29572	0.3
569.29303	5.2
847.51703	100.0
848.51898	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	848.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07435	0.3
67.05489	0.5
68.05013	0.5
69.03398	0.6
69.21961	0.8
69.22365	1.1
70.06577	0.6
82.06557	1.3
84.08138	4.6
86.06049	1.1
95.04958	0.4
96.08128	1.9
98.06031	0.7
98.09705	1.8
98.68620	0.4
100.07576	0.4
108.08115	11.3
126.09152	17.2
128.10716	0.4
144.10191	100.0
145.10504	0.8
219.10199	0.6
258.17450	0.3
259.22333	0.3
301.85233	0.4
305.93869	0.3
307.06006	0.6
337.07034	0.5
377.62405	0.3
455.53860	0.4
830.31525	0.5
848.33264	13.4
849.32562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07435	0.3
67.05489	0.5
68.05013	0.5
69.03398	0.6
69.21961	0.8
69.22365	1.1
70.06577	0.6
82.06557	1.3
84.08138	4.6
86.06049	1.1
95.04958	0.4
96.08128	1.9
98.06031	0.7
98.09705	1.8
98.68620	0.4
100.07576	0.4
108.08115	11.3
126.09152	17.2
128.10716	0.4
144.10191	100.0
145.10504	0.8
219.10199	0.6
258.17450	0.3
259.22333	0.3
301.85233	0.4
305.93869	0.3
307.06006	0.6
337.07034	0.5
377.62405	0.3
455.53860	0.4
830.31525	0.5
848.33264	13.4
849.32562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.37
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.8
69.07082	1.2
69.22314	0.7
69.22724	1.5
70.06600	1.6
72.08154	5.4
79.05496	1.4
81.03434	0.4
81.05854	0.3
81.07065	3.8
82.06592	1.0
83.08657	0.6
84.04454	0.4
84.08138	2.2
86.09732	0.5
88.07636	0.5
91.05508	1.4
93.07040	1.9
94.06590	0.4
95.04974	0.5
95.08597	1.8
96.08116	2.0
97.02919	0.5
97.06532	0.6
98.09695	3.0
100.07646	1.3
105.07048	1.0
107.08620	1.4
108.08121	3.5
109.08968	0.3
110.09683	1.8
112.11239	0.4
114.09210	0.5
116.86233	0.3
119.04977	0.6
121.02872	4.4
121.10138	0.7
122.09702	1.2
126.09135	2.8
128.10774	1.3
131.08572	0.6
133.10147	0.4
134.09593	0.4
135.11722	0.6
142.12300	0.8
144.10197	6.6
145.02901	0.7
159.04486	0.4
161.74635	0.3
182.15469	1.3
189.01903	1.0
191.03535	0.7
200.16510	0.6
201.01620	0.3
203.03395	0.6
207.02994	0.8
215.03462	0.5
217.04948	0.6
219.02904	1.0
222.18509	0.4
227.03433	0.4
231.03180	0.5
236.20078	0.7
240.19638	2.3
240.21927	0.4
245.04520	0.7
248.20076	4.0
254.21228	0.6
264.19556	2.1
266.21140	11.0
268.07294	0.4
279.06653	0.9
281.08209	0.6
282.20721	1.5
283.06207	1.6
284.22217	14.8
291.06815	0.5
292.07159	0.5
294.05219	2.2
295.06015	10.7
296.06638	0.8
297.07541	1.7
300.21783	0.7
302.23257	24.0
303.23660	0.4
307.05994	8.9
308.06769	2.1
309.07550	4.3
313.07214	1.4
319.06137	1.1
320.06918	1.4
321.07578	6.1
322.08401	0.5
323.05530	0.8
323.09158	0.9
325.07068	7.8
327.08768	1.5
329.08328	0.4
331.06079	0.5
333.07516	3.4
334.08636	0.6
335.05606	0.7
335.09012	2.5
336.06354	0.5
337.07074	9.0
339.08722	2.2
344.24710	0.7
345.07709	1.6
346.08167	0.5
347.09274	0.8
349.07034	5.0
349.10410	0.4
351.08557	1.9
355.08209	1.1
359.09244	0.4
361.06958	4.8
361.10803	0.5
363.08594	3.5
365.10480	0.5
367.08151	2.0
373.07007	2.1
375.08865	1.2
379.08084	5.8
381.09674	0.6
387.08786	0.8
391.08038	7.2
391.12415	0.5
393.09711	1.1
403.08249	1.0
405.09924	1.0
409.09113	3.8
415.08160	0.5
421.09473	1.2
427.10678	0.7
428.26752	0.7
429.09677	0.7
433.09457	1.2
439.10464	0.7
445.09451	0.6
446.27484	1.7
457.10052	0.6
463.10178	0.5
475.10391	0.9
481.10962	0.5
493.11542	0.9
511.12549	0.4
584.26935	0.5
590.27972	0.6
593.56995	0.4
630.27252	0.5
638.29047	1.1
644.27350	0.5
656.28540	0.8
662.30420	0.7
674.29657	0.5
692.30798	1.6
710.31995	0.5
715.34216	0.4
722.32703	0.6
758.33789	3.3
788.34369	0.6
812.34723	1.3
830.35779	7.3
848.36890	100.0
849.37225	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	848.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	4.5
61.02923	13.2
65.03939	2.8
67.05502	93.9
68.05817	0.8
69.03434	3.0
69.07062	6.7
71.04991	3.5
73.02907	4.3
79.05492	22.9
81.03414	2.0
81.07055	39.1
82.24582	0.6
83.04993	0.9
83.08607	6.3
85.02901	16.4
85.06558	2.1
91.03956	11.5
91.05478	12.6
93.07047	23.6
95.04961	2.5
95.08604	24.0
97.02896	8.5
97.06526	1.4
97.10184	2.5
98.23456	2.4
99.04453	1.2
99.08083	0.9
105.04514	1.3
105.07034	8.2
105.83842	0.6
107.08592	15.8
109.02895	0.8
109.06507	0.9
109.10155	74.3
110.10461	0.8
111.08085	3.6
115.03967	0.9
117.07020	2.9
119.08578	10.9
121.10139	12.0
123.08066	0.8
123.11705	3.6
125.09621	1.3
127.03947	3.5
131.08569	6.5
133.10141	6.0
135.11687	8.0
137.09602	3.4
137.13245	1.2
145.04944	4.8
145.10098	3.9
147.11670	4.2
149.13246	5.4
155.10658	6.3
159.11728	3.5
161.13263	3.4
163.05949	5.2
163.14832	2.5
173.11768	17.4
173.13245	3.0
175.14888	1.5
177.16403	1.3
187.14824	1.4
189.11145	1.0
199.58989	0.6
201.16403	0.9
223.27084	0.6
227.12735	5.7
229.14339	100.0
230.14870	1.2
243.21083	5.0
261.22131	22.1
270.67099	0.6
279.23029	0.9
317.24823	4.5
335.25784	79.3
336.25888	1.6
379.29709	1.5
397.31104	1.6
415.31992	1.2
451.18069	0.7
471.34677	1.3
489.35733	80.2
490.35855	2.7
507.36926	8.8
519.28882	1.8
540.54755	0.9
729.40765	0.9
747.42645	1.0
799.70038	0.8
830.50055	0.7
848.33191	1.0
848.48126	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	848.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.3
61.02927	13.4
65.03934	2.4
67.05505	90.0
69.03421	3.7
69.07068	6.7
71.04994	4.1
73.02930	4.4
79.05492	19.0
81.03419	2.0
81.07057	32.9
83.04983	1.0
83.08621	8.7
85.02904	16.8
85.06555	2.4
87.04463	0.8
91.03446	0.9
91.03957	8.8
91.05478	13.0
93.07047	21.7
95.04963	3.1
95.08604	26.0
97.02888	8.6
97.06529	1.8
97.10184	2.5
99.04456	0.9
99.08121	1.4
105.07029	8.5
107.08595	13.9
109.02840	0.9
109.06504	1.2
109.10155	75.9
111.08112	3.3
111.11626	0.5
113.06038	0.8
115.03934	1.1
117.07031	2.7
119.08589	11.3
121.10135	9.3
123.08122	0.8
123.11716	3.4
125.09614	1.6
127.03936	3.7
131.08572	5.7
133.10121	5.1
135.11711	7.0
137.09608	3.8
137.13242	1.2
138.75713	0.6
145.04959	4.7
145.10114	4.1
147.11690	3.7
149.13251	5.6
155.10649	5.3
159.11679	3.2
161.13258	3.1
163.06021	6.5
163.14819	2.6
173.11740	18.9
173.13246	4.2
175.14784	1.2
177.16353	1.6
184.07324	0.8
187.14806	1.7
189.11205	1.4
199.43906	0.7
201.16359	0.7
227.12794	7.4
229.14343	100.0
233.22726	0.6
243.21089	5.1
261.22128	17.8
317.24835	2.5
335.25800	67.1
336.26001	1.5
379.29965	1.3
397.30573	1.3
415.31882	1.8
471.34457	2.0
489.35745	54.7
490.35635	1.4
507.36865	8.7
519.29120	1.0
747.42352	1.5
848.48096	16.4
849.46948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.6686
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	5.1
67.05495	0.8
67.41960	0.2
69.07070	0.4
69.25894	0.5
69.26296	1.1
70.06609	0.2
71.07374	2.7
72.08136	0.3
75.60361	0.3
81.07050	0.9
86.09705	26.6
87.10023	0.3
92.27906	0.2
93.07075	0.3
95.08612	0.3
98.98477	1.8
104.10744	6.0
125.00002	17.4
146.98201	1.2
149.02336	0.6
184.07335	100.0
184.94994	0.3
185.07751	0.6
256.26584	0.3
313.82541	0.3
337.27362	0.4
353.30621	0.3
410.12051	0.3
483.24896	0.7
502.33011	1.5
520.33978	22.7
521.34143	0.7
542.31958	1.0
558.29462	0.4
764.25366	0.3
850.39282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.349
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25955	0.4
67.05476	1.5
68.05008	0.9
69.03407	1.0
69.07054	1.5
70.06586	1.1
70.36430	1.3
72.08139	2.1
75.68607	0.5
79.05478	1.5
81.05788	0.7
81.07050	2.0
82.06566	1.8
83.05032	0.5
84.07677	0.7
84.08139	8.0
86.06053	1.8
91.05469	1.1
93.07029	1.3
95.04963	1.7
95.08595	0.8
96.08118	6.0
98.06059	1.3
98.09695	4.3
100.07615	1.5
105.07016	0.8
107.05000	0.6
108.08118	25.1
110.09686	6.0
112.07636	0.6
119.08572	0.5
121.02866	2.3
121.08841	0.8
122.09659	1.9
124.07614	0.8
124.11232	1.1
126.09155	34.1
128.10709	2.2
128.47040	0.5
130.85417	0.5
133.10085	0.7
134.09660	0.6
135.08014	0.6
140.10689	0.5
140.66061	0.5
144.10197	100.0
145.10498	1.0
149.80237	0.6
203.03351	0.9
220.17169	0.6
221.04578	0.7
222.18556	0.7
232.16945	0.9
243.02878	0.8
248.16458	0.9
250.17984	7.2
266.17590	1.7
268.19061	9.6
283.06021	1.3
286.20139	16.6
294.05255	1.7
295.06003	7.1
295.13116	0.6
296.06696	0.6
297.07565	1.2
304.21179	19.8
306.38220	0.6
307.06003	6.9
308.06793	1.7
309.07465	3.5
319.06046	0.7
320.06894	0.7
321.07492	4.0
323.05670	0.7
323.09338	0.8
325.07068	5.9
333.07690	1.9
335.09250	1.4
337.07043	5.6
339.08807	1.0
345.07660	0.8
347.09045	0.8
349.07001	3.8
351.08746	2.2
355.08173	0.7
361.07095	3.6
363.08694	2.4
367.08255	2.2
373.07095	1.6
379.08115	3.1
387.08566	1.1
391.08017	5.6
403.07974	1.0
409.09109	2.3
421.09042	1.0
430.24197	1.1
433.09296	0.9
445.09280	0.9
448.25812	0.7
451.10233	0.8
465.12003	0.6
475.10242	0.7
493.10657	0.7
604.25519	1.0
622.26202	0.7
640.26581	1.1
658.26727	0.7
694.28662	0.8
712.30457	0.7
716.89410	0.6
760.31769	2.6
832.33240	3.6
850.34869	92.1
851.34930	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	850.349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
65.98054	0.4
67.05511	1.6
68.05019	0.5
69.03433	1.0
69.65049	1.5
70.06601	1.4
70.33884	0.5
72.08157	2.2
79.05511	2.0
81.03432	1.3
81.07052	2.1
82.06598	1.7
83.08652	0.6
84.08146	4.9
86.06083	1.0
88.07662	0.4
91.05499	0.9
93.07050	0.9
94.06593	1.6
95.04960	0.9
95.08645	0.9
96.08131	6.5
98.06069	0.6
98.09719	2.0
105.07008	0.6
107.07338	0.7
108.08114	14.0
109.06554	0.5
110.06047	0.5
110.09674	2.9
120.08092	0.7
121.02873	2.8
121.08889	2.3
122.09660	2.5
123.38261	0.5
124.07619	1.4
126.09146	16.7
128.10760	0.8
133.10150	0.6
134.09679	2.3
136.75587	0.4
138.12799	0.6
144.10201	49.6
145.10582	2.1
152.10753	1.6
166.12315	0.5
170.11819	0.7
174.47630	0.4
182.15375	0.9
191.03409	0.5
203.03397	1.2
206.15446	0.6
210.15080	0.6
217.04970	0.6
220.17061	0.7
222.18661	1.4
232.16953	3.6
233.04536	0.6
238.17940	0.6
240.19678	0.6
245.04539	0.5
248.16684	1.4
250.18034	13.1
250.20432	0.7
266.17627	1.8
268.19073	15.2
281.08121	0.7
283.06128	0.9
286.20129	12.5
294.05347	1.6
295.05972	7.1
296.06808	0.9
297.07629	1.8
304.21182	8.0
304.24408	0.6
307.05978	8.3
308.06946	1.2
309.07541	3.7
310.20450	0.5
313.07132	0.8
317.08130	0.6
319.06082	1.0
320.06946	1.1
321.07526	3.9
323.05746	1.0
323.09210	0.7
325.07077	7.9
327.08698	1.0
333.07486	2.7
335.05545	0.7
335.09323	2.0
336.06403	0.7
337.07028	6.1
339.08875	1.3
345.07785	1.5
349.07123	3.8
351.04718	0.5
351.08752	1.6
355.08414	0.9
361.07132	4.1
363.08588	2.9
367.08466	1.7
373.07211	1.8
375.08734	0.9
377.06543	0.7
379.08154	4.8
391.08139	6.9
393.09897	0.8
403.08463	0.8
405.09909	0.8
409.09171	3.3
412.23361	1.3
421.09357	0.9
430.24335	0.8
433.09412	1.6
445.09540	0.8
448.25415	0.7
451.10516	0.8
463.10577	0.6
493.11658	1.0
511.12756	0.6
535.88446	0.5
586.24194	0.6
604.26001	0.6
622.27124	0.5
639.12659	0.5
640.26038	0.5
658.26532	0.6
676.27057	0.6
724.28558	0.5
760.31976	2.1
796.32733	0.5
814.32300	1.2
832.33905	5.7
850.34882	100.0
851.34589	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	850.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71466	0.9
67.05507	2.1
70.06582	1.8
72.08157	1.9
74.35275	0.8
79.05518	1.5
81.07052	1.6
81.97010	0.8
82.06588	2.9
84.08136	8.6
86.06074	1.6
91.05514	0.8
95.05022	1.1
96.08156	3.5
98.06085	1.4
98.09715	3.8
100.07643	1.0
108.08119	20.2
108.08817	1.2
110.09673	4.3
118.12685	1.0
121.02893	1.8
126.09148	29.6
128.10751	3.4
144.10193	76.0
145.10609	1.2
200.81557	1.0
203.03383	0.9
237.23746	0.9
250.18121	3.0
268.19031	5.1
281.02557	1.0
286.20096	13.3
290.77182	1.0
294.05273	2.0
295.05927	7.4
304.21167	13.6
304.24353	1.0
307.06036	4.7
309.07727	2.8
321.07724	4.2
325.06915	4.8
337.07047	4.7
349.07367	2.4
351.08713	1.9
361.07114	2.3
363.08862	1.5
367.08359	1.3
379.08426	3.0
391.08359	3.5
409.09308	1.6
475.10010	1.4
640.26965	1.1
760.31628	3.1
814.33130	1.0
832.33392	3.6
850.34839	100.0
851.35028	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	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
67.05504	5.3
69.03429	4.3
69.07063	0.8
69.85867	0.6
70.06603	0.5
71.01361	0.6
71.05006	0.7
72.08141	1.9
73.02924	4.5
78.96055	0.3
79.05492	2.0
81.03416	1.9
81.03832	0.3
81.07068	2.9
85.02905	6.2
87.04494	0.5
91.03967	4.0
91.05489	1.2
93.07050	2.1
95.04981	0.5
95.08627	1.9
97.02898	6.6
99.04465	1.0
101.02390	1.9
103.03967	0.5
105.07046	0.9
107.08609	1.1
109.02886	1.0
109.10154	4.2
119.08624	0.9
121.10158	0.7
127.03945	2.0
133.10138	0.5
145.05026	0.4
173.11746	1.0
185.04283	1.1
195.09995	0.8
197.12914	0.4
203.05302	0.8
229.14355	0.4
233.65584	0.4
243.08441	1.3
248.60397	0.4
251.12833	0.4
253.55641	0.4
259.07886	0.3
272.92673	0.3
335.26099	0.6
347.09518	3.0
363.08899	0.8
365.10687	1.7
405.13687	7.0
413.17862	5.1
519.29230	5.3
575.23053	6.9
681.34509	9.0
681.45404	0.6
691.40076	1.6
820.66907	0.4
853.45465	100.0
854.45642	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	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.2
67.05512	5.9
69.03429	3.7
69.07072	0.5
69.85732	0.8
70.06602	0.5
71.04990	0.7
72.08172	1.6
73.02921	4.5
79.05486	1.6
81.03429	1.5
81.07059	2.6
83.04996	0.3
84.12618	0.3
85.02912	7.0
85.06557	0.4
87.04481	0.4
88.21571	0.2
91.03960	3.7
91.05507	1.0
93.07056	1.6
95.04975	0.3
95.08602	2.1
97.02894	5.9
97.06575	0.2
99.04478	1.0
101.02374	2.1
103.03938	0.6
105.07050	0.5
107.08616	0.5
109.02903	0.7
109.10163	4.8
111.08107	0.3
115.03967	0.6
117.07086	0.3
119.08614	0.8
121.10178	0.9
127.03942	1.7
131.08583	0.5
133.10144	0.4
135.11726	0.3
145.04993	0.7
155.10616	0.5
173.11749	1.2
173.13214	0.3
173.55008	0.3
185.04335	0.8
195.09998	0.4
203.05368	1.2
229.14436	0.8
243.08415	1.9
251.12646	0.4
310.21454	0.4
335.25839	0.4
347.09473	3.8
363.09140	0.8
365.10468	1.5
365.23541	0.3
405.13690	6.9
413.17850	8.3
421.12823	0.3
519.29169	4.1
575.23059	10.2
576.23663	0.4
681.34613	4.8
691.40094	1.7
853.45490	100.0
854.45850	5.4
854.61169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.6
64.63866	0.5
65.03907	0.9
67.05505	16.8
69.03410	1.1
69.07066	8.9
69.87476	1.3
70.06550	0.7
71.04994	2.7
73.02888	1.8
79.05494	8.5
81.03402	1.5
81.07056	55.0
83.04989	4.1
83.08627	5.4
85.02901	6.8
85.06544	3.5
91.03955	4.1
91.05479	17.7
93.06529	0.7
93.07045	9.1
95.04922	1.6
95.08028	1.0
95.08604	13.2
97.02899	3.0
97.06532	5.0
97.10181	0.7
99.04442	0.6
99.08095	3.2
101.05972	1.4
105.07029	25.0
106.07365	0.6
107.08595	10.5
109.06520	3.7
109.10174	1.3
111.08067	1.7
113.06007	1.1
119.08582	20.2
119.84831	0.5
121.10143	16.6
123.08072	3.7
123.11707	26.3
125.09641	0.6
127.03889	2.3
127.07533	2.1
129.06992	0.9
131.08549	1.7
133.10074	2.0
137.09540	0.6
137.13257	2.6
141.09071	1.6
143.41360	0.5
145.04935	1.3
145.10104	1.0
147.11685	66.5
148.12019	1.2
157.10098	2.2
163.05981	1.2
165.12749	30.5
175.11171	1.6
183.13789	2.7
192.09042	0.5
193.12216	1.8
211.13319	0.7
229.14345	6.1
245.68277	0.6
267.15909	78.0
268.16138	1.3
285.16962	87.5
286.17349	2.1
316.22592	0.6
449.29416	0.7
459.27560	1.3
477.21478	0.9
477.28467	16.3
478.28995	0.8
495.29520	100.0
496.29861	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.1
61.18763	1.9
65.03942	2.0
67.05506	64.9
69.03427	13.9
69.06704	3.0
69.07066	39.5
70.06574	2.2
70.90280	2.0
76.68848	1.9
79.05496	56.4
81.03399	10.5
81.07059	91.4
83.04993	11.2
83.08607	16.5
85.02898	6.2
85.06538	4.4
91.03945	2.8
91.05478	48.8
93.07044	49.6
94.17505	2.0
95.04970	21.0
95.08603	32.0
97.02914	9.5
97.06555	12.2
97.10175	14.3
99.04430	2.6
105.07037	41.6
107.04956	17.8
107.08588	36.3
109.02892	3.5
109.06521	24.3
109.10159	21.6
111.04432	3.2
111.08078	6.1
115.05444	4.4
117.07005	17.7
119.05025	2.7
119.08579	27.4
121.06484	6.5
121.10127	14.0
123.08054	7.0
123.11692	5.0
125.09618	12.6
129.06972	10.8
131.08565	21.5
133.06480	4.2
133.10127	28.2
135.08041	9.1
135.11685	12.0
137.09615	5.3
141.06941	2.6
143.08533	7.8
145.06456	2.8
145.10107	20.1
147.08031	9.1
147.11662	10.1
149.09621	12.5
149.13268	8.7
151.07404	2.0
151.11189	4.8
155.08522	2.8
157.10181	9.7
159.08101	3.8
159.11700	12.0
161.09630	7.9
161.13232	4.8
163.11189	8.8
169.10092	3.4
171.11650	5.6
173.09502	2.3
173.13237	3.9
175.11200	3.1
177.12746	5.5
179.10709	2.3
185.13242	3.7
189.11209	4.7
189.12785	2.7
195.13788	5.1
197.13014	2.5
205.12346	2.7
223.13260	13.6
227.12782	11.3
249.14815	3.8
253.14359	9.0
255.15804	4.5
257.18933	9.6
259.20502	2.3
269.17520	17.6
273.18506	27.8
275.20041	24.8
289.18033	3.7
291.19528	100.0
292.19662	2.1
293.21185	4.7
333.24179	3.3
334.36179	2.2
347.22192	10.1
349.23837	16.7
365.23239	52.9
366.75528	2.5
367.24774	11.5
381.22662	2.8
541.35358	2.9
545.34723	11.8
559.36334	45.9
621.41534	15.8
639.42432	37.7
657.43512	21.3
681.33673	3.3
854.45581	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	9.0
61.08979	2.1
65.03956	3.8
67.05506	57.8
67.05869	3.2
69.03429	13.3
69.07067	41.7
69.70546	1.3
71.04429	2.1
71.05000	7.1
72.08167	4.2
73.02930	4.5
79.05492	51.9
79.05943	2.6
81.03416	13.7
81.07059	71.7
83.04976	11.3
83.08630	16.4
85.02889	10.1
85.06563	4.4
87.04517	2.3
91.03973	5.0
91.05479	48.5
93.07046	45.7
95.04966	18.3
95.05426	1.5
95.08604	23.3
95.09127	2.1
97.02878	12.5
97.06528	10.2
97.10167	16.8
99.04469	1.9
99.08095	1.7
101.02428	1.8
103.05589	2.0
105.06364	1.9
105.07025	42.0
107.04948	19.5
107.08601	31.2
109.02908	1.9
109.06515	15.2
109.10159	18.6
111.04489	2.2
111.08110	5.6
113.06086	1.6
117.07019	17.3
117.07683	1.7
119.08585	29.1
119.09410	2.1
121.06472	7.3
121.10152	14.0
123.08114	6.3
123.11737	4.9
125.09611	9.7
127.03926	2.8
127.07645	1.9
129.07034	8.2
130.01274	1.5
131.08560	18.0
133.06560	5.5
133.10133	24.7
135.08101	6.4
135.11690	9.6
137.09666	5.6
141.07008	2.3
143.08548	9.4
145.06525	2.8
145.10158	12.2
147.08093	7.2
147.11682	13.7
149.09596	9.6
149.13225	8.5
151.11253	3.3
155.08604	3.2
157.10196	7.1
159.08063	1.6
159.11674	9.2
161.09688	5.1
161.13315	4.4
163.11250	6.0
163.14865	3.1
165.09213	1.5
165.12761	2.2
169.10255	1.8
169.12230	1.9
171.11769	6.5
173.13287	4.0
175.11255	5.0
175.14832	1.7
177.12804	4.4
179.14337	1.9
183.11754	3.8
185.04315	1.9
185.13377	1.9
187.11272	1.7
187.14920	1.7
189.11305	5.9
189.12827	1.9
193.12294	2.9
195.12064	1.7
195.13783	3.6
197.13411	2.1
199.14818	3.1
205.12239	1.7
207.68666	1.7
223.13309	14.8
224.56607	1.9
227.12723	9.0
239.17934	2.4
243.08649	2.0
249.14934	2.1
253.14410	5.8
255.15846	2.6
257.19086	6.9
259.20752	2.0
267.15958	2.6
269.17462	9.0
273.18469	16.9
275.20026	35.9
291.19531	89.3
292.20084	2.6
293.21191	4.1
333.24323	2.6
347.09714	2.2
347.22351	5.4
349.23737	26.7
365.23230	55.3
367.24777	17.7
381.22913	2.3
405.13898	4.5
413.18048	4.4
519.33765	2.1
520.29535	1.9
527.34503	2.4
541.34979	2.6
545.34619	11.1
559.36365	30.6
576.23828	2.7
583.39642	2.0
621.41614	4.7
639.42627	49.0
657.43567	27.7
682.35089	4.5
707.43048	2.0
854.45880	100.0
855.45923	4.4
882.02954	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	72.5
65.03919	1.6
67.05504	49.2
69.03424	10.2
69.03982	0.9
69.07066	9.9
70.04987	2.0
70.74159	0.7
71.04974	2.8
71.08618	1.2
73.02917	24.9
77.03914	0.8
79.05490	29.5
81.03433	5.4
81.07056	61.8
83.04960	1.4
83.08617	5.8
85.02903	88.7
85.06523	1.9
87.04465	1.9
91.03954	77.5
91.05473	15.1
93.07043	39.5
95.04967	4.2
95.08604	50.1
97.02890	44.2
97.06548	2.6
97.10152	2.4
99.04462	5.7
99.08087	2.0
101.02361	1.5
103.03929	2.1
105.04507	1.2
105.07021	14.2
107.08589	26.1
109.02872	3.1
109.06498	1.9
109.10154	29.3
111.08094	1.1
111.11695	1.2
115.03929	5.6
117.05495	2.0
117.07020	6.3
119.08578	11.2
121.10144	27.3
123.08060	1.4
123.11700	14.7
125.09641	1.6
126.94330	0.7
127.03917	34.3
129.06950	1.0
131.08565	16.1
133.10135	11.7
133.11130	1.3
135.11694	21.9
137.09631	2.3
137.13261	7.0
139.11201	1.3
145.04955	49.4
145.10124	11.0
147.11714	9.0
149.09631	0.9
149.13252	16.9
151.11160	1.7
151.14822	2.7
153.12703	1.1
154.30661	0.7
159.11678	10.8
161.13268	9.7
163.06013	100.0
163.14806	13.4
165.12778	2.7
173.13252	12.7
175.14842	2.9
177.12746	2.1
177.16338	5.6
179.14275	3.0
181.07018	1.1
187.14833	6.6
189.16403	1.6
195.13739	0.8
201.16431	2.4
204.08740	1.4
205.15900	1.5
215.17883	1.2
219.17496	1.4
233.22675	2.5
243.18571	1.5
243.21085	33.1
261.22128	95.8
262.22580	1.8
263.23633	1.8
279.23154	5.1
307.10114	1.1
317.24524	1.3
325.11224	8.3
335.21716	1.2
335.25784	33.7
353.26852	87.5
354.27225	2.5
381.64319	0.7
461.28726	1.0
488.18567	0.8
497.31073	9.4
659.35608	0.8
770.50262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.6
65.03947	3.2
67.05505	72.5
69.03431	10.3
69.07068	41.1
69.83758	3.8
71.05006	7.1
73.02911	2.1
75.10869	1.1
77.03941	1.7
79.05495	69.7
79.18578	1.1
81.03426	12.8
81.07056	100.0
83.04983	14.2
83.08618	18.2
85.02909	4.1
85.06551	5.8
91.05482	64.4
93.07046	63.1
95.04979	18.5
95.08606	46.0
95.13302	1.2
97.02912	4.3
97.06530	14.0
97.10161	13.0
98.23314	1.7
98.42934	1.1
99.08093	5.2
103.05473	2.0
105.04523	4.7
105.07028	61.9
107.04951	14.2
107.08592	45.0
109.02879	2.2
109.06522	19.2
109.07222	1.9
109.10159	18.9
110.15784	1.4
111.04479	1.6
111.08074	6.6
113.06008	1.5
113.09599	1.1
115.05484	3.4
116.06220	1.3
117.07019	24.3
119.08575	40.6
121.06477	5.7
121.10149	23.0
123.04463	1.6
123.08059	8.5
123.11685	7.6
125.09614	10.4
127.03934	3.8
128.06239	4.1
129.07011	11.5
131.08569	30.3
133.06544	3.7
133.10135	33.5
135.08099	6.3
135.11688	15.7
137.09601	5.6
141.07013	4.8
142.07780	1.5
143.08572	11.0
144.09389	1.3
145.10130	29.2
147.08095	3.3
147.11682	23.7
149.09602	17.0
149.13260	12.6
151.11217	3.6
155.08588	5.4
157.10138	11.9
159.08095	2.5
159.11693	22.5
161.09573	1.9
161.13239	8.5
163.11198	12.3
163.14880	2.5
165.12788	3.8
167.08629	1.4
169.10158	6.6
171.11673	9.9
173.04469	1.6
173.09647	2.4
173.13235	9.7
175.11259	4.0
175.14763	2.1
177.12706	6.2
179.14336	3.3
181.12253	2.3
183.11705	8.1
185.13235	9.1
187.11270	2.7
187.14845	2.5
189.11237	4.0
189.12764	2.1
191.14197	1.4
193.10188	1.9
193.12289	1.9
195.11722	2.8
195.13823	4.0
197.13304	4.2
199.14870	2.7
201.12735	2.6
201.16418	2.6
203.14363	3.5
205.12206	1.4
207.13741	1.5
211.14816	2.4
213.16537	2.4
215.17848	1.5
219.17506	3.5
223.13065	1.7
225.16357	1.6
227.12793	12.0
229.14302	3.1
229.19534	4.1
239.18045	9.1
245.13953	1.7
247.20569	5.0
253.18037	1.7
255.15753	7.7
257.19012	27.4
259.20526	1.6
267.15903	3.7
269.17456	24.9
273.18469	2.3
275.20065	81.4
291.19434	2.5
293.21051	13.7
313.21768	1.6
331.22650	8.3
349.23724	73.9
350.24100	1.6
367.24808	31.9
405.26730	1.4
419.24152	1.3
431.27951	2.2
445.29269	2.0
447.31488	1.4
449.28970	10.6
463.30716	14.4
485.32574	1.7
503.33609	3.8
519.33130	4.1
525.36090	2.6
527.37366	1.6
529.35461	6.6
537.34302	2.1
543.28571	1.8
543.36847	29.5
547.35992	3.5
561.38257	6.7
583.39404	2.1
605.41907	3.4
623.43060	23.0
641.33685	2.3
641.44061	35.5
659.44690	2.2
837.97430	1.5
856.54797	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.4
65.03938	3.0
67.05503	59.6
69.03430	6.1
69.07068	35.5
69.07446	1.7
69.83762	4.2
71.04999	2.8
73.02881	1.4
77.03925	1.4
79.05490	56.3
81.03412	10.4
81.07055	100.0
83.04978	10.5
83.08616	17.6
85.02905	4.8
85.06553	5.2
91.03951	1.3
91.05477	46.8
93.07040	48.2
95.04962	16.3
95.08606	40.2
95.09217	2.2
97.02874	2.2
97.06526	15.5
97.10172	11.8
98.22670	1.4
99.04395	1.2
99.08100	3.4
103.05468	2.2
105.04520	2.9
105.07027	49.8
107.04968	10.7
107.08595	41.0
109.02804	1.1
109.06520	18.5
109.10152	14.6
111.04439	2.1
111.08096	6.3
113.09650	1.5
115.05471	1.6
117.07027	17.7
119.08578	36.6
121.06512	6.1
121.10137	20.0
123.08061	7.1
123.11726	7.9
125.09629	9.7
127.03904	2.8
129.05452	1.8
129.06984	7.4
131.08565	22.4
133.06512	2.3
133.10129	26.7
135.08080	7.4
135.11682	12.6
137.09633	4.4
139.11174	1.7
141.06998	2.9
143.08574	4.1
145.10103	20.3
147.08047	2.5
147.11688	18.1
147.63538	1.4
149.09619	15.0
149.13260	11.0
151.11232	3.0
155.08569	3.2
157.10158	7.8
159.08028	2.0
159.11664	14.8
161.09651	3.9
161.13255	5.7
163.11186	13.7
163.14830	1.8
165.12753	4.7
169.10121	3.2
171.10049	1.4
171.11652	3.7
173.09605	2.7
173.13223	6.7
175.11169	2.7
177.12755	5.2
179.14449	3.4
183.11668	3.6
185.13341	2.0
187.11230	2.4
189.11198	4.7
189.12714	1.9
191.14366	2.5
193.12225	2.5
195.13820	3.3
197.13330	2.2
199.14813	1.4
201.12711	1.8
207.13852	2.1
211.14925	1.3
215.17955	2.4
227.12776	10.9
229.14383	2.8
229.19507	4.4
233.46040	1.3
238.19249	1.3
239.17957	3.5
247.20544	4.8
255.15874	3.4
257.19006	12.0
259.20538	1.7
267.15897	2.6
269.17487	19.7
275.20047	71.9
291.19467	2.2
293.21088	13.6
331.22668	3.8
333.24341	1.8
349.23730	76.0
360.25409	1.6
367.24780	36.6
413.21771	2.4
419.24228	1.3
449.28784	3.6
463.30643	7.8
503.33701	3.0
513.35919	1.7
519.33234	3.6
529.35419	6.9
537.33905	2.4
543.36792	26.3
545.37903	2.0
547.36206	6.4
561.37640	15.0
605.42029	1.7
623.42987	25.0
641.44012	30.5
659.44672	5.3
687.39709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.4
65.03932	2.1
67.05505	40.9
69.03425	2.8
69.07068	22.7
69.07448	1.2
71.04991	2.7
73.02940	0.6
77.03901	0.8
79.05489	35.7
81.03428	4.5
81.07054	100.0
82.07397	0.7
83.04980	6.5
83.08618	13.0
85.02903	1.5
85.06526	3.2
86.01046	0.5
87.08058	0.6
91.05477	31.3
93.07043	31.7
94.07351	0.5
95.04968	12.2
95.08601	28.6
97.02885	1.5
97.06532	10.4
97.10155	2.2
99.04429	0.7
99.08100	3.3
103.05458	0.8
105.04523	1.6
105.07028	31.6
107.04955	9.6
107.08590	20.6
107.09331	0.6
109.06514	28.4
109.10140	9.4
111.04430	1.0
111.08086	4.6
113.06029	0.7
115.05461	0.8
117.07015	7.8
119.08578	27.9
120.08930	0.6
121.06502	5.6
121.10140	17.6
123.04409	0.7
123.08077	7.8
123.11699	8.7
125.09628	2.4
127.07572	1.0
128.06218	0.7
129.06973	4.3
130.07770	0.7
131.04959	0.6
131.08569	12.8
133.06485	1.5
133.10127	19.6
135.08073	4.9
135.11700	6.6
137.09605	4.7
139.11174	1.2
141.07022	0.7
143.08562	2.9
145.06570	1.2
145.10115	12.5
147.08058	2.7
147.11673	20.8
149.09616	8.7
149.13249	8.4
151.07530	0.8
151.11215	3.2
153.08992	0.7
155.08559	1.7
157.10155	5.7
159.08115	1.4
159.11685	10.0
161.09583	2.0
161.13240	4.1
163.11179	8.5
163.14790	2.9
165.12743	5.3
169.10117	1.4
171.11682	2.6
173.09615	1.2
173.13301	4.6
175.11176	3.5
175.14893	1.3
177.12762	2.4
179.14302	1.8
183.11684	2.0
185.13298	1.7
187.11198	1.6
187.14819	1.5
189.12776	1.0
191.14253	0.9
193.12276	2.0
195.13800	0.8
197.13235	1.4
201.12662	0.8
201.16457	0.6
205.15691	0.7
207.13792	1.5
213.16428	0.7
215.14343	0.7
219.13783	0.8
227.12779	0.7
229.19398	2.5
233.18958	0.7
239.17955	2.7
247.20587	4.7
257.18991	5.4
267.16000	1.4
269.17517	0.8
275.20059	64.3
276.20441	1.2
291.19562	1.5
292.19998	1.1
293.21072	12.1
298.54929	0.5
339.08566	0.7
349.23715	53.9
350.24158	1.7
365.23206	1.1
367.24780	71.3
368.25122	1.5
388.51447	0.6
512.22101	0.6
543.36987	1.2
559.35748	0.8
561.37640	1.1
567.40240	1.3
605.40466	0.6
623.43054	37.5
641.44061	45.6
642.44360	2.6
659.45099	46.8
660.45459	1.4
856.45197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.9
67.05505	89.0
69.03427	4.0
69.07071	19.7
71.04996	8.8
79.05491	42.6
81.03432	7.1
81.07056	65.9
83.04955	4.2
83.08614	10.7
85.06552	5.0
88.43575	1.8
91.05479	30.2
93.07042	52.2
93.07600	3.3
95.04986	8.1
95.08599	41.3
96.09760	2.0
97.02895	2.0
97.06544	7.9
97.10177	6.8
105.07027	22.0
107.08588	29.4
109.06562	3.8
109.10152	51.3
111.08080	4.2
117.07010	9.2
119.08571	16.8
121.10152	22.4
121.80661	1.8
123.11718	6.5
125.09638	4.9
129.06995	2.4
131.08595	12.5
133.10126	17.2
135.08130	2.2
135.11725	8.9
137.09676	4.0
143.08681	1.7
145.10141	11.4
147.11681	12.2
149.09615	3.5
149.13220	10.4
155.08601	2.0
155.10669	3.6
157.10129	2.9
159.11716	10.8
161.13304	3.7
163.11150	3.0
163.14818	3.0
171.11778	2.3
173.11766	10.2
173.13293	6.7
177.12730	2.6
185.13338	2.2
187.14819	3.2
189.11227	2.5
213.03735	1.7
227.12735	8.2
229.14331	59.0
243.21082	3.5
249.18831	1.7
257.19055	4.6
261.22165	17.9
269.17548	7.0
275.20087	16.5
293.21280	1.9
317.24649	3.2
335.25797	100.0
349.23727	17.9
387.25833	1.7
413.21841	6.2
419.50122	2.0
482.95483	2.3
489.35709	54.3
490.36258	3.0
507.36765	5.5
529.38922	61.0
530.39673	2.9
545.37793	1.8
569.41949	5.7
609.36414	2.9
609.45197	32.2
641.47925	9.9
673.42816	8.1
764.65234	2.1
854.64240	2.1
857.48071	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	858.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.7
66.67564	0.4
67.05511	3.0
69.24166	3.0
70.06591	0.8
71.95733	0.5
72.08138	0.6
73.05305	0.9
79.05491	7.5
81.03441	1.7
81.07056	3.4
81.11893	0.5
83.04990	0.6
83.08656	0.7
83.20604	0.5
88.07656	0.8
91.05474	8.2
93.07052	3.7
95.04988	2.0
95.08640	1.8
97.02886	0.6
97.06544	1.2
99.08184	0.7
103.05479	1.4
105.07042	4.8
107.04954	3.7
107.08621	1.6
108.08095	0.5
109.02908	0.4
109.06556	1.5
110.09676	2.8
111.04478	0.8
115.05468	0.9
117.06997	3.9
118.08668	1.3
119.04949	1.5
119.08604	2.1
121.02866	5.7
124.95551	0.4
127.03953	1.1
127.44649	0.4
128.10718	17.0
129.07034	2.3
131.08582	4.7
133.06519	1.2
133.10182	0.7
135.08073	0.9
138.66431	0.6
141.07037	1.8
143.08473	0.6
145.06569	0.7
145.10141	2.1
147.08131	0.6
149.13391	0.8
155.08589	1.2
157.10167	1.8
159.08014	0.5
159.11757	1.5
171.11711	1.0
173.13271	2.5
175.11145	0.7
183.08241	0.5
183.11803	1.5
189.01810	1.1
191.03516	0.9
201.12839	1.4
203.03467	1.1
213.12679	0.6
215.03316	0.6
217.05043	0.5
219.03059	0.9
219.13695	2.7
233.04651	0.8
275.20053	0.6
281.08023	1.2
283.06055	2.4
284.06927	0.7
285.07846	0.6
292.06973	0.5
293.08145	0.7
294.05267	4.7
295.06003	10.8
296.06747	0.9
297.07477	2.4
307.05997	13.6
308.06805	3.5
309.07501	6.5
313.07010	3.8
319.06345	1.5
320.06839	1.7
321.07550	7.6
322.08398	1.3
323.05676	1.1
323.09146	0.9
325.07040	12.7
325.10593	0.8
327.08582	3.1
333.07590	4.8
334.08264	0.7
335.09219	3.7
336.06482	0.7
337.07047	19.1
339.08737	1.6
345.07599	2.4
347.05472	0.8
347.09283	1.4
349.07019	8.5
349.10992	0.6
351.08612	6.8
355.08331	2.2
359.09009	0.8
361.07013	10.0
361.11276	0.6
363.08621	5.9
367.08197	2.7
373.07080	4.3
375.08737	1.8
377.10422	0.8
379.08127	14.9
381.19000	0.6
387.08798	0.8
391.08099	16.0
393.10019	0.7
403.07983	3.2
405.09894	0.6
409.09158	7.3
415.08423	1.1
421.09488	1.9
427.10486	2.1
433.09232	1.0
439.10324	0.8
445.09549	1.1
457.10825	0.5
463.10229	0.8
475.10669	0.6
481.11575	2.1
493.11407	1.0
511.12616	1.1
555.20538	1.0
597.21271	1.9
627.22266	1.4
645.23291	1.7
663.24207	2.4
675.24457	0.7
693.25232	3.1
717.25116	2.9
729.25031	2.6
747.26617	6.0
765.27551	7.6
768.32172	2.0
783.28345	4.5
822.33337	1.5
840.34460	4.9
858.35370	100.0
859.35999	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	859.4816
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02926	2.7
62.92891	0.4
65.68712	0.4
67.05502	5.5
69.03437	2.5
69.07071	2.5
69.48603	1.2
69.49014	0.9
70.06596	1.5
71.05008	0.6
72.08141	0.5
73.02917	1.8
79.05489	4.6
81.03419	1.6
81.07051	6.5
82.07397	0.6
83.04978	0.7
83.08648	0.9
85.02898	3.4
91.03980	1.7
91.05477	4.0
93.07031	3.8
95.04974	1.9
95.08601	2.3
96.08910	0.5
97.02892	2.9
97.06532	1.1
97.10178	0.8
97.18304	0.4
99.08070	0.5
101.02397	1.8
105.07034	3.0
107.04974	1.2
107.08623	2.3
109.02893	0.9
109.06532	1.1
109.10178	1.5
111.08078	0.6
117.07015	1.2
119.08593	2.0
121.06508	0.7
121.10134	1.0
123.11749	0.5
124.15007	0.4
127.03922	0.8
131.08565	1.1
133.10210	1.1
135.11732	1.0
137.09663	0.5
145.10118	0.9
147.11763	0.9
149.09700	0.6
149.13206	0.9
159.11742	0.8
223.13312	0.6
229.14314	0.5
243.08351	3.6
244.53720	0.4
271.97339	0.4
291.19559	1.3
301.09064	0.5
331.18866	1.1
333.20477	1.7
335.22177	0.4
335.25955	1.7
336.26306	0.7
350.24277	0.5
367.24750	0.5
465.21539	0.7
519.21985	2.0
529.39044	0.5
530.39569	0.8
535.28912	2.2
549.26868	4.3
551.28424	3.5
555.28070	0.4
626.45227	0.8
644.46204	0.8
813.43909	7.3
841.46985	0.8
842.47791	0.5
859.47925	100.0
860.48358	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	859.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.8
67.05503	5.5
69.03427	3.3
69.07070	2.9
70.06605	0.8
71.04997	1.0
72.08172	0.8
72.50570	0.4
73.02927	2.4
79.05493	4.4
79.56740	0.4
81.03425	2.0
81.07063	6.4
81.07507	0.6
83.04982	1.1
83.08636	1.3
84.08141	0.6
85.02906	3.7
91.03973	1.7
91.05470	2.8
92.56304	0.5
93.07052	3.8
93.25125	0.5
95.04984	1.1
95.08617	2.8
97.02911	3.4
97.06549	0.9
97.10201	0.9
99.04471	0.8
99.41167	0.6
101.02391	1.1
101.06039	1.7
105.07047	2.8
107.04959	0.6
107.08617	1.9
109.02895	0.9
109.06544	1.2
109.10138	2.2
111.08041	0.6
112.07675	0.6
116.07077	0.4
117.06998	1.1
119.08579	2.4
121.10187	1.7
123.08150	0.7
123.11652	0.4
127.03960	0.8
131.08580	0.5
133.10083	2.2
135.11693	0.8
143.08633	0.5
145.10149	1.0
147.11742	1.3
149.09674	0.5
149.13243	0.6
151.11163	0.6
159.11740	0.8
165.12798	0.5
172.09702	2.3
173.09991	0.7
185.04306	0.7
223.13318	1.1
229.14366	0.8
243.08366	3.9
291.19635	0.8
331.18961	2.0
333.20490	2.0
335.25998	0.7
387.21481	0.6
389.08069	0.5
389.23239	0.8
423.19794	0.8
453.21466	0.5
481.20898	0.6
549.26965	4.7
551.28351	6.3
621.29150	0.6
697.48016	0.6
859.48004	100.0
860.48334	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	859.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.0
67.05497	3.7
67.18027	0.7
69.03449	2.3
69.07087	1.7
71.04999	1.7
73.02937	2.8
79.05519	3.0
81.03397	0.8
81.07047	4.1
83.08619	0.7
85.02930	3.6
89.49335	0.6
91.03975	1.5
91.05480	4.2
93.07043	4.6
95.08630	2.2
97.02877	3.2
101.02399	1.5
105.07076	2.0
107.08625	1.8
109.10223	0.9
117.07055	0.9
119.08640	2.3
121.10176	1.2
123.11782	0.6
131.08617	1.3
133.10164	1.5
135.11752	0.7
147.11702	1.3
159.11707	0.9
176.60205	0.6
185.04169	0.9
232.28725	0.7
243.08386	3.3
264.89236	0.7
301.09088	1.1
347.22021	4.4
359.03061	0.7
465.21106	1.1
481.20895	2.2
535.28815	5.4
565.29749	6.0
637.32239	0.8
693.39764	0.9
748.12714	0.8
775.42273	1.7
859.51721	100.0
860.52179	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	860.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19376	1.6
67.05512	4.7
69.33173	7.6
70.06593	3.8
72.08172	2.7
79.05495	1.6
81.07051	7.3
84.08141	15.8
91.05492	2.2
93.07069	1.9
95.08629	2.5
96.08134	4.3
98.09707	2.5
110.09662	10.9
111.10475	3.6
112.11284	6.5
120.63380	1.4
121.02871	2.5
124.11243	3.0
128.10753	4.1
147.04407	4.0
152.14297	1.6
167.04222	1.6
170.11739	2.3
236.20102	22.8
254.21147	48.2
267.69907	1.5
295.05963	8.9
296.22226	3.4
307.06073	7.8
309.07578	3.6
314.23428	4.7
321.07617	5.7
325.07138	6.9
333.07364	1.6
337.06845	9.3
349.07166	3.4
351.08646	3.4
355.08182	1.6
361.07098	5.5
363.08682	2.0
373.07101	2.8
375.08704	2.7
377.10681	1.7
379.08194	3.5
391.08246	5.7
409.09262	2.4
590.27527	3.1
614.27136	2.1
620.28784	3.3
644.28314	2.0
676.30280	1.9
764.33405	1.9
770.33563	4.4
800.34290	2.8
800.80688	2.0
812.54590	1.8
842.36389	6.0
860.36902	100.0
861.37512	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	861.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36227	0.6
83.33495	0.5
185.04277	0.7
203.05380	1.9
254.19252	0.5
257.67288	0.6
259.08118	0.7
275.07404	0.6
301.20306	0.6
305.08508	1.1
329.08725	1.1
342.95908	0.5
347.09555	5.7
365.10538	5.8
407.12076	1.7
421.13239	1.7
437.13425	0.8
467.13879	2.1
491.14240	0.6
509.14804	4.5
527.15839	5.9
537.30194	3.8
583.18402	3.2
699.35620	9.1
795.91907	0.7
861.40796	100.0
862.40973	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	861.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.6
67.05519	0.8
69.51153	0.3
69.74706	0.9
72.08166	0.9
79.05476	0.5
81.07077	0.7
85.02919	0.5
93.07033	0.4
98.22746	0.6
105.56732	0.3
109.10216	0.4
198.77116	0.3
223.92429	0.4
349.16919	0.5
378.41928	0.4
551.27698	0.9
567.25220	0.6
619.29504	0.5
748.08466	0.4
861.47650	100.0
862.47974	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	861.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	0.6
67.05514	1.0
69.03446	0.6
69.07083	0.7
70.06626	0.3
72.08164	0.6
73.02922	0.5
79.05523	0.7
81.03442	0.4
81.07052	1.7
83.08629	0.4
85.02935	0.6
91.03986	0.9
91.05501	0.7
93.07072	1.0
95.04957	0.4
95.08616	0.8
95.61075	0.3
97.02892	0.7
97.06551	0.4
98.22676	0.3
101.02410	0.3
105.07059	0.6
107.04991	0.4
107.08608	0.6
109.10166	0.5
117.07024	0.4
119.08572	0.4
121.10192	0.4
133.10187	0.4
137.06137	0.3
139.52371	0.3
159.92325	0.3
240.21367	0.3
243.08394	0.8
325.08624	0.3
333.20432	0.7
360.96634	0.3
410.58609	0.3
480.57825	0.3
500.29874	0.3
551.27997	1.8
553.28638	0.5
567.26453	0.8
861.47943	100.0
862.48151	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.7
65.03938	0.3
67.05514	2.5
69.03438	1.5
69.07069	1.0
69.50965	0.6
69.51367	0.8
71.05000	0.4
72.08156	0.5
73.02914	2.0
79.05497	1.3
81.03421	0.8
81.07063	3.3
83.05027	0.4
83.08633	0.8
85.02897	2.2
89.13114	0.3
90.64957	0.3
91.03959	1.0
91.05489	1.5
93.07045	2.1
95.04948	0.6
95.08643	1.4
97.02898	1.6
101.02354	0.6
101.07135	0.3
105.07021	1.6
107.04971	0.5
107.08617	1.0
109.06561	0.7
109.10175	1.0
117.07041	0.4
119.08590	0.7
121.06517	0.4
121.10162	0.6
123.11709	0.4
127.03919	0.4
129.59506	0.3
131.08586	0.7
133.10139	1.1
135.11685	0.5
145.10172	0.6
147.11716	0.4
149.09682	0.4
163.11235	0.4
170.13712	0.3
223.58012	0.3
243.08411	2.3
292.76215	0.3
313.08981	0.3
333.20328	2.8
389.23047	0.9
423.20383	0.6
431.05148	0.3
481.20828	0.4
551.28241	8.2
623.30823	0.4
733.41846	0.6
815.46069	0.3
843.52020	0.5
861.48712	100.0
862.49243	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	861.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
63.04213	0.2
67.05502	3.4
68.57163	0.2
69.03427	1.9
69.07066	2.5
70.66962	0.2
71.01367	0.3
71.05002	0.5
73.02921	2.3
79.05489	2.2
81.03416	1.2
81.07057	6.8
83.05000	0.7
83.08630	0.8
85.02904	2.8
85.06571	0.4
91.03971	1.4
91.05486	2.3
93.07059	2.1
95.04991	0.9
95.08606	2.2
97.02899	3.5
97.06539	0.8
98.23446	0.9
99.04469	0.8
101.02387	1.3
105.07047	2.3
107.04980	0.4
107.08596	1.6
109.02898	0.6
109.06556	0.8
109.10167	0.8
111.08067	0.3
117.07085	0.4
119.08564	2.0
121.06506	0.3
121.10172	1.1
123.08087	0.3
123.11735	0.9
127.03935	0.7
127.42873	0.2
131.08606	0.9
133.10191	1.0
135.08115	0.3
135.11717	0.5
137.90172	0.3
145.05026	0.3
145.10170	0.5
147.11719	1.8
149.13290	0.7
157.10216	0.3
159.11778	0.7
163.11278	0.2
165.12727	0.4
169.10014	0.3
171.11711	0.4
185.04250	0.4
186.87466	0.3
203.05199	0.5
243.08385	3.6
259.08087	0.4
275.20172	0.8
301.08975	0.5
303.19357	0.5
313.08920	0.5
313.47772	0.2
315.10394	0.3
333.20337	4.1
355.13672	0.3
369.15320	0.4
389.23108	1.2
423.20117	1.6
425.21609	0.6
481.20532	0.7
483.22110	0.3
551.28241	13.4
623.30359	1.1
665.35419	0.4
699.45215	0.2
733.41522	1.2
791.42010	0.3
861.49573	100.0
862.49841	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.9
63.23679	0.4
67.05508	3.7
69.03445	2.1
69.07075	2.1
70.06591	0.7
71.04995	0.5
73.02912	2.5
75.05416	0.4
79.05490	4.0
81.03419	1.0
81.07069	3.4
83.04989	0.8
85.02891	2.4
85.86936	0.4
88.86646	0.4
91.03979	1.4
91.05477	3.0
93.07059	3.2
95.04977	1.4
95.08612	1.8
97.02895	2.5
97.10188	1.3
101.02399	1.4
105.07063	1.7
107.08551	1.9
109.02887	0.7
109.06517	0.5
109.10188	0.9
117.07040	0.8
119.08618	1.3
121.10160	0.9
125.09665	1.3
127.03931	0.6
131.08607	1.4
133.10158	1.0
135.08102	0.6
143.08578	0.6
145.10155	0.7
147.11705	0.7
161.13348	0.4
177.80261	0.4
179.56290	0.4
185.04269	0.4
189.11270	0.5
198.80894	0.4
243.08412	3.1
301.08945	1.1
305.84650	0.4
313.09042	0.5
314.05896	0.5
315.19534	0.6
333.20346	2.6
389.22787	0.5
453.21283	0.6
465.21286	1.1
533.27448	0.6
551.28278	8.1
567.27612	0.6
569.29431	1.4
580.06281	0.4
623.30267	1.1
681.48547	0.9
843.52991	1.4
861.49536	100.0
862.49567	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	861.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.9
67.05495	5.5
69.03111	0.7
69.03429	3.7
69.07087	2.3
69.10563	4.8
71.05000	1.7
72.60831	0.7
73.02914	5.3
79.05492	4.8
81.03436	2.3
81.07062	5.4
83.08645	1.4
85.02914	6.9
88.27939	0.6
91.03960	3.2
91.05498	4.2
93.07043	5.2
95.05022	1.1
95.08617	4.2
97.02885	5.2
101.02400	1.9
102.73860	0.7
105.07053	1.6
107.08618	2.8
109.02885	1.0
109.06547	1.1
109.10181	1.6
117.07043	0.9
119.08627	1.3
121.10175	1.9
127.03974	1.7
131.08600	1.3
135.11729	1.3
149.13306	0.8
156.43689	0.6
159.11795	0.8
185.04327	1.0
185.06197	0.6
203.05302	1.1
243.08388	3.4
365.23059	5.2
469.28354	0.7
519.29468	6.0
583.31036	5.8
675.99963	0.8
861.53387	100.0
862.53552	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	862.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58788	0.5
67.05510	1.7
70.06600	2.0
70.09214	0.8
70.09572	1.2
72.07808	0.7
72.08147	4.0
79.05496	1.5
81.07066	2.9
82.06584	0.7
82.52355	0.5
84.08158	2.1
91.05486	0.7
93.07063	1.6
95.08623	2.3
96.08144	1.8
97.06489	0.5
98.09702	2.1
100.07626	0.7
105.07070	0.5
108.08115	2.9
110.09686	2.4
119.04980	0.6
121.02847	3.8
121.10175	0.8
122.09661	0.8
124.11224	0.8
126.09165	2.5
128.10756	1.4
144.10204	5.8
145.02992	0.7
189.01872	0.9
196.16963	0.8
203.03317	0.7
219.02905	0.7
236.20128	0.9
241.07288	0.5
254.21188	2.4
255.21623	1.0
257.55884	0.5
262.21643	3.3
278.21259	1.9
280.22733	8.6
280.25870	0.6
281.07907	0.5
282.24292	0.5
283.05997	1.1
284.06894	0.7
294.05283	2.0
295.06009	9.1
295.09058	0.9
296.06427	0.7
296.22479	1.3
297.07666	1.4
298.23755	12.0
298.26944	0.9
307.06015	7.7
307.09308	0.9
308.06848	1.8
309.07465	3.1
313.07080	1.2
314.23343	0.7
316.24802	20.3
317.07971	0.8
319.06018	1.1
320.06830	0.6
321.07501	4.3
322.08261	0.6
325.07062	6.6
327.08743	1.2
333.07635	2.8
335.09225	1.7
337.07047	6.8
337.10629	0.5
339.08844	1.9
345.07620	1.9
347.09213	0.8
349.07031	5.3
351.08557	2.6
361.07040	3.5
363.08524	3.3
364.08984	0.7
367.08368	1.8
373.07138	1.5
375.08667	1.4
379.08197	4.9
387.09003	0.7
391.08130	7.4
392.08307	0.6
393.09689	0.7
403.08453	1.0
409.09134	3.4
415.27667	0.6
421.09369	1.3
427.10007	0.6
433.09323	1.3
442.27979	0.9
445.10031	0.5
457.09415	0.8
460.29199	1.2
463.10144	0.7
601.40521	0.7
604.94879	0.6
652.31030	1.0
670.29907	0.7
676.30273	1.0
688.31989	0.7
706.32220	0.8
772.34900	3.4
802.36926	1.0
826.35791	1.8
844.37524	7.1
862.38440	100.0
863.38086	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	862.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58788	0.5
67.05510	1.7
70.06600	2.0
70.09214	0.8
70.09572	1.2
72.07808	0.7
72.08147	4.0
79.05496	1.5
81.07066	2.9
82.06584	0.7
82.52355	0.5
84.08158	2.1
91.05486	0.7
93.07063	1.6
95.08623	2.3
96.08144	1.8
97.06489	0.5
98.09702	2.1
100.07626	0.7
105.07070	0.5
108.08115	2.9
110.09686	2.4
119.04980	0.6
121.02847	3.8
121.10175	0.8
122.09661	0.8
124.11224	0.8
126.09165	2.5
128.10756	1.4
144.10204	5.8
145.02992	0.7
189.01872	0.9
196.16963	0.8
203.03317	0.7
219.02905	0.7
236.20128	0.9
241.07288	0.5
254.21188	2.4
255.21623	1.0
257.55884	0.5
262.21643	3.3
278.21259	1.9
280.22733	8.6
280.25870	0.6
281.07907	0.5
282.24292	0.5
283.05997	1.1
284.06894	0.7
294.05283	2.0
295.06009	9.1
295.09058	0.9
296.06427	0.7
296.22479	1.3
297.07666	1.4
298.23755	12.0
298.26944	0.9
307.06015	7.7
307.09308	0.9
308.06848	1.8
309.07465	3.1
313.07080	1.2
314.23343	0.7
316.24802	20.3
317.07971	0.8
319.06018	1.1
320.06830	0.6
321.07501	4.3
322.08261	0.6
325.07062	6.6
327.08743	1.2
333.07635	2.8
335.09225	1.7
337.07047	6.8
337.10629	0.5
339.08844	1.9
345.07620	1.9
347.09213	0.8
349.07031	5.3
351.08557	2.6
361.07040	3.5
363.08524	3.3
364.08984	0.7
367.08368	1.8
373.07138	1.5
375.08667	1.4
379.08197	4.9
387.09003	0.7
391.08130	7.4
392.08307	0.6
393.09689	0.7
403.08453	1.0
409.09134	3.4
415.27667	0.6
421.09369	1.3
427.10007	0.6
433.09323	1.3
442.27979	0.9
445.10031	0.5
457.09415	0.8
460.29199	1.2
463.10144	0.7
601.40521	0.7
604.94879	0.6
652.31030	1.0
670.29907	0.7
676.30273	1.0
688.31989	0.7
706.32220	0.8
772.34900	3.4
802.36926	1.0
826.35791	1.8
844.37524	7.1
862.38440	100.0
863.38086	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	863.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.5
65.03947	0.4
66.99466	0.3
67.05501	3.6
69.03422	2.0
69.07069	2.3
69.73636	1.0
70.06583	0.3
73.02927	2.4
74.04251	0.3
74.22675	0.3
79.05486	3.2
81.03436	1.2
81.07053	3.6
81.07430	0.3
83.04961	0.3
83.08633	0.9
85.02908	2.9
85.94720	0.3
87.04493	0.4
91.03961	2.5
91.05472	2.9
93.07049	2.6
95.04971	0.8
95.08601	1.8
97.02894	3.2
97.10177	0.7
101.02389	1.0
103.03941	0.3
105.04528	0.4
105.07027	2.1
105.79721	0.3
107.08574	2.0
109.02917	0.8
109.10173	2.0
117.06967	0.4
119.08563	1.7
120.42918	0.3
121.10175	0.9
123.34342	0.3
125.09666	0.8
127.03947	0.9
131.08606	0.8
133.10135	1.5
135.11700	0.5
145.10103	0.4
147.11742	0.9
149.09660	0.4
149.13300	0.3
157.10115	0.3
159.11717	0.4
173.11816	0.3
185.04280	0.9
185.13293	0.3
203.05293	0.4
240.20973	0.3
243.08423	2.6
256.86362	0.4
259.08069	0.4
301.09097	1.2
313.08951	0.4
315.10556	0.6
351.21329	2.1
373.11276	0.4
407.23981	0.7
413.17755	0.7
465.20993	0.7
471.22144	0.4
499.21768	0.4
512.41187	0.3
525.23267	0.4
535.28693	5.1
569.29333	9.7
641.31775	0.9
655.32526	0.5
711.39801	0.4
725.40594	0.4
793.43481	0.4
863.51202	100.0
864.51428	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	864.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	13.3
65.03938	3.6
67.05505	100.0
69.03421	5.4
69.07073	7.8
71.04993	3.4
73.02908	5.0
77.03960	1.5
79.05486	26.2
81.03423	2.7
81.07050	33.6
83.04997	1.9
83.08616	11.5
85.02902	12.9
85.06535	3.5
88.06978	1.4
91.03964	8.3
91.05478	38.7
91.06057	2.3
93.07045	35.9
95.04960	6.1
95.08601	20.9
97.02891	6.1
97.06522	1.8
97.10159	3.3
98.23515	4.1
99.04488	1.9
105.07024	39.4
107.08595	22.0
109.06479	1.8
109.10155	80.0
111.08061	6.0
111.30001	1.3
115.05426	1.4
117.07006	11.3
119.08576	38.1
121.10175	12.3
123.08030	1.7
123.11728	2.3
125.09628	2.4
127.03914	4.5
128.06233	1.7
129.06973	7.3
131.08569	18.1
133.10136	32.3
135.08049	2.6
135.11694	12.1
137.09622	3.1
143.08545	6.7
145.04933	6.2
145.10158	12.9
147.11679	29.5
149.13293	7.0
155.10689	4.0
157.10112	5.5
159.11694	13.0
161.12050	2.3
161.13248	21.3
163.06035	5.3
163.11113	1.6
163.14803	1.9
171.11694	9.7
173.11728	18.3
173.13260	9.8
175.14801	5.6
179.35321	1.4
185.13260	5.4
187.14795	3.0
189.11259	2.6
194.29858	1.6
199.14906	3.2
227.12755	11.9
229.14334	84.7
231.21068	4.7
241.19490	23.5
259.20569	81.2
260.20883	2.0
261.22073	3.4
277.21494	1.5
315.23135	2.8
333.24219	53.7
369.29095	1.9
449.04684	1.6
469.33167	2.3
487.27609	2.5
487.34195	37.6
505.35275	57.8
535.28577	4.1
595.36090	3.1
613.37048	2.3
631.37494	3.2
784.98212	1.5
864.47095	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1974
Annotation	Pavetannin B 5
Peak:m/z	Relative Intensity
68.99784	1.9
70.06590	0.4
70.62296	0.4
70.62608	0.3
78.66374	0.3
85.02898	0.3
91.05464	0.7
92.63552	0.3
95.04987	0.5
107.04933	0.6
109.02858	0.4
109.37314	0.3
111.00780	1.2
111.04378	0.3
114.06135	0.3
115.05491	0.5
119.04928	0.6
121.02859	1.0
123.03527	0.5
123.04425	10.2
127.03912	4.5
131.04889	0.4
135.04396	3.5
136.20871	0.4
137.02344	8.6
137.03339	0.4
139.03896	7.4
143.04916	0.4
147.04372	2.4
149.02327	4.2
149.05980	0.4
151.03896	1.9
153.01823	2.9
155.03365	1.1
155.04710	0.3
157.06453	0.7
159.04411	0.8
161.05934	1.4
163.03889	6.8
165.05495	1.1
167.03432	0.6
169.06465	0.5
171.04413	0.8
171.16678	0.3
173.05960	1.2
175.03876	2.4
177.01851	0.4
177.05431	0.8
179.03371	0.9
179.07011	0.4
183.04349	0.5
185.05974	1.6
187.03938	1.1
189.01866	0.4
189.05455	1.9
191.03305	1.6
193.05054	0.9
197.05978	0.9
199.03891	0.6
201.05484	1.4
203.03387	4.7
203.06979	0.6
205.04929	0.9
207.06520	0.9
213.05423	3.1
215.03418	0.6
215.06940	0.3
217.04984	1.4
225.05379	0.6
227.03416	1.2
227.06960	0.4
229.04909	3.2
231.02907	0.5
231.06473	4.5
233.04478	1.0
237.05518	0.5
241.04921	2.5
242.05896	0.4
245.04437	4.6
247.05983	7.7
253.04984	0.7
255.06528	1.4
257.04428	16.9
258.05203	1.6
259.06000	8.7
260.06183	0.3
261.03934	0.4
261.07675	0.5
265.04767	0.4
269.04410	4.0
271.05917	3.1
273.07568	1.1
275.05368	1.5
281.04352	0.5
283.05954	3.8
285.03900	0.9
285.07315	0.5
286.04608	0.4
287.05484	100.0
288.05661	1.5
289.07037	3.1
293.04324	0.4
295.05917	0.6
297.03915	0.7
297.07520	0.5
299.05383	1.8
301.07031	6.1
303.08603	0.6
307.06009	0.6
309.03854	0.6
311.05618	1.3
323.05447	0.6
327.04907	0.5
349.07025	0.7
351.04984	0.5
361.06973	0.5
373.06836	0.9
377.06543	1.0
379.08054	0.5
385.06796	0.4
389.06586	1.2
391.08041	1.7
393.05844	0.7
395.07495	1.6
398.64954	0.3
403.08353	0.5
407.07556	2.1
409.09149	8.9
411.10712	4.9
413.08673	4.6
417.06070	0.5
419.07483	0.9
421.09274	0.5
425.08600	0.8
427.10278	0.7
431.07651	1.5
435.11310	0.5
437.08655	0.5
447.06918	1.0
449.08722	2.2
453.11514	0.7
455.09811	0.4
525.08002	0.9
533.10779	16.6
534.11090	0.5
539.10089	0.4
543.09155	5.7
555.09052	0.4
557.10858	2.0
561.10364	1.8
569.10638	1.1
573.10156	2.1
575.12061	1.5
638.92523	0.4
677.12250	0.8
695.02234	0.7
695.13855	11.5
696.13800	0.7
713.14996	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	865.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62460	2.7
70.06577	3.1
72.08175	0.6
83.86327	0.7
84.08188	0.8
86.09718	1.4
120.08130	0.7
148.41663	0.7
175.03670	19.4
189.05266	6.6
199.88164	0.6
205.04726	30.9
215.65704	0.7
231.83466	0.6
241.87497	0.7
243.06239	0.9
401.12418	0.8
412.14948	0.7
427.13733	1.5
437.15994	1.8
440.13788	0.9
441.15314	2.1
442.16443	1.3
455.16742	13.8
469.18344	0.9
742.27167	0.9
745.72211	0.7
865.32300	100.0
866.32434	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	867.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03395	0.3
69.65795	0.7
70.06598	1.5
72.08130	0.6
84.08115	0.3
86.09673	0.5
91.05441	0.3
93.07029	0.3
93.89935	0.3
100.62307	0.3
109.82607	0.3
111.04169	0.8
115.90015	0.3
120.08122	0.4
127.03999	0.3
152.07037	0.4
159.04167	0.6
166.22241	0.3
172.03989	0.5
174.02826	0.5
175.03661	3.5
176.04454	0.7
187.03644	0.3
187.06905	0.3
189.05223	76.4
190.05989	2.7
194.08115	0.5
202.06052	0.8
203.06793	0.7
204.06558	1.0
205.04732	9.0
207.06383	0.5
218.05389	0.3
219.06291	2.3
220.07100	0.6
226.10799	0.7
230.07887	0.8
231.06276	1.7
232.07079	0.7
234.08611	1.6
246.08607	1.2
247.09212	0.4
249.07303	0.8
250.08180	0.6
260.10107	0.5
262.08179	0.4
263.08917	0.4
273.10730	0.3
277.10452	0.4
291.11914	0.3
303.06186	0.3
338.11499	0.3
351.08548	0.3
368.12598	0.3
386.13367	0.6
411.14044	0.3
416.14474	1.6
421.39880	0.3
424.34494	0.3
426.16486	0.3
427.17526	0.7
428.14572	1.5
429.15149	2.1
439.17203	2.2
442.16306	0.5
443.16785	3.5
444.17670	2.7
457.18335	26.1
458.18671	0.6
459.16327	1.0
471.19882	4.2
473.17789	1.5
487.19379	1.6
488.20187	0.5
489.17285	0.4
605.10608	0.3
611.25189	0.4
625.22308	2.3
640.25177	1.0
641.25580	0.4
655.23792	2.1
670.25769	0.5
689.82098	0.3
867.34009	100.0
868.34418	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	869.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
67.05502	8.8
69.07069	4.7
71.05000	2.1
71.45332	0.4
79.05506	1.7
81.07055	6.5
83.05027	0.5
83.08624	2.5
91.05505	2.0
93.07050	2.3
95.04966	5.2
95.08607	5.3
97.06561	0.5
97.10177	1.0
98.98457	6.5
98.99073	0.5
105.07035	0.8
107.08611	1.2
109.10161	2.2
111.08070	0.4
112.07605	8.0
113.06004	8.7
119.08605	1.6
121.10164	1.3
123.11728	1.1
126.35783	0.6
133.10187	0.9
135.11699	0.8
137.13260	0.7
147.11734	1.0
155.01065	3.6
161.13235	0.8
173.02179	1.0
173.08060	3.0
224.12923	1.3
245.22688	1.6
263.23672	3.3
275.20267	0.6
284.14890	1.1
291.72156	0.5
308.60281	0.5
337.27341	21.1
345.15378	0.7
591.20770	0.5
603.83307	0.5
869.42889	100.0
870.43201	4.0
901.73065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72567	0.4
67.05508	8.1
69.07066	5.1
79.05498	2.9
81.07059	8.6
83.08617	2.1
91.05492	1.7
93.07042	2.9
95.04945	0.5
95.08603	6.5
97.06555	0.5
97.10176	1.5
98.98470	6.7
105.07070	1.5
107.08618	1.3
109.10174	3.0
113.09709	0.4
119.08616	1.5
121.10153	1.3
123.11734	0.9
133.10176	1.5
135.11722	0.8
137.13377	0.7
147.11748	1.2
149.13216	0.5
155.01035	4.6
161.13347	0.6
172.24641	0.4
173.02151	0.8
175.14825	0.6
207.34387	0.4
218.13683	0.4
219.68474	0.4
225.51071	0.4
245.22797	1.7
263.23718	4.4
263.26071	0.5
300.88382	0.5
337.27359	27.0
408.64520	0.4
418.11218	0.4
431.14777	0.4
625.10950	0.4
681.03320	0.4
697.32550	0.8
869.42883	100.0
870.43420	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	869.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.6
66.20177	0.6
67.05509	4.3
69.03432	2.8
69.73659	2.0
71.05025	0.6
73.02924	2.8
79.05511	1.6
79.85498	0.6
81.03424	1.3
81.07066	1.6
85.02919	4.9
87.34304	0.6
91.03944	3.1
91.05492	1.8
93.07055	1.9
97.02900	4.8
98.23405	1.0
99.04475	0.9
101.02369	1.6
105.07036	1.1
107.08612	1.0
109.02885	1.0
109.10189	2.8
119.08609	1.5
127.03911	1.3
133.10153	1.0
135.11635	0.6
136.57426	0.6
139.62863	0.6
148.02693	0.6
173.11774	0.8
185.04274	1.1
185.15437	0.6
200.25407	0.6
201.03792	0.6
203.05295	0.9
243.08377	1.4
289.56747	0.7
343.48627	0.6
347.09348	3.6
363.08908	0.9
365.10629	0.7
382.20175	0.7
405.13684	5.9
413.17780	5.3
463.14297	1.0
477.16138	0.8
486.34781	0.7
535.28864	3.7
575.23053	8.1
599.25067	0.7
630.55103	0.7
647.25244	1.7
697.34204	4.7
707.39514	1.0
869.44983	100.0
870.45642	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	874.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56145	1.1
67.05521	4.8
68.72806	1.2
69.07071	2.1
69.20042	4.1
69.20448	2.7
70.06600	2.1
72.04541	1.5
72.08156	13.5
79.05488	7.4
79.76148	1.4
81.07076	4.9
84.08134	1.9
91.05476	6.6
93.07086	4.3
95.04987	2.2
95.08612	3.9
97.06557	3.3
98.09691	27.4
99.08121	2.2
105.07022	3.3
107.08630	2.8
111.08054	1.9
117.07060	2.2
119.08591	1.6
121.02900	3.8
124.11314	2.1
131.08595	2.4
135.08090	3.7
142.12271	12.1
145.10133	2.4
147.11691	1.6
175.11263	2.4
203.03435	2.4
207.03056	1.8
245.92358	1.4
266.75131	1.4
283.06235	1.3
292.22946	3.3
294.05231	2.7
295.05957	12.5
307.06012	8.8
308.06702	3.0
309.07739	4.1
310.23804	7.3
313.07010	1.5
319.06204	1.4
321.07724	4.8
325.07101	9.8
328.24823	10.2
333.07559	2.7
335.09360	2.5
337.06921	6.4
345.07840	2.0
349.07196	4.7
351.08743	2.9
361.07208	5.4
363.08783	3.5
367.08255	3.2
373.07205	2.4
379.08313	4.3
381.09839	1.3
391.08130	12.3
403.08237	1.9
405.10400	1.4
409.09323	4.0
410.24695	1.4
421.08981	1.7
427.10449	2.1
433.09152	1.5
439.09900	1.7
445.09491	1.5
506.63696	1.5
756.17877	1.6
784.34338	1.5
838.36896	1.4
856.36957	4.1
874.38440	100.0
875.38544	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	877.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.7
67.05525	0.9
67.30894	0.4
69.42024	0.7
69.42428	2.0
70.06603	3.1
70.06952	0.4
70.60226	0.5
71.06933	0.6
81.07065	0.6
107.08578	0.6
108.65250	0.5
112.64581	0.5
113.28208	0.5
115.15820	0.5
119.08582	0.5
423.30908	0.9
424.31699	1.0
558.95886	0.5
567.26038	0.8
741.52441	0.6
859.96887	0.6
877.46991	100.0
878.47040	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	877.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	0.6
70.06603	1.9
78.75006	0.4
79.05491	0.4
81.07041	1.1
102.51773	0.5
121.10211	0.5
144.28952	0.5
150.41208	0.4
251.98607	0.5
331.15808	0.7
349.17065	0.7
567.25317	2.1
639.74890	0.5
691.24890	0.5
763.67633	0.6
877.46887	100.0
878.47522	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	878.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.8
70.06601	4.5
72.08166	1.5
82.06613	2.6
84.08173	6.5
95.04994	2.2
96.08173	4.6
98.09725	3.3
100.07684	1.6
108.08122	15.3
108.15784	1.6
110.09724	5.2
113.67380	1.5
121.02917	1.9
126.09161	27.0
128.10767	2.9
135.80496	1.5
144.10202	72.4
145.10544	2.3
146.10762	1.4
188.41336	1.8
242.60269	1.7
278.21317	3.4
294.05249	1.7
295.06226	5.7
296.22363	4.8
307.06137	4.7
309.07867	1.9
314.23129	8.2
320.99481	1.5
321.07687	2.8
325.07104	3.9
332.24307	11.4
337.07199	3.6
349.07135	3.0
351.08658	1.7
379.08255	3.7
391.08145	4.8
513.60510	1.9
570.35730	2.0
788.34741	1.9
860.36475	3.1
878.38007	100.0
879.39154	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	882.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34376	0.4
67.01852	0.4
67.04843	0.3
67.05505	1.5
69.03423	1.4
69.07066	100.0
70.07401	0.4
71.04990	0.8
71.08643	0.5
73.02912	0.7
81.03418	3.4
81.07054	1.0
83.08641	0.5
85.02900	2.8
85.06522	0.8
87.08102	19.4
95.04963	0.7
97.02885	2.5
97.06522	3.4
97.39046	0.3
99.04455	6.6
105.09135	1.8
107.08532	0.4
109.02876	10.9
110.09692	0.4
110.13570	0.4
111.04452	3.7
113.05965	0.5
115.07574	1.3
123.11703	0.6
125.02419	0.8
127.03910	35.1
128.10696	3.0
133.08636	1.8
142.33932	0.4
145.04947	4.7
147.11711	0.6
156.03093	0.4
163.06055	2.7
165.12798	0.4
169.08626	1.3
173.15370	27.5
183.18700	0.4
187.09651	1.4
195.10202	1.9
201.14909	1.3
206.31888	0.4
211.13284	0.9
219.15926	1.0
223.09712	1.0
229.14342	31.4
230.14792	0.4
231.12350	1.4
241.10696	10.7
247.15480	1.5
259.11734	3.2
267.15887	1.4
277.10208	0.4
277.12723	1.9
281.17474	0.4
285.17059	1.2
289.06064	0.4
301.16663	1.2
313.27209	1.8
337.16559	1.1
343.21100	7.5
355.17480	16.1
373.18506	5.6
391.19611	6.3
391.24210	0.5
415.23560	0.5
451.24792	0.5
469.24313	15.8
470.24438	0.5
487.25562	2.8
505.26422	6.6
523.40027	1.8
544.07965	0.4
583.31250	0.7
601.32715	0.9
603.26367	0.4
619.33038	1.3
715.39288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	1.2
70.59352	0.5
81.07059	0.6
84.55087	0.6
107.31157	0.6
148.92622	0.6
215.29971	0.6
251.12697	0.8
269.13596	5.1
281.47879	0.6
328.03534	0.8
341.15829	0.9
383.20386	13.3
395.16882	1.3
453.20993	1.0
455.22421	9.0
487.00778	0.6
509.23782	1.2
527.24677	1.2
599.28046	0.8
623.30347	1.1
641.31757	2.6
649.10394	0.6
695.15735	0.6
755.38611	1.8
773.39392	1.2
876.58588	0.8
887.46100	100.0
888.45990	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	892.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.9
67.05478	0.7
68.09267	0.6
68.99800	0.7
69.07073	0.7
69.15284	2.0
69.15712	2.7
70.06593	4.9
72.08149	1.5
77.03917	0.7
78.04705	2.0
79.05493	4.0
81.07046	1.0
83.61126	0.7
86.09703	1.8
91.05485	4.4
93.07024	1.3
95.04973	2.0
95.08606	0.8
103.05465	2.1
105.04480	0.7
105.07034	5.5
106.04166	1.1
107.04958	12.1
109.06522	1.4
115.05446	2.8
117.07021	3.1
119.04932	2.1
121.06534	4.5
123.04450	6.6
124.05215	2.5
125.05986	1.7
128.06248	0.8
129.06982	1.9
131.04942	3.4
131.05768	0.7
131.08611	1.5
132.05734	1.1
133.06493	6.0
135.04425	2.3
135.08015	1.4
136.05170	0.9
137.05971	3.4
141.06992	1.3
143.04979	0.8
144.05701	1.7
145.06479	4.7
147.04408	1.8
148.05237	1.1
149.05981	2.1
151.03954	1.3
151.07532	6.2
152.04669	1.1
152.08308	1.6
153.05432	2.4
153.06721	0.8
155.05989	1.6
156.05664	1.3
157.06439	1.0
158.07211	1.1
159.04581	0.8
159.08052	3.9
161.05975	8.7
161.09610	1.0
163.03882	4.3
163.07558	2.5
165.05498	1.4
165.09091	0.8
166.06369	0.8
167.07039	100.0
173.05988	5.2
174.06821	1.1
175.07579	1.9
177.05476	2.8
177.09085	2.2
178.06247	1.4
179.07065	3.7
181.04980	1.4
181.08623	7.8
183.06517	7.5
187.07571	3.8
189.09084	2.1
191.07043	4.8
193.08607	15.1
195.06480	2.3
197.08058	1.4
203.08673	1.1
204.07780	1.1
205.06770	1.2
205.08604	6.1
207.06398	3.3
207.08253	1.6
207.10118	1.2
209.08084	2.5
211.09549	0.8
217.08565	5.4
218.07237	1.3
219.08046	2.6
219.10167	4.4
221.09721	1.6
221.11763	0.8
223.07678	1.2
223.09613	5.9
231.08098	1.1
231.10181	1.6
233.06003	1.1
233.08057	3.2
233.11827	1.7
234.06732	1.8
235.07542	0.9
235.09692	0.9
236.08478	0.8
237.09135	1.5
237.11168	1.0
247.07469	1.7
247.09668	1.0
248.08163	1.9
248.10510	0.8
249.09024	1.9
249.11253	9.3
253.08554	0.8
260.08432	0.9
261.09030	1.7
262.09805	0.7
263.07068	0.9
263.10593	0.9
264.00650	0.8
264.07935	0.9
265.08524	2.7
267.10037	1.0
276.07776	0.8
277.08557	2.8
278.09375	1.8
279.06607	1.0
279.10132	1.5
285.11130	1.3
290.09296	0.8
291.09964	1.1
293.08157	2.3
293.11542	1.3
294.08765	1.4
295.09619	1.6
297.11264	2.6
307.09702	2.0
308.10455	1.8
309.11172	2.7
311.12827	1.1
315.08704	1.0
321.11142	2.0
323.09085	0.9
325.10660	2.3
325.14166	1.6
331.12128	0.9
336.10022	0.8
337.10678	6.0
338.11285	1.0
339.12280	2.2
341.13834	1.7
343.11719	1.0
343.15524	3.6
345.13171	1.7
353.13882	2.4
355.11511	0.8
355.15384	1.8
357.13336	7.2
359.14868	1.9
361.16458	12.1
369.13385	8.4
369.17615	0.9
371.14932	10.1
381.13547	1.0
383.14789	2.6
385.16656	6.0
387.14224	11.4
387.17981	0.9
389.15851	16.8
389.20255	1.3
399.14352	3.1
401.15933	3.5
403.17441	1.8
405.19037	2.9
417.15817	0.8
419.17068	6.5
421.18326	1.3
427.17413	1.1
429.18906	1.0
465.11887	0.7
599.24506	3.4
892.45746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52093	0.6
69.52512	0.7
70.06583	1.5
72.08137	0.4
84.08132	0.4
86.09676	0.5
98.22675	0.6
116.56944	0.2
120.08112	0.3
159.04280	0.3
175.99702	0.3
176.04391	0.9
177.05289	0.5
189.05222	6.1
203.03146	0.3
203.06836	0.6
204.03935	0.7
205.04726	55.4
207.06566	0.3
218.05580	0.5
219.06267	0.4
231.06313	0.5
232.07111	0.5
243.06299	0.9
245.07866	0.3
246.07352	0.4
249.07491	0.4
317.57159	0.3
397.12372	0.3
409.12540	0.6
411.14160	0.5
423.14328	0.3
427.13766	1.0
431.13232	0.8
437.15674	0.7
440.14255	0.3
441.15060	1.3
442.16092	1.1
445.14880	0.3
453.15308	0.3
454.15845	0.5
455.16794	12.4
459.16336	0.6
469.18399	0.9
471.16287	0.3
503.57709	0.3
653.21948	0.4
667.23785	0.4
668.24658	1.0
669.25049	0.7
681.25311	0.6
682.25464	0.3
880.31531	0.3
895.33514	100.0
896.33777	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	897.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54186	0.2
69.54512	0.7
70.06559	0.5
72.18689	0.2
86.09670	0.2
98.23448	0.4
99.76237	0.2
101.59472	0.2
111.04168	0.7
119.47614	0.2
120.08132	0.2
159.04181	0.5
174.02834	0.4
175.03664	0.5
176.04472	0.6
188.04437	0.2
189.05215	57.3
190.05989	2.5
202.05980	0.8
203.06764	1.3
205.04718	14.2
207.06279	0.4
218.05502	0.2
219.06279	3.2
230.05592	0.3
230.07639	0.3
231.06230	1.1
232.07048	0.8
233.07761	0.2
234.08609	1.6
245.07883	0.3
246.08708	0.9
247.09352	0.3
249.07295	1.0
250.08125	0.6
260.10254	0.4
262.08160	0.5
277.10272	0.2
291.11877	0.2
291.91208	0.2
368.12311	0.6
385.12524	0.2
399.17886	0.3
415.16809	0.2
416.14450	2.0
426.16794	0.3
427.17590	0.4
428.14236	1.4
429.15161	2.0
439.17264	2.9
442.15939	0.4
443.16855	2.2
444.17484	2.9
445.18234	0.5
455.16901	0.2
456.17627	0.3
457.18320	27.7
458.18982	0.5
459.15616	0.3
470.19153	0.2
471.19894	4.7
473.17770	2.5
487.19330	2.7
488.20428	0.8
489.17438	0.5
627.24054	0.2
655.23602	3.5
669.24939	0.4
670.26019	1.9
671.26624	0.4
683.26782	0.5
897.35040	100.0
898.35101	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	899.236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91398	0.6
70.84971	0.7
82.99866	1.0
87.25255	0.5
94.20354	0.5
96.08004	0.6
97.04785	0.6
101.00871	5.3
109.01408	0.6
109.02856	0.7
113.00877	1.8
117.04002	0.5
119.01914	12.8
127.02376	2.5
129.04033	0.8
131.01906	5.1
135.04997	0.6
137.02943	1.3
139.02357	0.6
141.03987	1.2
143.01895	11.2
145.03459	17.9
147.01369	0.7
147.04996	0.6
149.03043	0.8
153.03934	0.7
155.01891	6.4
157.03424	2.4
159.05032	8.2
161.02957	11.2
163.04494	3.7
167.01917	4.0
169.03459	19.2
170.03653	0.5
171.01428	1.8
171.05034	4.3
173.02965	10.2
175.04494	0.7
179.01950	1.5
179.72937	0.5
179.87103	0.6
181.03445	3.9
183.01515	0.7
183.05063	1.2
183.15248	0.4
185.02957	17.3
187.04521	30.3
189.02437	6.0
189.06157	1.0
191.04068	0.6
195.01471	0.8
197.02948	6.8
199.04529	7.1
201.02554	1.2
201.06052	0.9
203.03963	5.4
205.03532	0.6
207.03444	0.7
209.02869	0.6
210.06104	1.5
211.04535	6.3
212.85236	0.7
213.02432	8.8
213.06110	1.5
214.85060	1.7
215.00447	0.9
215.04034	3.5
217.05534	0.9
221.05177	1.7
223.04605	1.4
225.02449	2.3
227.03984	3.2
229.05605	1.8
231.03502	12.1
231.05687	0.9
239.04041	0.8
241.05847	0.9
243.03510	2.3
245.05058	27.8
246.05421	0.7
249.04651	0.5
251.02499	0.8
253.05473	0.6
255.03505	0.9
257.01416	3.5
257.05093	1.3
261.36459	0.7
263.06097	4.4
264.78192	0.5
271.06616	4.6
273.04645	1.3
275.02472	30.4
275.05954	2.0
287.02502	9.3
293.03571	7.5
293.06915	1.0
297.04529	1.0
305.03589	3.4
305.07285	1.5
315.05786	1.4
317.03650	1.1
333.06827	0.7
335.04645	3.4
335.08014	0.7
341.03674	1.6
354.22882	0.6
359.04523	3.7
365.09320	2.0
377.00763	0.6
377.01910	0.3
377.05661	15.8
395.06693	27.9
539.10699	4.6
557.11969	100.0
558.12048	3.3
917.68024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.2
67.05505	30.9
67.05852	1.2
68.05813	0.6
69.03399	1.1
69.07069	8.4
69.07684	0.6
71.04958	2.0
72.91251	0.6
73.02879	2.2
77.03873	0.7
79.05494	29.4
81.03392	2.8
81.07055	32.8
83.04987	3.3
83.08620	7.5
85.02901	3.6
85.06515	1.5
87.04475	0.6
91.03935	1.4
91.04936	1.0
91.05470	11.8
93.07041	39.6
95.04972	7.2
95.08606	42.3
96.08925	0.7
97.02909	5.0
97.06511	3.2
97.10145	2.2
99.04456	3.2
103.05435	0.7
103.92286	0.7
105.04504	1.0
105.07040	9.8
107.04961	5.9
107.08591	25.4
109.06446	2.1
109.10159	10.7
111.04424	1.0
111.08080	1.3
111.11732	0.8
113.06013	0.7
115.05423	0.7
117.07008	7.5
119.07889	0.7
119.08591	9.8
120.21268	0.5
121.06515	4.7
121.10139	16.8
123.11695	2.3
125.05982	3.2
125.09623	0.6
127.03861	0.8
130.07814	1.0
131.08549	3.0
133.10117	5.4
135.08076	1.4
135.11693	44.6
137.13199	1.2
139.07520	1.5
143.08495	0.6
145.04955	1.5
145.08969	1.2
145.10124	23.7
147.11656	1.6
149.13188	2.1
153.12685	1.2
159.11668	1.8
161.13268	1.7
163.05980	1.2
163.11182	49.2
173.13231	2.3
181.12207	8.9
187.14793	1.2
209.11697	1.4
218.23238	0.6
227.12775	61.7
243.21060	1.7
248.05775	0.7
261.22101	6.8
283.15390	100.0
317.24673	2.6
335.25793	83.8
336.26175	1.9
427.19479	0.7
543.36804	96.5
544.37238	2.6
561.37805	1.2
687.41162	0.9
705.42444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.5
67.05503	30.2
69.03381	1.6
69.07069	8.4
69.82906	1.2
71.04948	1.4
73.02866	1.8
77.03906	0.6
79.05490	27.7
80.06201	0.5
81.03376	1.5
81.07053	33.4
83.04971	2.6
83.08613	6.4
85.02886	3.2
85.06490	0.8
86.99017	0.4
91.03941	2.0
91.05474	11.8
93.07041	35.8
95.04974	5.9
95.08602	40.2
97.02893	3.7
97.06523	3.0
97.10112	1.8
99.04456	2.5
99.08067	0.5
103.05437	0.7
105.04455	1.3
105.07031	8.7
107.04954	5.4
107.08589	25.5
109.02869	0.5
109.06455	1.6
109.10153	9.9
111.04417	0.9
111.08031	1.4
113.05943	0.4
113.09604	0.7
117.06195	0.4
117.07008	6.8
119.07744	0.6
119.08568	10.8
121.06506	3.7
121.10138	16.7
123.11716	2.9
125.05948	1.3
125.09583	0.4
127.03847	0.6
127.07507	0.4
129.06985	0.6
130.07756	1.2
131.08571	3.6
133.10109	5.7
135.08008	1.6
135.11687	35.5
137.13184	0.6
139.07480	1.6
139.11165	0.6
143.08502	1.0
145.10115	20.4
147.11699	2.0
149.13257	2.7
153.12730	0.9
159.11697	2.0
161.13269	2.0
163.05988	0.7
163.11177	43.3
163.14787	1.0
164.11507	0.7
173.13235	2.1
175.14815	0.8
177.16325	0.6
179.22261	0.4
181.12233	7.8
187.14777	1.2
209.11580	0.9
227.12766	42.2
243.21037	1.7
261.22134	7.5
283.15378	51.5
284.15659	0.9
317.24716	1.5
335.25781	92.5
336.26309	2.1
336.54077	0.4
443.18536	0.4
444.20255	0.4
529.39386	0.6
543.36792	100.0
544.37177	2.3
561.37683	0.8
705.41217	0.7
902.49292	0.5
926.16583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81942	0.5
69.07077	0.5
69.67513	1.2
69.67868	1.0
73.70116	0.6
79.05531	0.6
93.07032	0.5
97.06561	1.1
98.22624	0.6
100.11260	9.5
100.11848	0.8
119.08599	0.7
122.04066	0.5
128.10773	1.9
137.21101	0.5
140.06873	1.5
154.08424	0.8
204.37059	0.5
204.39413	0.5
221.08981	0.7
261.15869	0.7
263.17508	2.0
267.16833	0.8
320.23224	0.8
334.24878	2.3
335.25906	0.7
347.85321	0.5
361.26047	0.6
366.23795	2.1
379.27087	2.3
380.25293	1.3
401.25305	0.7
433.31784	1.9
442.46783	0.6
446.51990	0.5
479.32001	2.8
487.32761	2.2
531.35168	1.4
546.32751	1.5
577.36133	0.9
586.39722	0.8
588.41107	0.9
592.41516	0.7
655.42224	0.7
676.42279	0.9
679.33368	0.7
705.49066	2.3
772.50311	0.8
830.56836	0.7
858.57300	0.8
902.59338	100.0
903.60730	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	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	1.2
67.05505	47.8
69.03438	3.3
69.07072	17.0
69.52290	1.7
69.52682	2.5
71.04996	3.8
73.02920	3.8
77.03922	1.0
79.05492	27.5
80.74499	1.0
81.03415	2.3
81.07057	80.1
83.04983	4.1
83.08620	9.6
85.02911	11.8
85.06548	5.0
91.03948	8.3
91.04462	1.2
91.05484	26.4
93.07045	33.9
95.04974	5.2
95.08604	35.0
97.02898	6.8
97.06535	6.4
97.10162	1.5
98.23447	1.9
99.08076	3.3
105.06348	1.9
105.07027	30.8
107.08591	23.1
109.06496	3.6
109.10156	12.6
111.08073	2.5
113.05977	1.6
117.07021	3.5
119.08585	23.5
121.10149	23.6
123.08052	3.0
123.11703	27.2
127.03945	2.8
127.07526	1.4
129.07024	1.6
129.33731	1.0
131.08604	6.8
133.10127	7.1
135.11691	8.3
137.09599	1.3
137.13251	2.6
145.04938	3.2
145.10124	4.7
147.11685	53.8
149.13257	4.3
157.10158	2.4
159.11681	2.7
161.13228	2.8
163.06001	1.6
163.14833	1.5
165.12752	18.9
172.35602	1.1
173.13260	3.6
175.11214	1.7
175.14931	1.5
183.13795	1.6
187.14784	1.3
193.12268	1.5
197.21646	1.2
229.14310	5.1
243.21059	5.5
261.22150	16.7
267.15906	65.3
279.23154	2.8
285.16962	61.9
317.24667	2.8
335.25790	100.0
336.26273	1.9
368.93179	1.2
453.33606	1.1
471.34607	1.9
495.09494	1.3
527.37366	9.8
534.17303	1.1
545.38367	81.7
546.37891	1.3
563.39355	5.1
612.34119	1.3
625.13531	1.1
684.19739	1.2
829.56671	1.2
904.48975	1.7
905.46271	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	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	1.2
67.05505	47.8
69.03438	3.3
69.07072	17.0
69.52290	1.7
69.52682	2.5
71.04996	3.8
73.02920	3.8
77.03922	1.0
79.05492	27.5
80.74499	1.0
81.03415	2.3
81.07057	80.1
83.04983	4.1
83.08620	9.6
85.02911	11.8
85.06548	5.0
91.03948	8.3
91.04462	1.2
91.05484	26.4
93.07045	33.9
95.04974	5.2
95.08604	35.0
97.02898	6.8
97.06535	6.4
97.10162	1.5
98.23447	1.9
99.08076	3.3
105.06348	1.9
105.07027	30.8
107.08591	23.1
109.06496	3.6
109.10156	12.6
111.08073	2.5
113.05977	1.6
117.07021	3.5
119.08585	23.5
121.10149	23.6
123.08052	3.0
123.11703	27.2
127.03945	2.8
127.07526	1.4
129.07024	1.6
129.33731	1.0
131.08604	6.8
133.10127	7.1
135.11691	8.3
137.09599	1.3
137.13251	2.6
145.04938	3.2
145.10124	4.7
147.11685	53.8
149.13257	4.3
157.10158	2.4
159.11681	2.7
161.13228	2.8
163.06001	1.6
163.14833	1.5
165.12752	18.9
172.35602	1.1
173.13260	3.6
175.11214	1.7
175.14931	1.5
183.13795	1.6
187.14784	1.3
193.12268	1.5
197.21646	1.2
229.14310	5.1
243.21059	5.5
261.22150	16.7
267.15906	65.3
279.23154	2.8
285.16962	61.9
317.24667	2.8
335.25790	100.0
336.26273	1.9
368.93179	1.2
453.33606	1.1
471.34607	1.9
495.09494	1.3
527.37366	9.8
534.17303	1.1
545.38367	81.7
546.37891	1.3
563.39355	5.1
612.34119	1.3
625.13531	1.1
684.19739	1.2
829.56671	1.2
904.48975	1.7
905.46271	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	907.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.3
69.03435	2.2
69.07069	0.8
71.01363	0.4
71.05003	0.7
73.02914	2.7
79.05495	2.2
81.03426	1.3
81.07057	2.3
83.04997	0.4
83.08630	0.4
85.02908	3.7
85.03406	0.2
91.03951	1.7
91.05516	1.0
93.07043	2.4
95.04972	0.3
95.08611	2.2
97.02895	3.6
97.06553	0.3
99.04474	0.8
101.02375	1.3
105.04525	0.2
105.07059	0.9
107.08607	1.6
109.02893	0.5
109.10168	0.5
109.93757	0.3
117.07049	0.6
119.08612	0.8
120.27405	0.2
121.10190	1.0
127.03924	1.0
133.10190	0.4
135.11688	2.3
135.12482	0.2
139.33522	0.2
145.05003	0.3
145.10101	1.7
147.11674	0.2
163.11182	2.7
181.12245	0.4
185.04301	0.6
203.05322	0.6
219.09991	0.3
227.12796	2.4
243.08391	1.1
249.10997	4.3
251.24052	0.2
251.26892	0.3
305.13626	1.6
335.26056	0.7
347.09470	3.1
358.52127	0.2
363.09192	0.5
365.10709	1.1
405.13675	5.2
405.18768	0.3
437.66330	0.3
446.48608	0.3
467.18909	7.9
473.20209	0.3
519.29395	4.0
530.39319	0.3
583.35931	0.4
629.24139	6.7
630.24487	0.4
639.73889	0.3
663.00006	0.2
681.34625	4.5
681.45410	0.4
717.67749	0.3
745.41412	1.6
853.60449	0.3
907.46552	100.0
908.46667	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	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.2
67.05506	3.3
69.03426	2.8
69.07076	0.7
71.01365	0.5
71.04999	0.4
73.02917	3.4
75.04513	0.2
79.05495	2.6
80.78043	0.2
81.03422	1.4
81.07052	3.8
81.07497	0.3
83.05007	0.4
83.07815	0.2
83.08617	0.5
85.02906	5.4
87.04493	0.3
91.03954	2.8
91.05475	1.7
93.07044	3.1
93.07608	0.3
95.04975	0.9
95.08611	2.9
97.02893	5.3
97.06520	0.4
97.10177	0.3
98.22716	0.7
99.04447	0.9
101.02374	1.3
103.03983	0.3
105.04536	0.3
105.07034	1.0
107.08580	1.7
107.09122	0.2
109.02893	0.7
109.10131	1.0
115.03944	0.4
117.07022	0.5
119.08617	0.5
121.06487	0.2
121.10116	1.3
121.27971	0.2
123.11698	0.3
127.03938	1.5
131.08604	0.6
133.10141	0.4
135.11703	1.6
136.60332	0.2
145.04947	0.3
145.10123	1.1
147.11679	0.3
149.13281	0.4
154.51018	0.2
159.11739	0.3
163.11142	1.2
181.12241	0.2
185.04260	0.9
195.13994	0.2
196.47661	0.2
203.05325	0.7
227.12767	1.2
238.22066	0.2
243.08333	1.5
249.10947	5.5
255.02887	0.2
259.08078	0.3
269.17511	0.4
271.19250	0.2
287.18649	0.4
305.13513	1.1
335.25821	0.9
336.26218	0.6
347.09485	2.8
347.13419	0.3
363.09177	0.6
365.10751	1.0
405.13644	6.1
405.18716	0.4
448.11942	0.2
467.18890	3.7
503.37335	0.4
504.37384	0.9
519.29291	5.1
529.39130	0.4
530.39368	0.7
547.40118	0.2
548.40515	0.7
583.36371	0.3
629.24060	3.2
681.34528	8.2
714.78046	0.2
745.40582	1.6
814.83411	0.3
907.46527	100.0
908.46771	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	908.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72122	1.0
67.05728	1.0
69.03442	2.9
69.54399	4.6
80.05032	1.4
81.03418	2.5
82.06587	25.8
83.06094	1.0
84.04504	20.7
84.08147	5.6
96.04505	16.1
97.02881	2.4
98.06067	5.3
98.23422	1.2
99.04480	1.8
102.05576	3.9
107.57965	1.2
109.02895	4.8
110.06051	2.4
114.05580	2.1
116.07117	7.4
126.05520	25.5
127.03907	2.0
128.07080	95.9
129.06624	1.5
130.05026	3.3
138.05507	100.0
140.07077	2.6
144.06561	25.3
145.09737	4.3
147.07634	1.4
152.07098	1.4
157.09767	1.1
163.16702	1.1
168.06581	19.8
173.09232	75.6
185.09229	22.2
186.07600	15.3
190.07942	1.2
193.09749	3.8
193.90073	1.1
204.08649	9.5
211.10826	1.3
213.08751	1.7
215.66605	1.1
230.11394	4.5
235.10719	1.2
239.10266	19.9
245.16740	1.1
248.12430	24.9
257.11328	1.6
258.09860	1.7
268.12891	1.6
284.12402	3.7
301.13910	8.1
302.13477	35.6
314.13480	2.2
329.13443	7.8
359.15601	1.5
377.16708	25.1
379.17542	1.2
445.19366	7.6
496.19229	3.1
520.22455	18.2
532.21332	3.1
630.25842	10.2
687.28345	2.1
705.29401	66.3
706.29486	1.9
807.64960	1.3
908.19257	1.4
908.37280	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	909.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	2.2
69.03432	2.6
69.07078	0.8
70.06631	0.3
71.01360	0.6
71.04974	0.4
73.02917	3.5
78.07493	0.4
79.05508	2.0
81.03415	1.7
81.07055	3.3
85.02908	5.0
87.04483	0.4
91.03961	3.1
91.05495	1.4
93.07040	2.1
95.04978	0.7
95.08631	1.4
97.02891	4.5
97.03474	0.3
97.06551	0.6
99.04467	0.8
100.16798	0.3
101.01785	0.4
101.51802	0.3
105.07064	1.6
107.08617	0.9
109.02933	0.7
109.10161	0.4
119.08624	0.9
120.92589	0.3
121.10188	1.1
123.11765	0.9
127.03959	1.1
131.08577	0.4
145.10138	0.4
147.11713	2.0
165.12794	0.7
185.04286	0.8
203.05344	1.2
243.08502	1.0
251.12691	0.7
259.07892	0.5
284.49374	0.3
307.15277	0.5
347.09470	4.1
365.10486	2.1
380.62543	0.4
405.13602	4.2
421.13104	0.3
469.20432	9.3
519.29388	3.9
631.25677	6.1
681.34631	5.8
720.06860	0.4
739.36304	1.6
747.42853	1.4
830.53064	0.4
909.48102	100.0
910.48132	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	913.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98477	0.6
70.06595	4.8
71.44833	0.6
72.08170	1.1
76.55167	0.7
84.08174	1.4
84.25668	0.6
86.09712	1.6
129.10243	0.7
283.55234	0.8
385.47406	0.8
625.03717	0.7
686.23248	1.6
881.31769	0.8
913.32446	100.0
914.32764	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	919.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64740	3.2
85.83467	2.6
91.05489	2.6
94.04195	4.3
95.71987	2.5
109.06479	2.6
115.05444	3.3
121.02868	10.8
122.03645	7.4
128.20992	2.9
137.05980	99.9
146.03632	3.0
147.04332	3.5
151.03889	5.9
158.03688	3.5
161.05991	8.9
162.06754	5.9
173.05977	9.9
186.03230	4.6
189.06969	4.0
199.07600	3.8
201.05466	66.0
201.07297	4.0
203.03271	2.9
203.08540	2.9
205.06535	6.8
206.07184	4.5
213.05463	7.2
215.06880	3.1
231.06467	7.4
233.06007	9.1
234.06796	27.0
235.07520	7.1
237.09023	3.8
245.05971	7.5
246.06842	4.3
248.08391	4.5
249.09123	12.3
250.06274	4.8
251.06979	6.4
259.07581	6.3
261.05487	7.2
262.06274	29.0
263.07010	9.6
264.07764	4.5
265.08661	13.9
267.06512	3.3
272.57751	2.4
273.05475	8.5
274.06284	5.6
275.06882	3.0
276.07794	5.5
277.08618	32.2
279.06503	5.3
280.07281	4.7
283.06088	19.4
283.09033	4.2
287.07034	8.1
290.05716	54.8
291.06592	4.3
291.10132	5.6
292.07330	7.7
293.07980	12.6
294.05307	4.2
294.08777	8.8
295.05969	15.6
295.09583	6.9
305.08063	84.8
306.08569	4.0
307.05966	17.6
307.09662	18.1
308.06604	2.9
309.07556	9.9
309.10925	5.6
313.06958	12.5
319.09634	7.6
321.07501	13.0
322.08249	9.3
325.07043	5.5
325.10681	24.7
333.07596	7.0
337.07043	14.7
337.10669	100.0
345.07297	3.9
347.09174	3.7
349.06827	12.5
349.10712	4.4
351.08612	3.7
353.81180	3.0
355.11804	24.2
361.06897	6.1
361.10916	3.5
365.10275	4.3
367.07996	10.3
367.11789	8.4
375.08875	4.5
379.08121	6.5
385.08990	5.2
391.07910	6.0
409.09061	4.6
487.16025	12.9
511.12271	3.8
517.16980	18.6
661.17188	6.6
703.17291	3.1
715.17773	3.7
733.19415	12.4
745.17511	3.8
751.19586	5.4
763.19781	6.0
769.21820	13.0
781.20892	15.1
799.08875	3.1
799.22180	30.8
823.22205	20.2
835.22235	5.9
853.23352	45.1
871.23651	7.7
883.23932	7.8
901.23938	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	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.7
67.05504	47.4
69.03436	3.0
69.07063	11.1
69.30723	3.2
69.31123	3.2
70.06584	2.5
71.04999	4.3
72.24241	1.2
73.02927	5.1
79.05489	42.1
81.03413	10.8
81.07056	48.4
83.04981	14.5
83.08617	5.5
85.02896	18.6
85.06544	4.3
85.26308	1.2
91.03961	11.1
91.05476	27.1
93.07040	45.3
95.01344	1.8
95.04959	14.1
95.08597	30.0
97.02891	7.7
97.06518	10.7
97.10155	2.4
99.04459	4.1
101.83714	1.2
105.04510	2.6
105.07028	16.7
107.04951	21.4
107.08593	31.0
109.02874	1.9
109.06534	4.8
109.10165	14.6
111.04436	23.2
111.08086	9.0
117.07029	15.2
119.08573	17.1
121.06492	4.2
121.10139	35.5
123.04425	1.8
123.08053	2.7
123.11713	5.6
125.05998	2.8
127.03951	4.4
129.07004	4.3
130.07791	1.9
131.08559	16.7
133.09227	1.5
133.10110	7.8
135.08115	1.9
135.11684	32.4
135.12645	2.4
137.13165	1.4
139.11159	1.2
143.08568	3.0
145.04971	4.6
145.06477	4.7
145.10123	32.6
147.08092	2.7
147.11691	8.7
149.09618	6.5
149.13255	4.3
153.12726	11.3
155.08594	7.1
157.10204	1.7
159.11693	2.6
161.13258	3.8
163.06042	4.8
163.11188	34.6
163.14859	1.6
173.09612	23.6
173.11101	1.6
173.13222	3.2
181.12209	17.1
187.14822	2.2
191.10651	17.4
197.13274	1.6
209.11690	7.9
227.12761	17.3
243.21095	3.8
258.48837	1.3
259.20535	2.2
261.22110	17.6
262.18127	4.0
265.14337	46.4
267.15964	2.2
277.97885	1.3
279.23251	2.7
281.13776	2.7
283.12140	2.0
283.15393	88.6
301.16446	100.0
302.16635	1.5
317.24670	2.4
335.25815	54.8
370.53531	1.3
423.32632	1.6
451.32288	2.1
469.33032	5.3
515.37402	12.5
525.35840	20.2
543.36804	55.9
561.37866	62.1
579.38794	5.5
776.49860	1.4
920.52942	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	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.7
67.05504	47.4
69.03436	3.0
69.07063	11.1
69.30723	3.2
69.31123	3.2
70.06584	2.5
71.04999	4.3
72.24241	1.2
73.02927	5.1
79.05489	42.1
81.03413	10.8
81.07056	48.4
83.04981	14.5
83.08617	5.5
85.02896	18.6
85.06544	4.3
85.26308	1.2
91.03961	11.1
91.05476	27.1
93.07040	45.3
95.01344	1.8
95.04959	14.1
95.08597	30.0
97.02891	7.7
97.06518	10.7
97.10155	2.4
99.04459	4.1
101.83714	1.2
105.04510	2.6
105.07028	16.7
107.04951	21.4
107.08593	31.0
109.02874	1.9
109.06534	4.8
109.10165	14.6
111.04436	23.2
111.08086	9.0
117.07029	15.2
119.08573	17.1
121.06492	4.2
121.10139	35.5
123.04425	1.8
123.08053	2.7
123.11713	5.6
125.05998	2.8
127.03951	4.4
129.07004	4.3
130.07791	1.9
131.08559	16.7
133.09227	1.5
133.10110	7.8
135.08115	1.9
135.11684	32.4
135.12645	2.4
137.13165	1.4
139.11159	1.2
143.08568	3.0
145.04971	4.6
145.06477	4.7
145.10123	32.6
147.08092	2.7
147.11691	8.7
149.09618	6.5
149.13255	4.3
153.12726	11.3
155.08594	7.1
157.10204	1.7
159.11693	2.6
161.13258	3.8
163.06042	4.8
163.11188	34.6
163.14859	1.6
173.09612	23.6
173.11101	1.6
173.13222	3.2
181.12209	17.1
187.14822	2.2
191.10651	17.4
197.13274	1.6
209.11690	7.9
227.12761	17.3
243.21095	3.8
258.48837	1.3
259.20535	2.2
261.22110	17.6
262.18127	4.0
265.14337	46.4
267.15964	2.2
277.97885	1.3
279.23251	2.7
281.13776	2.7
283.12140	2.0
283.15393	88.6
301.16446	100.0
302.16635	1.5
317.24670	2.4
335.25815	54.8
370.53531	1.3
423.32632	1.6
451.32288	2.1
469.33032	5.3
515.37402	12.5
525.35840	20.2
543.36804	55.9
561.37866	62.1
579.38794	5.5
776.49860	1.4
920.52942	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	920.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05450	1.0
69.03408	0.3
70.00027	0.6
70.00345	0.3
73.02884	0.3
78.00466	0.3
79.05456	0.8
81.03388	0.3
81.07008	0.9
85.02821	0.4
91.05431	0.8
93.07013	0.6
95.08588	0.4
97.02820	0.4
99.87980	0.3
105.06986	0.6
107.08517	0.3
119.08528	0.5
132.08089	4.0
133.08873	14.1
133.09897	0.5
134.09586	1.0
146.09647	4.2
147.10391	0.6
147.11633	0.6
160.11154	0.6
165.33015	0.2
174.12659	0.4
188.14221	0.4
202.15834	0.4
216.17477	0.3
232.16936	1.3
244.16797	1.3
252.76665	0.3
262.18011	100.0
263.18304	1.0
266.06003	0.3
269.17590	0.5
272.19962	0.3
275.20032	0.4
302.21152	3.4
318.20599	4.3
480.26083	2.3
543.36542	0.7
561.37592	0.9
596.43555	2.0
642.31256	3.4
653.03632	0.3
758.48322	5.4
804.79474	0.3
835.58716	0.3
868.51971	0.3
910.00830	0.3
920.53607	78.8
921.54370	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	920.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.3
69.07065	1.4
70.06584	1.0
73.02885	0.2
79.05460	0.5
81.07045	1.1
83.08545	0.3
85.02854	0.3
91.05416	0.6
93.07058	1.1
95.04902	1.0
95.08553	0.7
96.12678	0.2
97.02896	0.3
97.06474	0.3
105.06996	0.5
107.08524	0.5
109.10098	0.3
112.07602	13.5
112.39230	0.2
113.05957	0.5
117.86063	0.2
118.06483	0.5
119.06239	0.2
119.08559	0.5
121.10134	0.3
132.07137	0.4
132.08081	5.3
133.08868	19.0
134.09659	1.4
135.11642	0.3
145.10091	0.3
146.09630	4.8
147.10326	0.6
147.11586	0.3
149.13216	0.3
160.11137	0.7
163.11044	0.2
172.09688	3.1
202.15837	0.3
216.17422	0.3
227.12698	0.4
232.16968	2.3
244.16905	1.9
260.20102	0.4
262.18008	100.0
263.18347	0.6
269.17548	0.5
272.20050	0.3
275.20004	0.3
285.16818	0.3
288.19580	0.4
302.21176	1.6
302.49814	0.3
318.20615	4.4
344.17007	0.6
463.30386	0.5
480.25931	1.7
543.36743	1.2
561.37524	0.4
596.43243	2.0
642.31177	2.9
653.30920	0.3
758.48285	5.3
862.41846	0.4
911.78784	0.3
920.53601	77.8
921.53760	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.7
67.05505	45.2
68.50771	0.8
69.03419	2.2
69.07072	9.2
69.22448	3.4
71.04991	13.3
72.66938	0.8
73.02924	3.3
73.06558	0.8
79.05495	27.8
81.03406	1.5
81.07057	73.0
83.04982	2.8
83.08618	5.9
85.02909	10.2
85.06539	4.9
91.03960	5.2
91.05481	21.3
93.06457	1.3
93.07046	28.0
95.04977	3.1
95.08607	21.1
96.18615	0.7
97.02908	5.1
97.06548	2.2
97.10162	1.8
98.23421	1.7
99.04441	0.8
99.08099	1.5
105.04492	0.7
105.07027	12.4
107.08591	18.1
109.06512	1.6
109.10161	9.7
111.08066	1.1
117.07001	3.9
119.08601	6.5
121.10148	12.3
123.11698	11.7
127.03938	2.4
129.07005	0.9
131.08551	6.8
133.10135	15.5
135.11690	8.7
143.08693	1.1
145.04971	2.6
145.10149	3.6
147.11732	3.2
149.13216	4.9
151.11217	4.7
159.11664	4.1
161.13376	1.8
163.06068	2.9
163.14882	1.2
169.12328	0.9
173.13281	2.4
175.14906	1.0
177.12819	1.7
183.13927	1.3
187.13307	3.0
201.16364	0.9
209.32185	0.7
227.16405	0.8
257.17511	0.8
261.22086	1.7
269.17471	5.5
301.20114	10.2
335.25793	21.1
411.33051	0.8
445.24219	1.1
485.36047	2.2
503.37305	71.0
504.37573	1.6
517.38873	2.2
529.38861	14.7
547.40411	1.1
561.41498	100.0
562.41644	2.6
595.82562	0.8
705.44775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.7
69.03434	2.6
69.07076	0.5
71.05009	2.2
73.02934	3.2
79.05517	0.9
81.03436	1.4
81.07043	3.4
85.02887	3.6
85.06584	0.6
91.03992	2.3
91.05495	1.3
93.07078	1.9
95.08636	1.3
97.02899	4.8
97.06586	0.6
101.02408	1.6
107.08636	1.1
109.02912	0.7
109.06568	0.6
109.10172	0.7
122.21681	0.7
127.03973	1.3
131.08638	0.8
133.10149	0.8
149.13338	0.6
185.04286	1.1
191.09203	0.6
203.05377	0.6
243.08646	1.1
301.20468	0.6
347.09641	2.4
359.14713	0.6
363.09076	0.7
365.10886	0.9
405.13620	5.0
485.23679	5.0
519.29633	2.3
647.28516	6.2
681.34729	3.5
763.46893	0.7
925.51251	100.0
926.51678	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	936.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.7
69.07065	2.9
69.29612	0.8
69.30019	1.5
70.06587	1.2
71.04950	0.5
71.08267	0.7
71.08631	9.9
74.28160	0.3
76.86875	0.4
79.05479	3.4
81.03419	5.2
81.07052	8.7
83.05005	0.4
83.08621	5.0
85.02888	0.8
85.10176	5.4
89.02079	0.4
89.06036	0.5
91.03923	0.5
91.05453	2.5
93.07039	4.0
95.04973	2.0
95.08604	9.9
97.06504	0.5
97.10144	2.0
98.98464	3.8
102.66347	0.4
105.07009	1.2
107.04996	0.6
107.08584	1.2
109.10153	5.1
111.08052	0.8
111.11682	0.5
112.04593	0.4
117.07020	0.8
119.08580	1.8
121.10128	1.1
123.11713	1.5
124.01614	1.5
125.09650	0.5
129.06995	0.8
131.08589	0.6
133.10115	0.9
135.11679	1.2
137.13243	1.0
142.02592	1.0
145.10110	0.8
147.11755	1.0
149.09642	0.6
149.13177	0.6
155.01050	5.0
157.10091	1.0
159.11714	0.7
161.13336	0.6
173.02124	0.6
173.13271	0.7
175.11243	0.5
193.12212	1.5
198.05257	1.6
216.06361	2.6
227.12891	0.4
228.43849	0.4
239.23656	2.0
257.24722	1.1
261.22104	1.3
267.15909	5.0
282.27921	10.2
313.27347	100.0
314.27652	0.5
320.06265	0.4
335.25812	6.1
393.24014	8.4
421.25873	0.4
436.28220	31.2
453.33069	0.5
454.29263	40.0
455.29437	0.6
527.37256	5.3
533.26556	0.5
545.38336	6.0
892.53174	0.5
936.46484	1.6
937.46320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6242
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05461	0.9
71.07372	4.5
71.08626	1.6
75.83348	0.7
78.20605	0.7
86.09703	45.1
98.98477	2.3
104.10740	99.2
125.00004	25.6
125.00933	0.9
135.88179	0.7
144.42674	0.7
146.63457	0.7
146.71382	0.7
167.99095	0.7
169.90018	0.7
176.24928	0.8
181.89896	0.8
184.07333	95.0
236.50356	0.8
258.10925	1.0
313.27243	2.4
402.26682	0.7
419.25589	1.3
421.69586	0.8
428.03751	0.7
478.32831	8.0
496.33969	100.0
497.34329	0.9
518.32227	1.2
579.30872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	57.0
69.03438	1.8
69.07078	14.7
69.26878	1.0
70.84075	1.3
70.84405	1.4
71.05010	2.5
73.02920	4.4
79.05498	33.6
81.07061	56.4
83.04976	2.5
83.08627	8.1
85.02908	20.7
85.06557	1.7
91.03969	15.5
91.04925	1.8
91.05482	19.5
93.07048	40.7
93.07500	1.5
95.04976	4.4
95.08614	43.8
97.02897	10.4
97.06540	2.8
97.10153	2.4
105.04530	1.7
105.07033	16.6
107.03049	1.1
107.08595	27.6
109.06579	1.5
109.10159	22.5
111.08102	1.3
117.06306	1.1
117.07007	6.8
119.08591	16.5
121.10151	24.8
123.11717	11.1
125.09603	1.8
127.03916	6.2
131.08566	13.2
133.10120	15.8
135.11691	16.9
137.09575	1.3
137.13263	3.1
139.11180	1.1
143.08533	1.6
145.04930	6.1
145.10114	9.8
147.11703	10.4
149.13255	9.3
157.10155	1.7
159.11662	9.5
161.13274	8.5
163.06018	9.1
163.14830	4.0
171.11711	2.5
173.13274	8.2
175.14827	3.3
177.16432	1.9
179.14363	1.0
185.13245	3.1
187.14865	3.6
189.16396	1.1
197.13412	1.1
201.16435	2.1
213.16501	1.4
241.19502	3.7
243.21135	5.4
259.20569	11.6
261.22159	18.2
317.24796	4.0
333.24210	9.1
335.25815	100.0
337.27377	14.5
420.24640	1.1
469.04657	1.1
475.34064	1.6
503.37000	1.4
521.43567	2.5
539.44257	1.4
595.38654	1.8
595.47211	16.9
613.48273	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	955.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34232	2.6
70.02960	1.2
70.06590	96.5
70.21191	0.4
70.40039	0.4
72.08155	23.6
84.04493	8.5
84.04938	0.7
84.08143	1.4
85.02901	0.7
86.09705	54.0
88.03992	6.6
90.05530	2.6
95.04997	0.5
97.02875	0.5
98.09693	6.4
100.07621	0.9
102.05531	9.4
109.02831	0.6
110.06055	1.1
112.07593	0.6
112.11238	6.9
114.05541	0.6
115.08707	1.8
115.24075	0.5
120.08131	0.9
122.32575	0.5
128.07111	0.7
129.10257	0.5
130.05046	1.1
136.03978	0.5
136.22882	0.6
140.14351	1.9
141.06589	0.7
141.10214	1.6
143.08138	1.3
143.11801	8.6
153.06618	1.1
154.04926	0.6
155.08145	3.9
157.06111	1.4
157.13364	27.4
159.07758	0.8
161.09209	4.4
167.08176	0.5
169.09721	1.9
169.13359	52.5
171.11276	10.0
172.05995	0.8
173.09224	4.3
181.06081	5.3
183.07675	2.9
183.11278	2.3
183.14917	7.0
185.05592	4.5
185.12863	11.5
187.07231	0.7
197.12846	32.2
199.07161	2.9
201.08696	9.5
201.12340	4.0
211.07120	1.7
211.10728	1.1
211.14479	1.9
211.18027	4.3
217.08188	17.1
223.14345	0.5
227.06705	1.1
227.10303	0.9
227.13927	1.3
228.05051	0.8
229.08476	0.6
229.11835	9.1
235.07137	0.5
239.06744	0.6
239.10281	0.6
239.17674	1.1
240.13603	0.8
242.15038	1.9
245.07683	29.7
251.13947	1.0
252.09785	0.6
254.15082	1.2
255.13455	1.7
256.09259	5.5
260.16003	1.0
268.16599	8.3
270.10825	1.4
270.14392	0.6
271.09247	1.3
272.12665	0.6
280.09167	0.9
281.07785	0.6
282.14474	2.7
282.17310	0.5
285.14389	0.9
288.11734	0.5
296.19666	1.0
298.10416	3.6
299.08655	1.0
300.12183	0.7
300.15475	12.8
313.13889	1.2
316.11389	26.3
325.18503	0.6
326.17133	2.1
339.20276	1.8
340.15115	0.5
353.18298	2.4
354.20276	1.9
355.23526	1.2
357.21307	100.0
358.16171	2.6
358.21591	1.6
366.16763	1.7
368.14484	0.9
371.19196	2.3
381.25528	0.6
383.19473	0.9
384.17484	1.6
387.14944	3.5
387.19070	0.5
399.22437	2.4
401.20328	0.6
411.18622	1.6
415.18103	4.0
429.19693	4.2
438.27127	1.0
452.24911	4.0
455.20895	0.7
456.28214	7.2
457.19434	0.5
466.26422	1.7
468.20612	1.5
470.26419	1.2
472.24103	1.5
482.22604	2.1
483.24512	2.8
484.27570	1.6
486.21909	14.1
496.27698	0.9
500.23492	22.4
510.25452	1.3
528.26794	2.5
553.29803	1.0
554.28223	4.8
567.31506	0.7
571.30817	9.7
581.29456	6.5
599.30334	46.6
600.31110	1.0
670.33960	1.1
696.35638	3.0
767.38995	2.4
795.42371	5.7
866.46143	6.1
955.51007	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	962.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.5
68.04994	0.3
69.03426	2.5
69.07061	0.8
69.56770	0.4
70.06586	1.2
71.01307	0.2
71.04965	0.2
73.02912	1.1
78.51568	0.1
79.05500	0.6
80.04978	0.2
81.03437	0.6
81.07058	0.6
82.06565	0.9
83.07359	0.8
83.08571	0.3
84.08101	0.4
85.02900	3.1
86.09647	0.1
91.03954	0.1
91.05449	0.1
93.07059	0.5
94.06565	1.2
95.04913	0.1
95.07349	0.1
95.08544	0.4
96.08130	2.5
97.02361	0.1
97.02886	1.4
97.08906	0.2
98.06020	0.2
98.09649	0.4
99.04411	0.3
99.47279	0.1
100.07600	0.1
100.11247	1.3
101.02360	0.2
103.03862	0.1
105.06985	0.3
107.07358	0.2
107.08553	0.3
108.08102	0.7
109.02886	0.7
109.08902	0.7
109.10103	0.1
110.09676	1.6
111.04394	0.3
112.07587	1.5
114.09106	0.1
120.08044	0.2
121.10133	0.1
122.08829	0.2
122.09658	2.5
123.04427	3.6
123.10415	0.2
124.11172	0.2
126.09111	0.3
127.03891	0.9
127.09930	7.2
128.10641	0.2
130.01416	0.1
135.11644	0.1
136.11159	0.3
137.05898	0.2
139.08603	0.1
140.10693	6.3
141.11452	0.2
145.04898	0.2
147.04459	0.1
149.05951	0.3
150.12756	0.3
152.14305	0.2
154.12195	0.4
161.05931	0.1
162.12793	0.1
163.07492	0.3
164.14343	0.2
182.15387	0.8
192.17476	0.2
196.16992	0.2
206.19043	2.3
209.16501	0.8
210.14827	0.6
210.18526	0.3
220.20560	0.1
224.20081	5.3
226.19046	0.3
263.32263	0.1
276.66327	0.1
288.19846	0.2
290.21301	0.6
312.23117	0.2
314.21045	0.7
318.20593	0.1
326.28326	0.1
328.22702	2.7
329.23221	0.1
330.24249	20.0
331.24536	0.2
336.22870	0.2
346.23764	0.2
347.24411	0.8
348.25299	51.3
349.25665	0.6
354.24063	0.1
372.25278	0.4
390.26538	1.0
435.33206	0.4
453.34311	5.6
492.29788	0.4
510.30594	100.0
511.30850	1.4
616.71930	0.1
924.35284	0.1
933.24829	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.1
69.03436	1.3
69.78925	2.6
70.06602	2.9
79.05501	1.8
81.98357	0.9
82.06600	1.3
85.02915	1.9
86.09692	0.9
91.05502	2.1
93.07067	3.6
94.06572	3.1
95.04977	1.3
95.07362	3.0
95.08626	0.8
96.08108	6.8
97.02905	1.2
106.06624	1.1
107.07285	1.0
108.04496	1.6
108.08122	5.3
110.09682	11.7
120.08103	9.2
122.06055	5.0
122.09702	2.8
124.07564	0.9
127.03936	1.2
134.06038	1.0
136.07619	3.9
138.09148	18.4
138.10167	1.5
148.07588	3.9
150.09218	1.3
160.04021	0.9
166.08644	21.7
172.03900	1.1
172.07625	1.0
174.09154	2.8
185.07153	1.0
187.08780	1.4
188.09499	1.0
190.05046	1.4
196.07559	0.9
197.07079	1.0
198.11523	0.9
199.08672	5.4
204.06606	1.6
210.07878	1.1
211.08676	4.6
212.07228	0.9
212.09224	1.7
213.06621	3.3
213.10056	1.4
225.06645	1.6
225.10193	5.4
226.11095	1.5
227.08145	2.8
227.11826	3.1
235.08665	1.4
236.09532	1.1
237.10254	5.4
239.08189	2.4
239.11861	2.4
241.09676	1.3
241.13414	2.5
249.10269	6.9
250.10851	1.8
251.08208	3.0
251.11821	6.3
253.09743	2.8
253.13477	1.0
255.11472	1.4
257.12646	1.1
261.10251	1.6
263.08279	1.5
263.11783	2.5
265.09750	2.5
267.11252	5.3
269.09280	1.2
269.12930	3.0
270.09973	1.7
271.10855	1.6
277.09763	3.5
279.11380	4.7
281.09448	1.3
283.10876	3.1
284.11621	1.9
285.12271	6.0
286.13263	1.2
287.14093	1.5
291.11295	1.7
293.09134	2.5
293.12564	0.8
295.10843	2.7
297.12506	1.7
305.09100	2.1
309.12616	1.3
311.10590	1.2
312.15115	0.9
313.12308	1.2
314.12851	2.0
315.14114	1.0
316.14520	1.3
323.10291	4.0
323.13773	1.3
326.13062	1.7
327.13721	3.4
327.17343	1.0
328.14566	3.9
329.11707	1.4
329.15341	2.3
330.12396	8.9
330.15897	1.0
337.11993	1.1
338.12704	1.4
339.14139	2.1
340.14474	1.9
340.18225	0.9
341.15671	1.1
342.12344	11.7
342.16196	3.7
343.13080	2.1
343.16818	2.8
344.13895	4.5
344.17688	1.9
345.14795	3.4
346.15457	1.0
354.16153	2.0
355.13104	5.6
356.13889	6.9
356.17432	1.0
357.14688	7.6
358.15524	3.5
362.18756	1.7
366.16229	2.2
367.13644	2.0
368.13760	1.8
368.17841	1.4
369.14926	2.8
370.11746	2.3
370.15561	8.2
371.16403	8.5
372.13058	1.7
372.17114	5.5
373.14154	7.7
382.15567	1.6
384.13187	2.4
384.17337	7.3
385.14154	6.0
386.14850	2.8
386.18799	2.3
387.15555	1.2
394.15671	1.6
398.14969	4.1
399.16040	4.6
400.16595	9.2
402.13712	1.1
402.18835	4.7
404.16049	1.0
412.16595	5.7
414.18155	11.0
416.16013	3.3
417.16675	2.4
418.17670	8.2
422.14273	1.2
428.16080	23.4
430.17697	12.9
440.16150	12.7
444.19247	1.4
446.17093	47.4
447.17783	1.5
458.17130	46.7
459.17816	1.2
472.18689	3.0
478.19766	59.1
490.19748	95.0
491.20102	2.3
520.20538	1.1
565.24469	1.2
567.25604	1.3
583.25647	1.6
593.23682	7.5
611.25037	100.0
612.25000	1.6
625.26398	6.5
643.27625	45.0
652.25122	0.9
755.28473	1.7
773.30096	5.1
778.35529	1.3
805.32208	3.2
967.33429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	2.7
69.07042	1.6
70.06592	5.8
71.44489	1.4
79.05470	1.4
80.05000	1.4
81.03414	1.6
85.02905	4.8
86.09705	1.8
86.19783	1.2
91.05472	1.9
93.07052	2.6
94.06544	5.8
95.07335	1.7
96.08122	5.6
105.24821	1.3
108.04475	2.3
108.08121	9.4
110.09679	9.7
116.04986	2.1
117.82932	1.2
119.06615	1.1
120.04455	4.3
120.08086	8.3
122.06016	5.3
122.09666	2.9
124.07576	5.7
127.03958	1.5
134.06032	2.7
136.07568	10.0
138.09145	14.1
138.70737	1.4
144.04449	4.4
146.06000	5.9
148.07567	4.9
150.09216	1.9
152.07054	2.1
160.03972	3.2
162.05533	4.5
164.07069	2.6
166.08627	17.6
172.03923	24.7
172.07623	1.8
174.05527	2.3
176.07060	4.0
190.04985	18.8
197.10527	1.5
199.08701	1.5
199.12296	1.9
204.06549	41.9
205.04715	1.3
205.87955	1.3
209.10718	1.9
211.08569	3.2
212.09363	1.4
224.09372	1.5
225.10181	8.4
226.11058	2.1
227.11786	13.2
236.09543	2.0
237.10196	3.3
238.10889	2.0
239.11803	3.6
241.09677	2.5
241.13332	1.9
245.12863	1.8
249.10214	1.8
251.11780	4.6
253.09587	7.4
255.11269	2.5
263.08200	2.6
264.08932	5.2
265.09741	3.1
267.11310	3.4
269.09946	1.9
269.12817	16.7
271.10748	11.4
273.12271	3.1
277.09753	2.4
279.11282	5.0
281.13062	1.4
283.10773	8.9
284.11588	5.5
285.12280	4.4
287.13882	17.8
295.10641	2.7
297.12271	13.7
299.13910	4.7
307.10678	2.5
309.12451	1.5
312.14975	2.4
313.11649	1.6
314.12756	1.7
315.13672	1.3
316.14423	2.6
321.12061	1.3
323.10278	8.7
325.11862	23.9
327.13422	3.7
328.10883	2.7
328.14377	2.6
329.15192	2.3
330.15958	2.3
331.16788	1.5
337.12085	1.6
341.11700	2.1
342.12115	7.1
343.13004	8.3
344.13995	2.4
344.17944	1.3
355.13016	2.3
356.14075	6.2
357.14465	24.7
358.15472	3.9
370.15613	6.7
382.11591	3.0
383.12793	2.2
384.13190	7.8
385.14001	3.5
386.14850	3.7
386.19116	2.4
390.18036	4.4
398.14944	23.8
399.15826	32.4
400.16391	4.5
404.16046	7.8
412.16385	3.4
414.18210	4.9
416.16055	22.4
418.17044	1.3
422.16998	1.6
428.16074	4.9
430.17642	4.5
440.16052	8.7
446.17291	8.8
458.17136	37.8
459.17581	1.5
478.19547	1.8
487.16940	9.0
490.19830	14.0
519.19568	2.3
539.26062	1.9
567.25433	1.9
569.23975	6.5
583.25287	2.0
593.23828	5.2
611.25000	100.0
612.25244	2.0
620.22595	2.1
643.27637	60.8
643.38354	2.9
652.24463	2.4
737.27570	3.2
745.31342	1.5
755.28558	2.0
773.30243	75.8
774.31476	1.8
805.32886	22.3
935.34149	1.8
967.33923	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	969.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05446	1.0
69.03416	3.2
70.06520	5.0
71.44570	0.6
72.08114	0.6
73.02867	0.8
74.06035	0.6
79.05429	1.8
80.04969	0.9
81.03381	1.2
81.05749	0.7
81.07027	0.7
82.06531	1.0
84.08096	0.9
85.02900	4.7
86.09644	1.4
91.05398	1.9
93.07043	3.8
94.06567	6.0
95.04884	0.9
95.07343	4.2
96.08128	11.0
97.02804	1.9
97.03400	0.5
97.06493	1.0
103.05412	1.3
104.90509	0.5
106.06504	1.4
107.07248	1.8
108.04403	1.4
108.08112	16.1
110.06003	0.6
110.09673	21.4
118.06473	0.6
120.04387	1.9
120.08095	17.3
122.06039	6.8
122.09653	3.0
124.07585	3.7
126.05437	0.6
127.03837	0.6
129.10168	1.0
132.08029	0.9
134.05931	1.6
134.09636	0.7
136.07573	15.6
137.08243	1.6
138.09134	33.8
144.04471	0.8
144.08128	0.7
146.05933	2.2
148.07571	8.4
150.09145	7.9
150.12018	0.5
152.07062	4.5
160.03915	4.5
160.07504	1.0
163.06187	0.6
164.06955	1.6
166.08629	54.1
168.10202	4.0
172.03940	5.8
174.05420	1.1
178.04953	1.0
178.08519	0.6
187.08505	0.6
190.05025	4.8
197.10625	1.4
198.09154	1.2
198.11279	0.6
199.08623	1.2
199.12297	0.7
204.06537	9.4
209.10670	1.6
210.11450	0.6
211.08598	2.2
211.12198	3.5
212.09360	1.6
212.13069	0.6
213.10208	6.1
213.13667	0.7
218.08081	1.1
220.09682	0.8
221.10831	0.6
221.66740	0.5
222.11359	0.7
223.08617	11.0
223.12057	2.7
224.09363	2.4
224.12886	1.2
225.10196	34.5
225.13770	1.8
226.10934	6.7
227.11777	10.9
228.12416	1.1
229.13269	0.8
235.08527	1.6
235.12259	1.7
236.09454	1.2
236.12962	0.8
237.06512	1.2
237.10204	17.8
237.13875	2.3
238.10963	11.8
238.13501	0.6
238.14615	1.3
239.08211	4.3
239.11763	26.4
239.15323	1.2
240.12527	5.3
241.13425	2.8
243.11020	0.6
246.07549	0.9
249.10217	4.1
250.10852	3.9
251.08081	13.2
251.11707	20.6
252.08534	0.6
252.10329	0.9
252.12526	4.2
253.07166	1.1
253.09637	16.9
253.13274	10.5
254.10452	6.7
254.14153	1.1
255.11243	2.5
255.14857	1.5
257.12750	0.8
259.14233	0.8
262.11057	1.0
263.08966	0.8
263.11740	5.8
264.08899	2.3
264.12433	3.0
265.09637	37.4
265.13251	17.4
266.10428	16.1
266.14005	3.5
267.11215	11.1
267.14798	3.0
268.11966	1.7
269.09171	1.6
269.12744	3.2
270.09906	1.3
270.13208	0.6
271.10721	4.7
271.14337	1.8
273.12231	2.4
275.11682	1.6
276.12466	0.8
277.09900	3.3
277.13034	2.9
278.10483	3.0
279.11279	25.1
280.09451	1.3
280.12042	1.6
281.10373	0.6
281.12830	17.5
282.09909	2.1
282.13535	2.0
283.10687	17.0
283.14316	7.6
284.11465	4.8
285.12323	56.1
286.13129	6.4
287.13983	3.6
291.11197	4.1
292.11954	2.5
293.12784	11.3
294.13602	2.8
295.10788	2.5
295.14331	6.6
296.11597	3.2
297.12329	24.5
298.13181	9.9
299.13889	25.6
300.14362	1.2
301.12381	0.6
301.15298	3.5
304.14404	0.8
305.09167	1.0
307.10669	5.3
308.11435	1.1
309.12320	12.5
310.13055	3.9
311.10443	1.2
311.13873	22.4
312.14639	1.1
313.11990	1.2
313.15399	4.9
315.13510	1.3
316.14392	0.7
318.15805	0.9
319.10608	1.9
320.11591	1.5
321.12341	7.7
323.10385	2.9
323.13647	0.9
324.10944	1.3
325.11829	25.4
325.15372	1.2
326.12640	6.3
326.16119	1.1
327.13370	57.0
330.16086	1.7
332.17426	0.8
337.11755	10.0
338.12570	16.1
339.13376	20.0
340.14044	0.7
341.15009	1.5
342.16028	0.9
343.12881	2.1
344.13727	2.1
344.17505	0.8
345.14432	1.4
346.15506	1.2
353.15103	0.7
354.15787	0.8
355.12909	2.0
357.14377	13.8
358.15234	6.2
358.19122	1.1
359.16000	11.0
360.16968	1.4
369.14426	3.3
370.15262	4.6
371.16046	7.6
372.16943	2.5
374.18866	0.7
376.16425	1.4
378.17883	0.9
387.15445	0.7
388.16492	1.2
390.18036	2.3
391.18814	1.6
392.19598	1.5
393.20212	1.1
397.13950	0.9
400.16220	1.3
402.18079	1.6
404.19586	2.6
406.21521	1.2
412.16721	1.1
414.18188	1.9
416.19986	1.2
418.17398	9.3
419.18103	0.8
420.19040	1.6
422.20670	2.1
428.19760	0.7
429.16599	0.8
430.17502	2.1
431.17413	0.8
432.19009	5.0
434.20728	1.2
436.18680	1.7
442.17773	1.1
444.19208	1.8
446.21375	4.5
447.21545	1.0
448.17566	3.8
449.19321	0.9
450.20242	10.1
451.21252	3.2
460.18881	2.7
462.20270	4.4
463.20746	1.0
464.21829	5.2
465.22662	4.8
466.23526	3.4
473.19458	1.0
474.20029	4.1
478.19861	2.3
480.21179	7.8
487.16962	1.3
489.18381	1.1
490.19757	11.6
491.20535	16.4
492.21265	56.3
493.21469	0.7
494.23016	0.7
504.21490	0.8
508.20920	0.9
509.21683	3.9
522.22357	10.8
523.23114	89.8
524.23895	66.8
524.29962	1.3
525.24164	1.0
552.23883	0.9
569.27802	1.1
580.22656	0.7
585.26398	1.3
587.28619	5.3
595.25574	3.3
613.26532	55.6
614.15442	0.7
614.25940	0.7
627.28284	1.4
635.24719	1.7
636.25299	1.6
645.29132	100.0
646.29407	1.7
652.24768	1.1
653.25708	42.6
654.26520	11.0
673.29138	0.8
684.27753	1.1
685.28339	51.0
686.29126	9.7
687.29608	0.6
739.29724	2.2
757.30756	2.3
764.20056	0.7
775.31830	8.6
789.33221	1.0
807.34033	3.6
815.31067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.7
68.79679	0.8
69.03423	2.1
70.01515	1.9
70.06594	5.3
71.73302	0.8
72.08139	1.2
75.64215	0.8
79.05495	1.9
81.03410	1.4
82.06600	1.4
84.08125	1.5
85.02898	3.3
86.09707	2.0
91.05476	2.6
93.07042	3.8
94.06553	7.9
94.06971	0.7
95.04955	1.2
95.07338	3.6
96.08126	12.3
97.02905	2.6
97.06496	2.2
98.23376	1.6
103.05453	1.6
106.06570	1.6
107.07401	1.1
108.04456	2.7
108.08121	14.0
110.09680	21.7
120.08099	15.1
120.08874	1.2
122.06016	8.1
122.09693	2.5
123.23938	0.8
123.98898	0.8
124.07587	3.1
125.23000	0.9
127.03889	1.5
132.08060	0.8
134.06029	2.0
136.07573	13.4
136.91359	0.8
138.09142	27.8
146.06046	1.0
148.07549	5.8
150.09111	8.5
152.07097	3.9
154.03624	0.8
160.03963	5.7
162.05545	0.8
162.07123	0.7
164.07077	2.6
166.08635	50.6
168.10187	2.2
169.44843	0.9
172.03969	3.5
174.09154	1.4
178.05013	1.7
190.05008	3.0
190.08630	0.9
197.10625	1.5
199.08656	1.5
200.10822	1.0
204.06558	5.1
209.08075	1.4
210.09224	1.0
211.08606	3.9
211.12338	3.3
212.09412	1.5
213.10196	4.2
220.09718	1.0
223.08623	5.9
223.12225	2.0
224.13071	1.2
225.10207	23.8
225.12209	1.5
225.13708	1.3
226.11023	4.1
227.11816	9.1
229.13467	1.3
232.10045	0.8
235.08635	1.1
235.12149	1.3
236.09300	1.3
237.10260	14.0
237.13878	3.7
238.10956	8.5
239.08191	5.2
239.11754	21.4
240.12444	5.9
241.09677	1.3
241.13364	2.9
247.12270	1.0
249.10204	6.1
250.11009	6.4
251.08098	8.4
251.11789	19.0
252.08917	1.0
252.12589	5.0
253.09737	12.5
253.13365	14.3
254.10477	12.4
255.11230	2.5
255.15009	2.1
261.32114	0.9
262.10938	0.9
263.08902	1.6
263.11786	12.2
264.09036	2.3
264.12454	6.5
265.09726	24.0
265.13358	24.1
266.10504	11.0
266.14044	3.5
267.11298	9.8
267.14932	3.4
269.12842	3.0
271.10773	3.6
273.12225	1.8
275.11877	1.0
277.09708	4.2
277.13306	1.9
278.10522	2.7
279.11285	21.1
279.14145	0.7
280.09555	2.0
280.12082	2.8
281.12848	18.2
282.13623	3.8
283.10782	13.9
283.14352	7.2
284.11642	2.7
285.09177	1.8
285.12329	31.8
286.13000	3.2
287.13834	3.3
291.11212	3.8
291.14120	0.9
292.12180	1.5
293.09583	1.4
293.12778	11.6
294.10403	1.1
294.13641	3.3
295.07751	0.9
295.10773	4.4
295.14435	6.3
296.11572	3.3
297.12357	16.9
298.13245	5.3
299.13882	21.5
300.14536	0.9
301.15445	1.6
307.10901	4.4
308.11536	1.8
309.12311	51.0
310.13116	4.7
311.10339	1.6
311.13876	24.5
312.14719	1.2
313.11905	1.9
313.15524	3.0
319.10635	2.9
320.11322	1.6
321.12296	8.0
323.10352	1.5
323.14502	1.8
324.11093	2.3
325.11807	17.6
325.15567	1.1
326.12613	6.2
327.13385	91.4
330.16003	1.7
332.17136	1.2
337.11832	14.3
338.12601	13.6
339.13422	20.3
341.15012	4.6
344.17493	1.1
353.15137	1.2
355.12869	1.5
357.14487	11.1
358.15259	5.2
359.16132	11.1
369.09650	1.0
369.14426	22.1
370.15082	3.3
370.19241	1.3
371.16016	27.4
372.16791	3.0
374.18781	1.3
386.18851	1.6
390.17734	1.2
400.16635	1.4
402.17960	1.4
404.19632	4.1
414.18137	2.1
416.19638	3.5
418.17334	5.6
430.17661	2.6
432.19168	10.0
442.16937	1.9
444.19208	1.1
446.20618	3.2
448.18271	10.1
449.18875	1.1
450.20264	4.5
451.21292	1.8
460.18713	22.9
462.20038	2.8
464.21750	2.8
465.22513	3.6
466.23441	1.2
474.20401	6.4
480.14392	1.5
480.21310	33.3
490.19836	9.1
491.20499	9.8
492.21274	100.0
493.21512	2.5
506.22803	1.1
509.21259	2.4
522.22241	6.4
523.23126	44.9
524.23883	30.9
569.26843	1.2
585.27130	1.3
587.28369	3.4
594.24463	1.5
595.25671	5.0
600.23029	1.0
613.26544	83.7
614.26331	1.5
624.24951	1.9
627.28217	4.0
635.24634	1.8
636.25311	4.1
645.29156	92.8
646.28833	1.0
652.24738	1.7
653.25806	25.6
654.26434	10.1
667.27435	1.6
668.28851	1.0
669.24628	3.7
677.03973	0.9
685.28369	32.9
686.28979	9.7
739.29468	2.5
757.30835	4.2
773.14294	0.9
775.31787	8.0
789.33588	1.8
807.33698	3.2
815.30212	3.4
898.50989	1.1
969.53027	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.9
69.07067	11.7
71.04994	2.5
73.02895	2.6
77.03941	2.0
79.05489	33.9
81.03407	1.8
81.07058	40.7
83.04966	1.4
83.08617	6.8
85.02904	13.0
85.06496	1.2
91.03958	9.6
91.04939	2.1
91.05477	33.6
93.00227	1.2
93.07042	40.8
95.04977	5.4
95.08604	32.2
97.02906	6.2
97.06508	1.6
97.10154	2.5
99.08080	2.9
105.04503	1.8
105.07027	37.0
107.08599	23.4
109.06488	2.1
109.10146	17.0
111.08047	1.9
111.11708	1.3
113.09618	1.3
115.05470	1.9
117.07033	10.4
119.08578	25.4
121.10140	24.8
123.08029	1.1
123.11735	6.0
125.09631	1.1
127.03903	5.4
128.06216	1.5
129.07024	5.4
131.08572	16.6
133.10123	27.8
135.08017	1.4
135.11691	14.9
137.13333	1.5
141.07039	1.5
143.08524	5.2
145.04982	6.2
145.10129	17.6
147.11687	27.6
149.09618	1.9
149.13266	10.6
157.10115	7.0
159.11690	17.4
161.09711	1.1
161.13260	19.2
163.06004	13.5
163.11206	1.8
163.14844	5.2
169.10175	2.1
171.11678	11.9
173.13258	12.4
175.14796	8.8
177.16380	1.4
183.11671	3.5
185.13281	7.0
187.14821	5.0
189.16371	2.0
191.14177	1.2
197.13286	3.0
199.14845	6.4
201.16335	1.8
211.14774	2.4
213.16429	3.8
215.17876	2.3
217.19522	2.0
223.14925	1.3
229.19456	1.9
231.21046	5.4
239.17970	2.8
241.17389	1.6
241.19562	21.4
243.21133	3.1
257.18982	7.3
259.20584	65.2
261.22104	12.6
263.23682	1.2
271.20477	1.2
275.23831	1.3
277.21518	1.6
289.21561	1.5
299.23721	1.7
315.23138	4.8
317.24652	1.7
325.21570	1.3
331.22806	1.8
333.24249	48.7
334.24393	2.2
335.25809	76.8
336.25995	1.7
337.27493	5.6
339.26801	1.3
351.25391	1.4
367.22662	3.1
403.24957	1.4
427.32401	1.7
441.26331	2.3
487.33591	1.2
489.35492	2.4
501.35233	1.4
503.37994	1.3
519.42212	5.7
537.43311	2.6
541.38470	2.1
541.81866	1.1
593.45673	16.9
611.46686	100.0
612.46893	2.4
623.46289	2.5
635.46210	2.2
656.27185	1.2
677.47229	1.7
701.47461	3.7
719.48645	2.5
737.49219	2.8
755.50922	5.9
755.62903	1.2
938.33813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.9
69.07076	0.5
69.14048	1.2
69.14449	1.6
73.02920	2.3
79.05502	2.0
81.03424	0.9
81.07078	1.7
84.87856	0.5
85.02906	4.2
91.03985	2.9
91.05489	1.5
93.07060	1.5
95.08621	1.8
97.02894	4.9
99.04460	0.7
101.02396	1.5
103.04004	0.6
103.62624	0.4
105.07040	1.0
107.08618	0.9
109.02910	1.0
109.10184	0.9
119.08611	0.9
121.10157	0.5
123.11765	0.4
127.03932	1.3
133.10158	0.7
135.11732	0.6
145.10095	0.5
146.11916	0.5
147.11717	0.9
149.13277	0.5
185.04228	0.8
203.05336	1.4
208.17761	0.4
210.55133	0.5
243.08543	1.7
259.07748	0.5
276.35974	0.6
345.69824	0.4
347.09451	5.8
363.09204	1.7
365.10715	1.3
382.53387	0.5
405.13672	9.2
463.14438	1.6
477.15927	0.6
519.29425	5.1
535.28723	2.8
600.36395	0.5
627.27380	0.5
681.34503	9.0
681.45276	0.6
697.34216	5.1
753.36780	1.4
813.51202	1.5
975.56476	100.0
976.57495	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	978.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07379	5.5
71.08626	1.3
86.09707	51.1
98.98473	3.8
104.10743	92.8
105.11055	1.1
112.07636	1.1
122.10194	0.9
124.99995	25.6
133.06941	1.0
136.05203	1.0
150.16698	1.0
184.07341	89.8
216.95319	1.1
223.20654	1.0
223.50879	1.1
228.51883	1.1
249.37883	1.1
258.10980	1.4
279.02493	1.1
313.27182	2.1
434.17905	1.1
478.32959	8.2
496.33978	100.0
497.34872	1.7
963.38745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.1
69.37653	4.2
70.06587	5.4
79.05489	1.7
80.05021	1.9
81.03386	1.2
81.05764	1.8
82.06593	1.6
84.08121	2.0
85.02893	3.4
86.09705	1.2
91.05480	3.6
93.07036	6.8
94.06562	11.6
95.04971	1.3
95.07349	7.6
96.08128	14.3
97.02859	1.3
98.23459	1.7
103.05454	0.9
105.04507	1.1
105.05811	0.9
105.07047	0.8
106.06547	3.6
107.07324	3.2
108.08117	16.0
109.08900	1.2
110.06016	1.3
110.09679	28.5
120.04446	1.0
120.08107	24.6
121.08881	2.4
122.06037	12.5
122.09679	10.0
124.07578	1.5
132.08092	1.2
134.06007	6.6
134.09698	1.5
136.07579	9.6
138.09140	100.0
146.09622	1.3
148.03986	1.9
148.07570	1.9
150.09143	6.1
152.07082	2.1
160.03952	2.0
164.07039	5.3
166.08643	11.3
168.10217	1.8
172.03822	0.9
174.09192	2.8
176.03415	1.1
178.08614	1.5
180.10056	1.1
183.09245	1.0
199.08577	1.0
204.06485	1.3
211.08685	1.0
211.12175	1.2
213.06590	2.1
213.10249	1.6
215.11658	1.2
220.09776	1.2
222.09180	0.8
223.08539	1.3
225.06729	1.2
225.10156	5.3
226.10956	1.2
227.08144	3.6
227.11749	3.8
228.08902	2.2
229.09570	1.2
229.13248	1.1
237.10251	4.6
237.13776	1.1
238.11050	1.5
239.08127	3.0
239.11790	8.4
240.08923	1.4
240.12500	1.4
241.09694	8.0
241.13440	2.3
242.10474	8.7
243.11235	2.6
248.09290	1.4
249.10150	2.3
250.11017	2.3
251.08159	2.9
251.11783	7.0
252.08919	1.8
252.12674	1.0
253.09631	8.1
253.13382	3.5
254.10304	4.6
255.07614	2.0
255.11269	9.1
256.12033	1.4
257.09235	0.9
257.12872	1.1
263.11789	6.2
264.12411	2.4
265.09714	4.7
265.13376	8.2
266.10486	2.3
267.11273	10.7
267.14459	1.3
268.12009	2.0
269.09244	2.4
269.12814	4.7
270.10004	3.8
271.10876	2.3
271.14304	1.8
273.12311	1.2
277.09613	1.2
278.10510	1.1
279.11234	4.5
281.09186	2.3
281.12869	5.5
282.10254	1.4
282.13455	1.5
283.10754	5.3
283.14218	2.1
284.11554	1.8
285.12332	7.3
286.12927	0.9
287.10272	2.2
287.13861	3.0
291.11279	1.9
292.12064	1.3
293.12857	3.6
295.10822	5.7
296.11542	2.7
297.12299	8.6
298.09622	1.3
298.12952	1.4
299.10220	3.6
299.13910	4.2
300.11066	2.6
300.14426	2.7
301.11826	4.3
307.10855	0.9
309.12317	19.5
310.12436	1.0
311.06265	1.0
311.10168	4.9
311.13861	12.1
313.11780	15.7
314.12512	2.1
315.13412	12.1
321.12354	2.7
323.10269	2.7
325.11856	7.6
327.09958	1.4
327.13376	22.8
329.11298	1.8
337.11935	5.8
338.12631	2.3
339.09616	2.6
339.13443	3.8
341.11206	8.4
341.14832	1.5
342.12231	2.6
343.12900	51.4
345.14490	2.8
347.15955	1.7
355.12805	2.1
357.14496	3.3
359.12076	1.2
359.15994	3.2
369.10077	1.5
369.14438	17.3
370.15387	1.3
371.12170	7.2
371.16043	15.5
373.13943	27.6
374.14600	3.2
375.15466	10.6
400.16971	1.1
404.19891	1.2
414.17886	1.3
416.19958	1.3
418.17548	2.6
430.17621	1.1
432.19229	5.1
434.16470	1.3
436.18448	4.3
442.19400	2.8
446.17090	2.4
448.18585	3.5
460.18616	9.3
464.18164	11.2
480.21335	11.2
490.19855	9.9
492.21304	34.5
494.19525	5.8
496.20792	59.2
497.20883	1.0
508.20752	9.5
520.20947	1.9
522.21777	2.8
538.22003	1.4
540.23254	3.5
583.25024	3.8
593.23822	2.3
601.26825	4.9
611.24951	18.5
615.18237	1.7
615.28082	25.2
618.25598	0.9
627.27820	1.4
629.16107	1.3
629.26044	13.7
633.29102	33.3
643.27600	30.1
652.23956	1.0
658.25555	1.5
661.28693	89.3
662.28186	1.8
670.25769	1.1
777.33380	4.6
795.33966	3.2
805.32471	1.7
823.33856	6.7
985.39697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53844	1.6
69.03426	9.1
69.07069	32.5
71.04991	7.1
73.02927	2.7
79.05488	71.3
79.05948	3.5
81.03418	11.2
81.07053	100.0
82.33576	1.6
83.04974	12.5
83.08604	16.9
85.02892	15.5
85.06548	5.4
87.04482	1.7
91.03949	5.5
91.05479	53.2
93.07040	81.4
95.04967	17.6
95.08595	60.0
97.02898	11.6
97.06514	13.4
97.10175	6.4
99.04456	2.8
99.08089	3.3
100.26194	1.6
103.05479	2.3
105.04536	5.0
105.07027	41.2
107.04959	6.8
107.08589	51.4
108.04150	1.6
109.06508	7.8
109.10152	24.8
111.04426	1.9
111.08081	6.9
113.09644	2.2
115.05428	1.9
117.07018	22.9
118.47192	1.8
118.70735	1.6
119.08578	32.5
121.06522	5.7
121.10132	32.1
123.08072	5.4
123.11709	7.3
125.09638	7.9
127.03934	6.6
127.07528	1.9
129.05501	2.9
129.07019	6.9
130.07838	1.8
131.08553	26.2
133.10126	30.6
135.08066	5.6
135.11687	28.7
137.09648	2.3
137.13272	2.5
137.77127	1.6
143.08531	7.4
145.04945	3.5
145.06522	2.4
145.10118	25.8
147.08145	2.5
147.11691	18.4
149.09593	9.9
149.13252	16.4
151.11145	1.8
155.08571	3.1
157.10139	5.5
159.08125	2.9
159.11682	22.3
161.09659	1.5
161.13263	7.1
163.11205	6.7
163.14784	4.5
165.12767	2.8
169.10091	3.9
171.10330	1.5
171.11702	7.4
173.04523	3.3
173.13245	10.7
175.11232	2.5
175.14868	3.0
177.12767	2.8
183.11656	4.5
185.13275	4.1
187.11157	2.0
187.14859	4.9
189.11205	4.4
189.23180	1.6
195.13824	5.2
197.13203	2.5
199.14783	2.5
201.12778	2.6
201.16296	2.0
212.52510	1.7
227.12761	3.1
227.18144	1.8
229.14297	2.9
229.19501	2.2
239.17943	3.2
243.21112	3.3
247.20497	2.2
253.18301	2.4
255.15862	10.4
257.18951	8.0
259.12091	1.7
259.20663	3.5
261.22159	14.3
267.16037	3.0
269.17416	33.0
271.34879	1.6
275.20050	30.6
293.21155	3.1
317.24680	2.8
331.22650	3.5
333.24332	4.1
335.25784	92.9
349.23740	29.7
351.25006	2.5
367.24905	6.8
413.21844	2.9
437.34198	3.1
489.74170	1.9
515.37256	17.4
529.38873	79.8
569.41858	5.1
609.45172	47.5
627.46112	15.1
673.42273	2.9
771.49915	3.8
972.09296	2.0
986.56799	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	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	4.5
69.07067	17.2
69.24380	2.1
69.24787	1.9
71.04980	3.2
71.08646	0.7
73.02927	2.7
77.03922	2.3
79.05491	41.3
81.03438	4.2
81.07056	47.7
83.04966	3.7
83.08616	10.9
85.02457	1.1
85.02907	10.6
85.06523	2.4
91.03957	5.0
91.05479	35.8
93.07044	43.8
95.04971	10.0
95.08604	39.7
97.02883	6.9
97.06519	5.6
97.10161	7.9
98.23495	0.8
99.04434	1.6
99.08099	2.8
101.97543	0.7
103.05447	1.7
105.04525	2.7
105.07027	33.0
107.04967	3.7
107.08596	30.1
107.09339	1.4
109.02893	1.3
109.06506	4.5
109.10160	16.3
111.04393	1.0
111.08089	2.8
111.11735	0.7
115.05463	1.5
116.06212	0.9
117.07010	15.4
119.08580	23.0
121.06496	2.3
121.10141	21.3
123.08059	2.9
123.11703	4.2
125.09638	6.8
127.03915	4.0
128.06168	1.0
129.05443	0.9
129.07018	6.6
130.07767	1.3
131.08563	20.1
133.10132	21.1
135.08057	3.0
135.11687	11.6
137.09654	1.8
137.13260	1.8
141.06981	2.0
142.07773	1.2
143.08560	7.5
144.09358	0.7
145.04947	2.0
145.06532	0.8
145.10112	19.1
147.08043	1.6
147.11681	14.9
149.09627	7.5
149.13264	5.8
151.11171	2.1
153.09180	0.7
155.08557	3.1
157.10130	8.2
159.11687	18.3
161.09615	2.3
161.13272	7.5
161.61227	0.8
163.06009	1.4
163.11169	4.5
163.14861	1.7
165.12755	1.5
169.10133	4.3
171.10287	1.1
171.11676	5.3
173.11862	1.8
173.13251	10.5
175.14824	3.1
177.12747	2.7
179.14413	1.0
183.11720	3.6
185.13243	10.1
187.11180	1.3
187.14790	3.9
189.11209	4.2
189.12721	1.0
189.16374	1.4
195.11697	1.1
197.13269	4.3
199.14828	1.6
201.12827	0.9
201.16425	2.2
203.14352	3.6
205.15880	1.7
211.14801	1.5
215.18016	1.7
219.17480	4.0
223.13173	1.5
227.12827	5.5
229.19560	2.1
239.17976	6.6
241.19589	1.4
243.21126	1.8
257.18991	14.5
259.11819	0.8
259.20590	3.9
261.22171	7.4
269.17514	3.1
275.17026	1.5
275.20050	28.7
277.21652	1.5
293.21124	3.1
313.21570	0.9
317.24792	1.9
331.22607	6.7
333.24332	3.8
335.25800	100.0
349.23730	30.5
351.25671	1.1
365.21176	1.1
367.24939	3.7
489.35376	1.0
501.35980	1.0
505.35089	2.7
515.37561	4.4
517.40417	1.8
529.38977	11.0
535.41418	1.7
545.38672	0.8
555.40424	3.1
569.41840	2.9
591.43878	2.6
609.45117	79.6
627.46191	19.4
627.56110	0.7
651.46771	1.6
717.46851	1.1
735.47766	1.0
753.49841	1.4
771.50793	1.4
935.16779	0.8
987.56384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.8
69.07066	8.6
69.47988	1.9
71.04993	2.1
71.08656	0.8
73.02901	2.4
75.27357	0.4
77.03915	0.6
79.05492	26.3
81.03420	1.2
81.07055	23.0
81.86013	0.4
83.04981	1.1
83.08622	4.4
85.02905	7.5
85.06560	1.3
89.06003	0.7
91.03970	4.8
91.05478	28.6
93.07043	26.1
95.04960	4.9
95.05414	0.4
95.08601	19.8
97.02892	4.4
97.06532	2.3
97.10184	2.0
99.04474	0.9
99.08068	1.2
101.02413	0.5
103.03933	0.5
103.05469	1.4
105.04525	2.1
105.07031	27.1
107.04955	1.2
107.08594	14.2
109.06543	1.6
109.10156	8.9
111.08118	1.2
115.05441	2.2
116.06251	0.4
117.07021	13.8
119.08581	21.9
121.06575	0.6
121.10146	11.7
123.08079	1.0
123.11703	2.7
125.09640	1.3
127.03944	1.7
128.06215	2.4
129.07001	9.6
130.07831	1.5
131.08559	17.1
133.06564	0.7
133.10121	13.4
135.08080	0.9
135.11690	5.8
137.09644	1.0
137.13283	0.8
141.06984	4.3
142.07729	2.4
143.08568	10.2
143.09613	0.7
144.09297	0.7
145.04979	2.7
145.06490	0.7
145.10123	15.5
147.08029	0.7
147.11690	10.2
149.09662	0.9
149.13252	3.4
153.06995	1.1
154.07826	1.2
155.08528	6.2
156.09373	1.4
157.10130	10.1
158.10945	0.6
159.08125	0.6
159.10381	0.6
159.11696	12.6
161.09727	0.9
161.13263	5.2
163.06009	4.5
163.11307	1.0
163.14862	1.6
165.07053	0.8
166.07817	0.4
167.08543	3.3
168.09286	1.2
169.10110	8.7
169.11421	0.5
171.11679	9.3
171.13037	0.9
173.09532	0.6
173.13266	7.1
175.11087	0.5
175.14809	2.2
177.16357	0.7
179.08612	1.4
180.09415	0.6
181.10115	4.4
182.10916	0.6
183.08095	0.5
183.11684	9.0
185.13232	7.9
186.59888	0.4
187.14798	3.3
189.16438	1.3
193.10138	1.2
195.11699	5.4
196.12540	0.6
197.13243	6.4
199.14819	4.5
201.12704	0.5
201.16365	1.7
203.18062	0.7
205.10094	0.7
207.11775	1.7
209.13272	4.1
209.15009	0.5
211.14824	4.5
213.16493	3.1
215.17938	1.2
219.11703	0.6
221.13315	1.5
223.14954	3.1
225.16338	3.0
227.18031	1.9
229.19476	0.8
235.14856	1.5
237.16339	2.2
239.18016	2.9
241.17628	0.8
241.19621	1.5
247.14891	0.7
249.16432	1.1
251.18097	1.3
253.19679	0.9
257.18948	3.7
259.20602	4.3
261.16364	0.7
261.22195	0.9
263.17892	0.7
265.19669	0.8
271.20547	1.1
273.22241	0.8
275.20123	0.8
281.23041	0.7
283.20471	0.9
285.22162	0.7
287.23730	0.8
293.18927	0.6
297.22137	0.8
305.22302	0.6
311.23822	1.2
313.21646	0.9
315.23184	0.5
321.21948	0.7
323.23758	1.2
325.21844	0.8
327.23383	0.8
329.21283	0.7
331.22809	1.4
333.24255	4.4
335.25732	1.6
337.24976	0.7
339.23111	0.6
339.26950	0.7
341.24643	0.7
345.24548	0.6
349.25076	0.9
351.26743	1.6
355.26309	0.6
363.26727	1.1
365.28589	1.1
367.26572	0.6
379.30191	0.7
381.28082	0.6
387.29895	0.5
389.27847	0.6
393.27075	0.6
395.29401	0.9
409.30908	0.7
415.30020	0.6
417.31979	0.5
421.30664	0.9
425.30542	0.5
435.32330	0.8
439.32333	0.6
447.32150	1.6
459.31662	0.7
461.34052	1.0
469.33081	0.6
473.32962	0.8
483.34695	1.0
487.34137	1.6
497.35950	0.7
499.39795	1.4
501.35965	2.1
513.35858	1.2
515.37640	1.4
517.40442	8.9
521.36194	1.0
525.35895	1.0
527.37341	1.3
529.38696	0.6
535.41705	4.9
539.37286	3.1
540.38141	0.8
541.39484	1.0
555.40875	0.6
567.40485	0.7
573.43182	1.1
591.44043	9.5
607.43237	1.3
609.45117	100.0
610.18793	0.6
610.45477	0.9
621.45190	1.1
633.44763	0.6
651.46118	1.0
675.46387	1.0
693.47186	1.1
699.46313	1.1
717.47180	1.7
735.48157	2.4
753.49237	2.6
771.50482	9.1
986.57996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	10.6
69.46987	0.7
69.47375	0.8
71.04978	0.4
71.08623	2.6
72.08176	1.4
79.05498	1.4
81.07047	2.8
83.08621	9.9
85.10176	1.4
90.70268	0.2
91.05441	0.4
93.07043	2.0
95.04946	0.9
95.08612	2.0
97.06496	0.8
97.10165	6.9
107.08565	1.3
109.10125	0.8
109.39295	0.3
111.08012	0.5
111.11739	1.9
113.06005	2.0
115.03685	2.1
116.30399	0.3
119.08531	0.4
120.96635	1.0
121.10184	1.4
123.11683	0.4
125.09630	0.4
125.13303	0.3
131.08537	0.4
135.11653	1.2
149.13237	0.4
173.08160	0.3
174.98528	0.5
176.99254	5.2
180.75011	0.3
182.90823	0.3
194.62009	0.3
195.00293	100.0
213.00040	0.4
236.02859	0.4
236.94102	0.7
254.95139	1.3
269.03876	0.5
292.96655	0.9
311.25793	11.6
330.97223	0.3
333.24078	0.3
335.25833	0.4
348.99078	0.6
351.24982	0.3
367.00522	0.3
487.24695	1.3
505.25348	99.4
506.25650	1.1
571.37750	0.3
582.64319	0.3
585.21069	0.7
609.44989	0.3
803.40234	0.6
987.52655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.0
69.07080	1.2
71.45484	0.5
73.02929	2.3
79.05502	1.6
81.03425	0.6
81.07067	1.8
83.04984	0.4
83.08670	0.4
85.02910	3.5
91.03953	1.9
91.05491	2.6
91.05981	0.4
93.07035	2.1
95.04986	0.6
95.08649	1.3
97.02893	4.1
97.06485	0.4
97.10150	0.5
99.04459	0.9
101.02400	1.0
105.07025	2.3
107.08617	1.2
109.02895	0.4
109.10199	0.5
117.07036	0.9
119.08604	1.2
121.10143	0.5
127.03934	1.1
131.08641	0.8
133.10184	1.1
147.11736	0.8
149.09715	0.5
159.11737	0.5
170.86522	0.4
176.99277	0.8
185.04301	0.6
195.00351	2.6
201.03773	0.8
203.05402	0.8
206.18185	0.4
237.06012	0.4
243.08318	1.8
275.20218	0.5
282.63339	0.4
298.84329	0.4
301.09143	0.8
311.25967	0.5
315.19275	2.3
332.30521	0.4
347.09418	4.4
363.08893	1.8
365.10648	0.9
371.22107	0.4
405.13724	7.4
405.18716	0.6
463.14215	0.6
465.21194	1.0
475.14200	0.6
505.25433	3.7
507.26935	1.4
533.27185	5.0
535.28821	3.7
627.26007	0.8
657.27704	0.7
695.32501	5.8
697.34039	4.4
767.34039	0.6
777.21954	0.4
827.48639	1.0
851.42523	0.4
989.54401	100.0
990.54871	3.3
1026.40710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.38
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16012	1.5
69.16408	3.2
70.06733	3.1
72.08273	0.9
72.70217	0.7
84.04602	0.8
84.08265	0.8
84.85624	0.6
86.09801	0.9
93.94585	0.6
98.23451	1.1
107.68462	0.6
129.10448	0.8
145.05145	0.8
172.07570	1.2
237.10466	0.8
269.38828	0.7
275.08170	1.1
287.05438	0.6
287.08331	2.3
289.09821	0.9
301.09750	1.3
303.11438	2.5
304.12125	0.9
311.13632	5.2
315.11328	0.8
316.12268	1.9
317.12997	0.8
321.12332	0.9
338.12531	1.8
347.10028	3.9
348.11227	1.2
349.12100	1.1
350.12091	0.8
359.10156	1.4
360.11230	2.0
361.11636	3.6
362.12686	1.6
368.00705	0.7
376.70151	0.7
438.18164	1.8
441.75302	0.7
452.20142	1.5
453.20441	1.0
454.17670	1.0
468.19104	4.6
469.19986	1.1
482.17157	1.4
496.18622	1.8
497.19650	1.5
509.15302	3.2
512.17847	1.7
513.18866	0.9
514.19482	3.8
541.18030	1.3
542.18842	5.5
556.21472	0.9
572.24274	1.1
590.25067	0.8
601.24994	0.9
602.21100	13.5
616.22638	5.8
620.22241	1.2
631.25793	1.6
634.24139	3.2
648.25751	1.4
658.23413	1.5
660.21857	1.2
675.24390	2.3
753.31219	1.4
797.29956	100.0
798.30420	3.5
829.32715	22.1
959.35736	0.8
991.37384	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.9
69.07063	0.7
69.61799	0.4
71.01360	0.3
71.05014	0.1
73.02911	1.7
77.63651	0.1
79.05494	1.7
81.03414	1.0
81.07049	1.6
83.01140	0.1
83.05016	0.2
83.08640	0.3
85.02902	3.3
85.03406	0.2
87.04472	0.3
91.03955	1.7
91.05476	1.9
93.07041	2.0
93.07597	0.1
95.01099	0.3
95.04993	0.4
95.08600	1.2
96.01862	0.1
97.02896	3.4
98.22723	0.2
99.04486	0.5
101.02375	1.0
103.03932	0.1
105.07035	1.5
107.08580	1.0
109.02872	0.6
109.06499	0.1
109.10184	0.3
115.03978	0.3
117.07050	0.5
119.08582	1.2
121.10140	0.6
127.03902	1.0
129.05489	0.2
129.07024	0.4
131.08600	0.4
133.10121	1.0
135.11679	0.6
140.11026	0.1
143.08641	0.3
145.04967	0.2
145.10158	0.4
147.11670	0.6
149.13278	0.2
157.04787	0.2
157.10211	0.2
159.11780	0.4
161.13315	0.4
163.14906	0.1
169.04738	0.2
171.11716	0.2
173.13293	0.1
185.04219	1.0
185.13429	0.2
201.03708	0.8
203.05246	1.2
227.05328	0.2
241.06932	0.1
243.08432	1.2
245.06445	0.4
257.06357	0.3
259.08087	0.5
259.20779	0.3
271.69388	0.1
275.07584	0.3
299.19980	0.1
301.08948	0.6
305.08591	0.2
313.09018	0.2
315.10526	0.2
317.20782	0.6
319.09949	0.6
329.05219	0.2
329.08740	0.5
331.10263	0.2
333.24448	0.2
337.27615	0.2
341.12164	0.1
347.09442	4.8
355.13947	0.2
357.23865	0.1
363.08984	2.2
365.10437	1.3
373.11612	0.1
373.23758	0.3
383.17114	0.2
397.18454	0.3
403.12073	0.3
405.13675	7.2
415.24432	0.2
421.13217	0.1
463.14264	1.5
463.20288	0.2
465.21109	0.7
475.14285	0.7
477.15704	0.8
489.15918	0.4
495.21725	0.2
503.17517	0.4
505.19513	0.1
517.19153	0.6
517.27271	0.2
519.20557	0.3
525.23419	0.3
531.20551	0.2
533.22089	0.4
535.16272	0.3
535.28717	4.6
545.22156	0.4
547.23792	0.4
551.67450	0.1
559.23547	0.9
585.25287	0.2
591.22705	0.2
593.29407	0.2
599.26697	0.6
607.31061	0.2
627.26147	1.3
629.27600	0.2
636.80212	0.1
657.27197	0.3
679.33746	0.2
687.28339	1.1
691.40338	0.2
697.34027	10.3
701.30865	0.2
713.32819	0.2
769.36066	1.5
783.37817	0.4
797.39209	0.4
811.40881	0.3
825.42090	0.2
829.51501	0.4
839.43915	0.2
853.45343	0.4
921.48138	0.3
991.55927	100.0
992.56329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	4.2
69.07444	0.2
69.45363	0.4
69.45777	0.2
70.06605	0.3
71.08614	0.2
74.90025	0.1
79.05503	0.2
81.07057	0.8
83.08615	2.5
85.10177	0.1
85.69247	0.1
91.05476	21.2
95.08619	0.8
97.10163	1.8
105.07018	2.6
109.10152	0.3
111.11707	0.7
117.07017	2.7
119.08584	0.5
123.11665	0.2
125.13268	0.2
129.06985	0.1
131.08559	3.8
133.10132	0.2
139.76007	0.1
145.10091	0.6
210.63823	0.1
233.38263	0.1
260.23785	0.2
302.28400	67.0
303.28671	0.4
318.30206	0.1
320.29453	100.0
321.29764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	0.2
69.09127	0.2
69.09530	0.6
71.07375	2.7
81.07057	0.4
86.09703	29.0
93.06992	0.2
95.08596	0.2
98.23434	0.2
98.98460	2.6
104.10741	2.8
125.00002	19.3
143.01074	0.2
184.07335	100.0
185.07671	0.3
337.27002	0.2
349.55246	0.1
450.21948	0.1
471.78201	0.1
502.32858	1.8
520.33978	23.5
521.34448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	1.2
71.07375	5.5
72.47912	0.3
79.05485	0.6
81.07057	2.8
83.08607	0.5
86.09703	49.2
93.07047	0.6
95.08630	1.9
95.09119	0.4
98.23582	0.6
98.98456	3.9
104.10739	96.0
107.08603	0.6
109.10152	0.9
119.08597	0.3
123.11669	0.3
124.99999	28.9
128.81638	0.3
149.02362	1.1
163.01593	0.7
181.02591	0.4
184.07336	100.0
193.05006	0.5
229.68410	0.4
258.11093	1.0
337.27490	1.2
443.25604	0.5
502.32849	7.6
502.40372	0.4
520.33966	91.7
521.34283	1.2
690.45898	0.3
766.72058	0.4
894.40253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01878	8.8
57.03447	100.0
58.03776	2.4
59.01380	12.3
69.23917	1.7
71.01366	2.6
73.02946	20.7
83.01394	2.7
84.04549	0.8
99.92576	2.5
100.93365	4.2
100.94604	0.8
101.02444	19.7
101.06094	0.5
102.02796	0.7
102.05616	10.5
115.92072	5.2
116.92038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.4
76.37911	0.3
93.03455	0.5
105.46558	0.3
107.01359	0.3
117.03468	2.2
119.04981	0.7
125.02432	0.3
133.02937	0.8
134.03705	0.3
135.04517	0.9
147.04552	0.5
149.02435	0.5
157.10307	0.2
159.04582	0.4
161.02429	1.1
163.00365	0.3
163.03975	1.0
165.01912	0.3
173.05991	0.3
175.03996	1.0
177.01921	0.4
177.05580	0.5
189.01892	0.3
189.05547	0.3
191.03488	1.1
203.03505	0.4
205.05019	0.5
215.03343	0.3
219.19275	0.3
228.20294	0.2
233.04463	0.4
253.05025	0.3
253.08781	0.5
266.27338	0.3
267.06610	0.6
268.07352	0.6
269.04453	0.5
275.05972	0.3
281.04584	0.3
282.05402	0.8
283.06168	1.9
284.03146	0.3
285.04047	1.2
295.06183	2.8
296.06906	1.8
297.04077	1.6
297.07635	10.5
298.04852	1.2
299.05603	0.6
307.06015	0.9
309.04602	0.3
309.07516	1.6
311.05612	2.4
321.07608	0.4
322.04504	0.4
323.05634	2.3
324.06403	0.7
325.07129	4.0
327.05060	4.3
328.05923	1.2
333.07184	0.3
335.05518	0.9
337.07214	1.7
339.04880	0.7
341.06476	0.4
349.07233	0.3
353.06650	21.3
354.06924	0.3
355.08264	0.8
356.05200	0.5
357.06097	4.0
364.25238	0.4
365.06702	3.6
367.08331	0.6
369.06119	0.3
383.07721	16.6
395.07867	2.2
397.09412	0.4
407.07874	0.5
413.08884	2.9
425.08664	1.6
429.07932	0.5
437.08850	0.4
443.09811	7.5
447.09280	9.2
455.09845	1.4
473.10925	5.6
485.10733	0.9
503.11710	0.8
503.27954	0.3
545.13055	0.4
563.14032	100.0
564.14142	1.7
670.38104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	3.3
76.42322	0.7
84.20296	0.7
85.02936	1.0
87.00865	2.8
89.02428	2.3
99.00862	0.8
100.97042	0.8
101.02419	2.2
107.19212	0.8
115.12139	0.9
122.06165	1.6
124.07677	1.9
132.04536	2.0
136.07664	2.6
182.75726	0.7
194.04787	0.9
197.07249	0.7
197.11192	0.8
200.09531	3.2
209.07224	1.9
210.07751	1.0
211.08786	9.3
212.09546	1.4
213.10339	2.7
214.11099	2.1
215.11890	22.5
221.07234	1.1
222.07988	1.3
223.06436	0.7
223.08730	3.3
224.09543	16.5
225.06615	1.4
225.10352	2.2
226.11086	2.0
227.08414	1.1
227.11945	6.6
228.12715	0.8
229.09853	1.2
229.13426	12.3
234.07784	0.8
235.06328	2.0
235.08665	1.5
236.05855	1.1
236.09521	1.0
237.06659	3.0
237.10349	7.9
238.08594	3.7
238.11089	1.9
239.11900	33.3
241.09689	1.6
242.10512	1.4
243.11421	3.4
247.08813	8.8
248.05780	0.9
248.09422	0.8
249.06577	4.2
249.10313	5.7
250.07547	6.4
251.08217	8.8
252.09004	2.0
253.06213	2.9
253.09830	0.8
254.06833	0.8
254.10570	1.0
255.11252	2.9
256.12167	3.9
257.12952	49.0
259.14505	1.2
263.08261	9.1
264.08960	3.5
265.09805	58.7
266.10468	2.9
267.11362	29.5
267.14258	1.1
275.08221	2.6
277.06183	1.7
278.06693	0.9
279.32123	0.8
283.10916	13.9
285.12604	4.3
291.07761	3.4
293.09326	19.2
294.07556	1.0
301.11984	1.3
309.08905	4.2
311.10437	8.0
323.10245	0.9
325.11765	2.0
337.08511	1.5
351.09833	1.7
353.11362	1.1
382.11734	0.8
383.12277	1.0
384.13412	1.6
385.14383	2.0
398.15143	3.0
413.14151	0.9
419.17868	0.9
426.14349	4.8
428.16129	1.6
431.14868	1.6
463.18185	0.7
465.15436	0.8
473.15485	1.0
493.18765	1.8
494.18985	0.9
507.20642	2.9
508.22385	0.9
509.22223	4.4
515.21222	1.6
518.19537	1.5
521.18073	4.3
522.22980	1.0
533.22437	1.7
535.19617	4.4
549.21490	4.1
550.22321	1.5
551.23029	6.4
553.20789	7.8
595.21478	1.4
597.19849	1.1
629.22577	5.0
713.28247	3.2
715.26050	2.5
731.29114	3.2
757.27277	42.6
773.26794	1.5
775.28308	67.8
776.28290	0.9
791.27863	3.5
801.26276	13.2
807.31378	2.7
817.29431	1.6
819.27295	50.9
820.28186	1.4
833.28882	23.7
851.29852	100.0
852.30499	2.0
861.28668	0.9
887.88330	0.9
919.31897	2.7
937.33722	2.0
963.31696	3.1
981.32751	5.0
1013.36523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5213
Annotation	Solanigroside H
Peak:m/z	Relative Intensity
85.02941	12.9
89.02443	17.4
101.02461	16.5
148.05949	8.9
174.81819	10.0
252.64693	10.2
333.08273	9.6
353.25400	9.3
377.47534	9.3
484.70724	9.4
644.91022	10.8
899.47034	14.3
1045.52197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01379	23.5
70.76873	2.4
72.99306	44.9
75.00873	50.0
77.80000	1.3
100.95020	1.4
104.17146	1.7
105.01936	100.0
106.02256	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	1080.6629
Annotation	Unknow
Peak:m/z	Relative Intensity
77.47626	1.1
78.95900	12.6
117.16425	1.4
152.99567	2.6
166.58591	1.3
168.04250	2.9
224.06932	6.9
279.23288	77.7
279.88440	1.4
298.71490	1.5
504.30991	100.0
561.25677	3.3
561.33081	31.0
739.94104	1.5
810.71771	1.3
813.94861	1.3
886.16510	1.3
888.21698	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	1080.6623
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	5.5
81.95773	0.3
82.50831	0.3
87.40769	0.3
96.96947	0.3
113.69084	0.3
133.12656	0.3
152.99576	2.3
156.93787	0.3
163.06407	0.3
168.04309	1.0
224.06856	0.6
242.07953	1.8
279.23276	83.4
391.56998	0.3
433.23703	0.5
502.25488	0.6
504.30954	100.0
505.31207	0.8
561.33063	36.6
789.24408	0.3
859.36395	0.3
890.60406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95432	0.9
78.95901	16.2
78.96333	1.3
78.98576	0.8
79.95741	2.0
80.96519	10.5
82.56889	0.7
94.98095	2.9
96.95978	1.0
109.76278	0.6
122.97606	0.9
134.97556	1.2
134.98502	0.8
148.99084	1.1
152.98558	1.1
152.99576	3.6
164.98619	1.6
168.04314	2.9
205.41649	0.6
224.06934	8.3
225.00723	5.1
242.08054	1.8
253.11513	0.7
279.23294	94.0
283.09485	0.7
504.30969	100.0
512.53973	0.8
577.26886	18.5
578.27069	18.8
578.34943	3.5
827.93866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6781
Annotation	Unknow
Peak:m/z	Relative Intensity
76.90610	0.2
78.95906	5.7
78.98598	0.7
79.95728	1.1
80.96516	8.3
85.02975	0.2
87.00897	0.4
94.98088	2.0
101.02464	0.3
103.01505	0.2
106.98074	0.3
122.97598	0.5
125.02488	0.4
134.97548	0.5
148.99083	1.0
150.04887	0.2
150.67828	0.2
152.98515	0.9
152.99687	1.2
164.98648	1.7
168.04343	1.7
182.99704	0.3
206.99654	0.4
224.06946	1.2
225.00751	3.4
226.01128	0.6
236.35165	0.2
238.20580	0.2
242.07988	2.5
261.22275	0.4
277.21735	0.4
279.23285	100.0
280.23691	0.5
299.04504	0.6
299.85043	0.2
306.08929	0.2
504.30963	90.4
505.31317	0.5
519.27313	0.8
577.26886	13.8
578.27136	13.8
578.34900	4.2
579.26996	0.3
604.18835	0.2
867.98865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05536	0.4
81.03439	0.8
83.01369	2.1
85.02950	1.4
87.00866	0.5
89.01948	0.4
89.02454	6.0
93.03437	0.5
95.01389	0.6
97.02921	0.4
97.06590	0.4
99.04524	10.0
101.01795	0.8
101.02448	10.7
113.02443	4.5
113.06097	0.6
117.03465	1.8
119.03481	2.6
123.04488	3.0
125.02454	7.8
131.03453	0.7
135.04512	0.6
138.06784	0.3
141.05562	0.8
143.03468	1.4
149.02464	0.6
149.04555	0.7
161.02397	1.0
161.04549	2.0
163.04048	0.6
175.04005	0.5
177.05550	0.7
179.05620	2.5
179.10732	0.9
191.03549	0.9
203.03494	0.7
203.10802	1.5
206.09485	1.3
219.02940	0.4
221.04596	0.7
221.11855	3.9
235.35640	0.4
268.07437	0.5
281.04422	0.4
282.05344	1.3
283.06177	2.1
295.06107	2.6
296.06888	2.7
297.07687	11.3
307.05981	1.0
309.07617	1.3
311.05484	1.5
323.05551	1.9
324.06201	0.8
325.07135	4.5
328.05795	1.4
335.05615	0.8
337.07108	2.1
341.06717	0.4
351.05106	0.5
353.06665	23.2
361.79172	0.4
365.06821	3.1
383.07727	20.0
383.16876	2.1
394.90845	0.4
395.07895	1.9
401.18173	9.5
407.07739	0.8
413.08719	3.0
425.08655	3.0
437.08469	0.5
443.09839	5.4
443.19113	3.3
455.10037	0.6
473.10858	4.9
483.21988	1.3
485.10818	0.6
501.23215	1.3
503.12057	1.9
545.22394	100.0
546.22882	0.9
563.14038	55.2
564.14752	0.5
608.04041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01871	24.3
56.02563	5.8
67.01887	75.8
68.02218	7.3
70.04937	14.6
83.01393	79.3
111.00889	100.0
111.02001	22.9
114.83173	6.5
117.09597	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01880	17.5
66.89491	2.9
67.01892	63.8
68.01413	3.7
68.02219	4.0
70.03625	5.4
74.88038	3.0
78.95907	37.2
83.01377	45.3
84.01707	3.0
85.54420	2.9
104.93996	2.7
105.79364	2.8
111.00886	100.0
111.02045	5.7
112.01212	6.0
126.11592	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	112.9881
Annotation	Acetylenedicarboxylate
Peak:m/z	Relative Intensity
53.72224	0.8
55.01869	2.3
57.03446	8.2
58.59388	0.9
67.75380	0.8
68.99567	100.0
69.03448	1.8
69.72969	2.9
72.99301	5.6
83.01360	1.4
83.23035	0.9
84.02158	3.5
85.02456	1.6
85.02946	22.7
112.98698	5.1
113.02448	4.5
113.03567	1.1
114.01909	0.8
114.05589	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	112.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72224	0.8
55.01869	2.3
57.03446	8.2
58.59388	0.9
67.75380	0.8
68.99567	100.0
69.03448	1.8
69.72969	2.9
72.99301	5.6
83.01360	1.4
83.23035	0.9
84.02158	3.5
85.02456	1.6
85.02946	22.7
112.98698	5.1
113.02448	4.5
113.03567	1.1
114.01909	0.8
114.05589	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	1123.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
78.09645	0.5
78.95902	48.8
96.96947	3.4
108.77052	0.5
134.39732	0.5
150.98004	0.9
152.99588	64.4
171.00645	17.7
227.03247	3.2
245.04301	76.4
245.44099	0.5
253.21729	34.5
263.79782	0.5
402.71103	0.5
481.25723	100.0
482.25699	0.6
536.23737	0.5
735.87231	0.5
752.07300	0.5
795.23053	1.3
895.44934	0.6
1123.49023	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03439	0.7
101.02433	1.2
117.03450	2.7
135.04507	1.2
161.02429	1.0
175.03963	0.8
177.05573	1.1
178.88139	0.5
191.03493	0.7
203.03502	1.2
221.04495	0.7
251.06956	0.6
267.06424	0.5
268.07443	0.5
275.83072	0.5
281.04440	0.8
282.05371	1.6
283.06018	1.8
295.06027	2.3
296.07016	2.3
297.07678	11.8
307.06097	1.7
309.07596	1.8
311.05475	1.4
323.05646	3.2
325.07077	4.8
328.05850	1.2
335.05826	0.7
337.07190	2.3
353.06631	27.2
355.08047	1.2
356.05533	0.6
365.06729	4.2
369.20175	0.5
379.08057	0.9
381.05841	0.5
383.07706	24.2
395.07648	2.1
397.09073	0.8
407.07730	1.0
413.08752	4.5
425.08826	3.1
443.09952	4.4
455.09293	0.5
473.10773	3.2
503.11920	2.1
545.12653	0.8
563.14038	100.0
564.14087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.5
57.03444	35.7
58.02973	5.0
59.01367	4.1
62.40720	2.9
63.81116	3.1
64.43880	3.1
68.99575	57.3
69.03452	27.7
69.36011	16.8
71.01372	6.3
72.00915	16.4
72.99316	4.8
83.01373	5.9
84.02161	15.2
85.02951	100.0
86.03292	4.1
95.01387	3.5
95.95216	4.2
98.21899	8.1
113.02454	20.3
114.01990	17.2
114.05594	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
52.07172	2.4
55.49694	2.1
69.37823	10.2
71.01380	100.0
78.81266	2.1
87.00838	2.5
107.04061	2.4
115.00374	8.4
116.07181	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03983	4.3
59.01375	4.8
65.22024	3.4
71.01377	100.0
71.04992	7.7
73.04066	11.9
87.00878	7.2
102.07571	4.5
110.44676	3.6
114.93452	9.2
115.00349	17.8
115.04012	9.6
116.02554	11.9
116.07184	22.9
120.46606	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40731	2.4
57.01826	3.0
59.01364	13.0
62.15748	2.8
62.84947	3.1
66.00803	2.7
70.59573	6.2
71.01381	100.0
71.05013	3.6
72.01691	3.9
78.16374	3.4
87.00854	5.3
115.00385	21.1
116.02496	3.7
116.07176	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.42656	3.5
64.47998	3.1
68.99556	4.8
69.87560	12.1
71.01380	75.6
71.05039	16.0
73.04075	5.4
79.57581	3.3
82.31497	3.0
83.01407	3.1
87.00880	34.1
89.01441	3.9
97.93124	3.7
114.93429	13.8
114.99602	5.6
115.00356	34.1
115.03999	12.5
116.02548	11.6
116.07174	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0718
Annotation	L-Valine
Peak:m/z	Relative Intensity
51.96207	0.6
57.81478	0.6
59.01375	1.4
69.37401	2.9
71.01375	1.1
73.02943	100.0
73.34943	0.7
78.90431	0.6
82.20049	0.7
89.01454	0.9
89.75576	0.7
99.00877	9.9
99.92576	9.5
115.92075	1.2
116.02566	2.2
116.07174	78.0
116.92858	34.3
117.01938	18.2
117.07533	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	116.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96207	0.6
57.81478	0.6
59.01375	1.4
69.37401	2.9
71.01375	1.1
73.02943	100.0
73.34943	0.7
78.90431	0.6
82.20049	0.7
89.01454	0.9
89.75576	0.7
99.00877	9.9
99.92576	9.5
115.92075	1.2
116.02566	2.2
116.07174	78.0
116.92858	34.3
117.01938	18.2
117.07533	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01873	0.8
71.01385	0.8
73.02944	100.0
74.03269	3.1
77.76036	0.4
95.36929	0.4
99.00883	8.9
100.01236	0.5
116.92861	0.8
117.01937	14.5
118.02264	0.5
135.05119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87429	0.3
54.73023	0.3
55.01877	0.8
57.76934	0.4
66.05369	0.4
70.33628	0.7
73.02943	100.0
74.03274	2.6
95.55848	0.4
96.28114	0.4
98.22589	0.4
99.00877	8.1
99.92587	2.8
103.72870	0.4
109.67695	0.4
116.92863	9.9
116.93692	0.6
117.01939	16.1
117.92840	0.7
118.02262	0.6
125.08764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
83.23161	0.3
87.27852	0.3
93.03445	0.5
98.22581	0.6
98.64920	0.3
109.02962	0.5
117.03468	2.4
119.05024	0.5
132.49234	0.4
133.02959	2.6
135.04527	1.5
147.04501	0.7
149.02461	0.8
151.04012	0.3
158.00179	0.3
159.04558	0.7
161.02441	1.2
162.03209	0.5
163.04002	1.3
171.04568	0.4
171.89136	0.3
173.05971	0.5
174.03215	0.3
175.03998	1.6
177.01968	0.8
177.05536	1.2
179.03464	0.5
187.04002	0.5
189.01871	0.6
189.05574	0.9
191.03500	0.9
203.03487	1.3
205.01573	0.5
205.05045	1.0
215.03506	0.5
217.04973	0.6
221.04529	0.7
233.04561	0.9
239.06976	0.4
251.07309	0.5
253.45395	0.3
254.05887	0.5
265.05115	0.4
265.08762	0.4
267.06775	0.6
268.07449	0.6
269.04572	0.3
281.04425	1.0
282.05347	1.4
283.06161	2.8
284.03473	0.4
294.05283	0.4
295.06088	3.2
296.06912	1.9
297.04303	1.0
297.07660	13.5
298.04810	2.6
299.05484	1.0
307.06195	1.6
309.04178	0.7
309.07599	1.7
309.10608	0.3
310.04660	0.4
310.63705	0.3
311.05554	5.0
312.06467	3.0
313.07150	3.4
323.05576	3.1
324.06357	0.7
325.03571	0.4
325.07172	5.8
327.05045	1.9
328.05737	1.4
335.05655	1.7
337.07190	1.9
339.05154	5.4
339.08966	0.4
341.03226	0.3
341.06686	2.0
351.04990	1.3
353.06647	34.5
355.08063	0.8
365.06613	3.7
367.03891	0.4
367.08276	0.6
369.06128	19.2
371.07623	0.4
377.06711	0.4
381.06235	2.5
383.07718	22.6
384.07956	0.4
395.07669	3.5
397.09668	0.4
399.07172	14.8
411.07285	2.7
413.08743	3.6
419.55270	0.3
423.06863	0.4
425.08698	2.0
429.08206	3.4
435.06955	0.6
437.08923	0.6
441.08563	1.5
443.10324	0.5
453.08026	0.8
455.09866	1.3
459.09277	2.5
471.09174	0.6
473.04535	0.7
473.10901	8.5
485.11163	0.5
489.10370	4.9
503.11923	2.6
519.11200	0.8
579.13525	52.6
580.13684	0.7
593.15100	100.0
594.15161	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	1173.294
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03490	0.2
83.01398	0.3
89.04008	0.2
91.01954	0.2
91.05529	0.3
93.03489	0.6
98.21896	0.2
101.02473	0.2
107.01413	0.2
109.02944	0.9
116.98886	0.1
117.03453	1.7
119.05046	0.5
121.02939	0.3
123.04563	0.2
125.02409	0.3
131.05092	0.3
132.02187	0.3
133.02951	3.9
133.06627	0.4
134.03787	0.4
135.04507	1.3
137.02501	0.2
145.02966	0.5
147.04570	0.5
149.02417	0.9
149.06079	0.4
149.34865	0.1
150.03249	0.2
151.04028	0.4
154.82654	0.2
159.04533	0.5
161.02435	1.4
161.06001	0.2
162.03206	0.3
163.03992	1.2
165.01953	0.3
173.02467	0.4
173.06071	0.4
175.04012	1.5
177.01920	1.2
177.05511	0.9
179.03503	0.5
182.03726	0.2
185.02328	0.3
187.04086	0.5
189.01947	0.7
189.05606	0.6
190.02768	0.3
191.03513	1.4
193.01198	0.2
193.04994	0.2
196.07018	0.2
196.28079	0.2
197.06073	0.2
199.04005	0.3
201.01952	0.5
201.05597	0.3
203.03461	1.1
205.01419	0.4
205.05052	0.9
209.06079	0.2
210.06822	0.2
213.05580	0.6
214.18074	0.2
215.03494	0.6
217.05058	0.6
221.04520	0.6
223.07616	0.2
224.08475	0.2
225.05698	0.4
227.03529	0.4
231.02939	0.3
233.04587	1.0
235.02515	0.4
235.05920	0.2
239.03484	0.2
239.07121	0.4
241.05000	0.5
243.06552	0.3
245.04524	0.5
251.07231	0.4
253.05028	0.3
253.08774	0.4
254.05870	0.2
255.03186	0.2
255.06624	0.3
257.04456	0.3
265.05209	0.4
267.06641	0.9
268.04373	0.2
268.07440	0.5
269.04520	0.5
279.06577	0.2
281.04547	0.6
282.05301	1.3
283.06113	2.9
284.03281	0.3
284.06607	0.2
285.04260	0.4
291.06546	0.2
293.04724	0.3
293.07864	0.3
294.05508	0.3
295.06088	3.3
296.06812	2.0
297.04129	1.6
297.07623	11.3
298.04800	4.9
298.08179	0.3
299.05594	1.9
305.04733	0.3
306.05206	0.2
307.06094	1.4
309.04068	0.8
309.07718	1.0
310.04742	0.8
311.05576	5.8
312.03601	0.1
312.06366	5.5
313.07153	5.7
319.06320	0.2
321.04071	0.3
321.07748	0.3
323.05582	3.5
323.09119	0.3
324.06375	0.8
325.03705	0.4
325.07147	5.5
327.05054	3.2
327.08719	0.2
328.05859	1.4
335.05548	1.2
337.03604	0.2
337.07169	1.8
338.04340	0.3
339.05090	7.2
340.05768	0.3
341.06628	4.0
344.05325	0.7
351.05017	1.0
353.06638	28.8
354.07050	0.3
355.04242	0.2
355.08234	0.7
356.05408	0.4
357.05939	0.9
365.06592	3.2
367.04477	0.5
367.08331	0.5
369.06128	28.9
370.06497	0.4
371.07727	0.5
377.06482	0.4
379.08548	0.3
381.06097	3.9
383.07693	21.1
393.06186	0.3
395.07724	3.3
397.04947	0.3
397.09204	0.5
399.07169	28.7
400.07532	0.3
405.06174	0.2
407.07718	0.4
411.07196	3.8
413.08789	3.9
419.07629	0.2
423.07394	1.2
425.08749	1.5
429.08231	7.2
435.07092	0.5
437.08734	0.6
441.08295	2.6
443.09711	0.4
453.08237	1.6
455.09863	1.1
459.09280	2.8
471.09354	2.2
473.10840	6.9
483.09326	0.4
485.11206	0.3
489.10388	10.4
493.65640	0.2
501.10611	0.5
503.11942	2.2
515.12396	0.3
519.11298	1.9
543.11255	0.2
561.12738	0.6
575.13928	0.3
578.12396	0.2
579.13495	100.0
580.14099	1.0
593.15076	77.5
594.15662	0.7
642.33185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.035
Annotation	D-Threose
Peak:m/z	Relative Intensity
50.77410	1.8
51.93509	1.8
55.01880	13.0
59.01376	22.2
60.07633	2.1
70.08893	2.2
70.09242	4.4
71.01379	32.7
72.99306	22.9
73.02946	14.4
75.00871	22.9
80.26072	1.7
98.21905	2.3
99.00879	6.0
101.02440	18.4
117.01994	2.6
119.03503	100.0
120.03842	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	119.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77410	1.8
51.93509	1.8
55.01880	13.0
59.01376	22.2
60.07633	2.1
70.08893	2.2
70.09242	4.4
71.01379	32.7
72.99306	22.9
73.02946	14.4
75.00871	22.9
80.26072	1.7
98.21905	2.3
99.00879	6.0
101.02440	18.4
117.01994	2.6
119.03503	100.0
120.03842	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.06258	0.5
54.97293	0.5
59.01398	0.5
60.55201	0.5
69.21934	3.1
70.50198	0.5
82.98677	0.5
91.05556	0.9
93.03448	2.7
116.13930	0.5
119.05026	100.0
120.05357	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40936	2.1
53.14268	1.5
53.65244	1.7
55.01875	4.6
57.03451	24.9
65.94623	1.7
66.51397	1.6
67.01892	44.8
73.02932	2.6
78.17800	1.6
82.02991	3.8
83.01403	2.1
84.04626	1.6
85.02969	4.0
95.75446	1.6
111.00875	1.9
128.03545	100.0
129.01944	3.8
129.03859	3.7
137.78860	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11463	2.6
55.01879	3.7
57.03437	16.2
61.18251	2.6
62.27145	2.9
67.01893	23.8
68.99825	3.4
85.02953	91.5
86.03293	5.1
88.04042	31.4
124.14878	2.8
129.01918	10.9
129.03874	8.7
130.05060	4.4
130.08743	100.0
148.72534	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39584	0.4
55.01869	1.8
57.03448	6.4
59.01359	1.1
67.01889	13.9
68.02223	0.8
68.99817	3.5
70.27035	0.7
71.01382	1.9
72.99308	1.1
73.02946	2.2
83.01376	1.1
85.02953	1.7
87.00858	0.9
88.04032	1.3
93.32788	0.3
94.37787	0.3
96.99319	0.4
99.00880	0.6
101.02441	0.6
105.60258	0.3
111.00864	0.6
129.01939	3.1
130.08737	100.0
139.69090	0.4
143.34839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	1-Oxa-2-oxo-3-hydroxycycloheptane
Peak:m/z	Relative Intensity
60.15681	10.4
60.83224	11.2
63.99807	11.2
68.82004	9.7
71.88287	10.5
73.02929	11.9
83.70615	10.1
88.04077	12.4
93.11559	10.8
94.28428	11.3
128.90161	23.1
129.01921	20.4
129.05580	79.1
130.08748	100.0
140.25175	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	129.0559
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
57.03445	16.0
60.70388	10.7
66.21037	12.0
69.59055	36.9
85.06599	47.2
95.06648	12.9
98.21883	16.7
129.05585	100.0
130.08743	44.2
130.47450	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	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09415	1.5
54.40776	1.6
68.71484	1.6
69.21073	9.2
84.08206	1.9
88.60396	1.4
102.51453	1.6
102.96532	1.7
130.08739	100.0
131.08250	9.9
131.09105	3.7
143.42131	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	131.0503
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.50554	0.5
57.03444	1.3
59.01377	1.5
61.98804	1.2
63.66045	0.5
68.99809	1.4
71.01381	1.3
73.02939	5.5
75.00847	0.5
75.43822	0.5
77.29623	0.4
85.02940	3.4
85.06574	2.5
87.04513	9.7
88.04034	1.4
98.22707	0.8
98.42682	0.5
101.02453	0.7
102.04748	11.0
102.05373	0.9
103.05537	19.2
104.05885	1.1
113.02438	1.5
121.06622	0.6
130.04240	71.9
131.03458	3.6
131.05034	100.0
132.04491	0.8
132.05374	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	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03445	1.3
59.01376	3.0
61.98819	6.5
68.99815	18.2
69.03455	10.9
70.39962	2.6
71.01366	2.1
72.99274	1.3
73.02943	8.2
74.73112	1.3
83.22878	1.1
85.02939	10.0
85.06587	100.0
86.06913	2.8
87.04513	26.4
92.24818	1.0
92.67057	1.2
101.02402	1.5
106.80178	1.2
113.02455	1.8
113.06098	3.8
129.05620	2.1
131.03494	6.9
131.07135	55.2
132.07481	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	131.0827
Annotation	D-Ornithine
Peak:m/z	Relative Intensity
58.28037	1.7
59.01378	1.6
60.07019	1.8
70.88239	1.7
71.01374	4.6
73.02937	4.6
78.14395	1.8
85.02960	3.3
87.04524	17.6
88.04044	12.3
94.04501	1.6
110.42455	1.6
113.02387	1.6
115.00378	4.4
131.03493	5.4
131.08260	100.0
132.03035	4.0
132.08612	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	132.0304
Annotation	Aspartate
Peak:m/z	Relative Intensity
52.04681	0.7
59.01378	1.1
70.56293	1.3
71.01376	17.5
72.00903	2.8
72.99343	0.8
85.39279	0.8
88.04039	100.0
89.04381	2.5
103.33707	0.9
104.25156	0.8
107.24771	0.7
114.02009	4.5
115.00375	27.2
132.03023	27.6
133.03404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.96022	1.1
56.36847	1.2
59.01369	1.3
70.90863	1.2
71.01382	69.5
71.20286	1.3
72.01735	1.2
72.99309	15.6
87.00874	2.0
87.04532	1.3
89.02435	7.8
115.00376	100.0
116.00730	4.2
133.01430	26.5
133.05028	1.4
143.35687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53278	1.0
57.79977	0.9
59.01373	2.3
61.80788	1.2
63.84848	1.0
69.39424	3.8
71.01379	75.7
72.01714	1.3
72.99310	16.7
87.00851	2.2
87.38931	0.9
88.09046	1.0
89.02441	7.1
115.00372	100.0
116.00699	4.3
122.19651	1.1
124.38541	1.2
133.01434	24.9
134.01788	2.0
145.56787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.5
64.33667	1.0
69.03784	0.9
69.48020	1.8
69.48382	3.1
71.01380	66.6
72.01719	1.5
72.99303	17.4
75.61007	0.8
87.00864	1.8
89.02449	7.6
115.00372	100.0
116.00730	4.7
133.01430	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	133.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60343	1.6
56.66406	2.1
65.00321	3.0
69.13067	12.8
71.01001	2.9
71.01381	24.8
72.99319	4.4
77.03958	26.4
89.02462	3.3
89.03973	9.9
95.05027	29.4
100.61465	1.8
105.03459	84.8
106.03802	5.5
108.00339	1.7
115.00368	42.2
121.02862	1.7
123.04536	5.2
132.02203	14.8
132.91550	1.9
133.01414	7.6
133.02959	100.0
134.03300	5.9
134.04691	2.8
136.21294	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
57.01654	1.6
64.58595	1.7
65.00315	4.3
69.13975	1.6
69.14312	11.9
71.01371	17.8
72.99295	3.3
76.47381	2.0
77.03967	24.9
89.03966	6.8
95.05016	29.5
98.21746	3.4
105.03463	78.1
106.03800	2.5
115.00361	21.3
123.04566	3.5
124.23270	1.7
132.02164	16.7
133.01389	4.4
133.02951	100.0
134.03302	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45793	0.4
65.01446	0.9
68.02545	0.7
70.62372	0.5
80.02516	0.4
92.02544	7.6
99.36960	0.4
107.03638	26.0
108.03963	0.9
126.09210	0.4
131.61848	0.3
134.04732	100.0
135.05060	3.2
137.59831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01439	0.6
65.73781	0.5
68.02510	0.9
70.65174	1.0
92.02533	6.2
107.03637	27.8
108.02219	0.6
108.04007	0.8
114.50752	0.6
116.00705	0.7
134.04726	100.0
134.86537	5.3
134.89462	4.3
135.04349	7.8
135.05298	0.7
135.17189	0.6
154.34998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01379	11.1
71.01390	4.6
72.99303	10.9
75.00870	100.0
76.01205	1.8
78.95903	0.7
87.00873	1.0
89.02441	7.7
95.95204	2.7
100.87907	0.4
107.05058	0.8
107.38768	0.4
117.01952	2.3
134.86552	2.0
134.91609	9.4
135.03000	29.8
135.04512	3.6
136.03331	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	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.1
71.01390	4.6
72.99303	10.9
75.00870	100.0
76.01205	1.8
78.95903	0.7
87.00873	1.0
89.02441	7.7
95.95204	2.7
100.87907	0.4
107.05058	0.8
107.38768	0.4
117.01952	2.3
134.86552	2.0
134.91609	9.4
135.03000	29.8
135.04512	3.6
136.03331	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
59.89030	0.4
70.98338	0.4
78.72533	0.4
81.03459	2.5
82.80808	0.4
93.03457	41.4
94.03790	2.5
99.92554	0.6
101.74947	0.4
108.02177	5.7
109.02988	3.0
119.01408	0.8
123.03272	1.8
136.00687	0.8
136.01662	8.8
136.86293	0.5
136.89174	12.6
137.02443	100.0
137.89180	0.7
138.01842	2.5
138.02863	6.0
138.05609	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	16.4
55.01873	4.3
59.01376	26.9
59.20879	3.3
68.99812	4.8
70.03243	8.7
71.01385	61.3
74.04948	3.6
74.20960	3.4
75.17928	2.9
79.52778	3.7
80.99837	6.4
83.01364	3.9
85.02960	14.3
87.00887	14.7
96.99297	24.9
97.02952	5.3
99.04548	5.7
100.04865	3.3
112.98808	31.9
113.07010	3.3
115.00369	5.9
115.82171	3.1
124.98814	66.3
140.98351	11.5
142.99860	100.0
143.03561	6.0
144.00217	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	16.2
55.16819	2.5
59.01373	7.6
60.08905	2.5
62.21780	2.2
68.99811	2.7
70.61838	4.1
71.01384	37.4
71.05007	3.0
72.99313	4.5
80.99815	3.8
83.01397	7.7
87.00890	8.0
89.01453	2.7
96.99322	13.3
99.04501	11.2
102.05613	4.3
112.98816	20.1
115.00403	7.6
115.04014	5.4
115.73798	2.3
119.25180	2.4
124.98807	44.6
140.98267	14.6
142.99866	100.0
143.03506	9.5
143.04506	2.9
143.10854	4.3
144.04576	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
57.03447	2.5
59.01372	5.0
60.56174	1.6
69.03452	3.8
71.01376	9.1
71.05016	4.6
72.99307	51.7
75.81051	1.6
76.85534	1.4
81.03425	1.9
81.81514	1.8
83.01373	2.2
85.02950	8.5
87.00872	3.8
87.04498	1.8
89.01465	4.4
96.99279	2.2
97.02943	3.1
97.06589	47.7
98.06963	1.8
99.04517	19.9
99.08151	4.8
102.05582	1.7
112.38139	1.5
115.03995	11.0
116.02542	4.5
125.02443	1.6
125.06084	100.0
126.06389	4.7
129.80734	1.5
140.98383	1.9
142.99806	3.4
143.02486	9.1
143.03554	17.7
143.07126	34.0
143.10765	6.8
144.04553	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.89239	0.4
59.01360	0.5
61.98846	0.5
66.19157	0.4
70.98633	0.4
70.98963	0.4
71.01373	1.1
71.37988	0.4
83.05018	0.7
87.00887	0.6
92.65247	0.4
99.04497	0.4
99.08178	0.6
100.07742	0.4
101.06035	0.8
114.85621	0.3
115.00358	0.6
116.05080	0.8
144.04553	100.0
144.96477	0.5
145.04926	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
52.62586	0.4
57.56998	0.4
59.01374	0.8
60.93963	0.5
61.98821	0.9
70.73351	0.7
71.01377	2.0
71.04963	0.4
83.01385	0.5
83.05028	1.9
87.00868	1.0
94.36509	0.4
96.93089	0.4
99.92574	0.9
100.07687	0.7
101.05490	0.6
101.06074	3.6
115.00350	1.0
116.05063	1.0
126.03507	0.5
127.00361	0.6
144.04555	100.0
145.01486	1.0
145.04942	6.5
145.09805	0.7
156.06487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
51.78072	0.3
59.01379	0.9
61.98825	1.2
70.44746	0.5
71.01412	0.4
83.05029	0.5
99.08208	0.4
99.92584	2.2
100.07689	0.5
101.06124	0.4
102.05692	0.4
109.95852	0.4
116.05073	1.7
126.03468	0.7
142.02998	0.6
143.86496	2.1
144.04552	100.0
144.96465	0.5
145.03038	0.5
145.04916	6.3
145.08670	0.5
161.87540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73264	0.6
69.50775	2.6
71.01388	1.2
82.84313	0.7
87.00869	1.0
89.03965	0.9
101.06097	0.8
117.03464	100.0
118.03011	1.0
118.03789	6.3
145.02953	61.4
146.02422	2.4
146.03442	3.2
156.61949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0293
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.95860	0.8
69.19360	1.8
69.19759	2.3
91.84272	0.7
96.36604	0.7
98.21792	1.4
99.23744	0.7
117.03465	100.0
118.03071	1.0
118.03773	5.4
126.12002	0.9
145.02950	51.1
146.03293	2.9
161.91518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
59.01383	2.3
68.07573	1.5
70.46362	2.0
71.01376	3.3
83.01393	1.9
83.05032	2.6
87.00876	3.0
92.43661	1.3
97.06606	3.2
99.08156	100.0
100.08462	2.8
101.06104	3.9
115.00381	3.0
118.03011	3.6
119.83566	1.4
138.14622	1.6
141.17218	1.5
143.07195	1.5
144.96461	1.8
145.01472	1.3
145.02983	3.1
145.04979	18.8
145.08713	48.0
145.09892	2.3
146.02493	10.8
146.09079	2.1
157.84108	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	145.0984
Annotation	L-Lysine
Peak:m/z	Relative Intensity
52.48029	0.3
58.02962	0.3
59.01369	0.3
69.09571	1.8
71.01373	0.5
72.00906	0.3
74.02473	1.6
75.83171	0.3
82.02988	0.7
84.04540	2.0
85.02957	1.3
88.88481	0.2
97.07693	0.4
98.02473	0.4
100.04039	0.6
101.02444	0.5
101.07224	0.5
102.05606	100.0
109.04091	1.2
121.17392	0.2
127.05148	1.8
128.03540	39.4
145.06189	1.6
145.09827	18.5
146.02486	1.2
146.04587	17.4
146.10165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.67699	1.3
57.40648	1.1
59.01389	5.5
59.27474	1.1
59.61763	1.1
69.53605	1.0
69.82384	2.4
69.82702	1.3
71.01366	1.6
74.02451	1.5
76.85293	1.1
86.45786	1.2
89.09630	1.3
102.05606	100.0
128.03529	41.6
130.57257	1.3
146.04599	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	147.03
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03446	19.5
59.01390	16.0
71.01382	95.2
71.25072	3.0
72.01698	3.3
75.00854	2.0
78.01008	2.0
85.02948	56.7
87.00880	78.2
99.00907	3.4
101.02441	5.9
101.06081	3.1
102.05627	3.3
103.04024	19.8
103.05972	8.7
115.00377	100.0
118.06710	2.0
118.74455	2.1
129.01956	17.4
129.03893	3.9
130.40825	1.9
145.95189	1.9
147.03001	37.1
147.04761	2.7
147.06679	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	147.03
Annotation	Citramalate
Peak:m/z	Relative Intensity
51.49359	1.0
57.03448	21.4
57.86736	1.0
58.86523	0.9
59.01381	18.1
69.67207	2.9
71.01377	10.5
71.05025	10.7
72.99318	1.9
75.00874	2.6
83.05009	5.2
85.02951	65.4
86.03296	2.8
87.00879	100.0
88.01199	2.3
92.38515	1.1
99.00860	2.4
101.02440	3.4
101.05523	1.6
101.06089	14.8
103.04003	9.1
115.00372	3.0
129.01039	1.9
129.01932	16.7
137.76399	1.1
147.03000	37.0
147.06621	19.0
148.03279	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	147.03
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03442	34.5
59.01387	11.9
64.65984	1.9
67.00259	1.7
67.04000	2.1
70.03737	4.5
71.01380	87.1
75.00849	2.3
85.02950	94.2
86.03278	2.8
87.00876	100.0
88.01225	3.3
98.22590	2.0
98.81298	1.9
99.00913	2.2
101.02442	24.7
102.05643	2.3
103.04012	39.7
103.05912	10.6
115.00375	89.0
116.00688	2.5
129.01941	84.7
129.03868	5.8
130.02223	4.6
147.02989	44.3
147.04797	2.1
148.03375	3.0
158.11658	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	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03444	13.6
58.77075	1.6
59.01376	16.7
70.02985	3.2
71.01379	94.5
72.01732	1.8
75.00870	5.4
83.01414	1.4
85.02953	41.8
87.00877	55.5
89.02433	2.4
92.96014	1.7
99.00865	9.7
100.04054	3.9
101.02444	6.5
103.04015	15.7
103.05955	5.3
107.81228	1.6
115.00375	100.0
116.00705	3.2
129.01936	17.1
129.03841	1.7
139.31636	1.5
147.01994	3.2
147.02986	26.4
147.04521	9.7
147.06639	1.4
148.04375	7.2
152.11819	1.4
155.15038	1.8
168.19997	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	147.0452
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
50.36148	0.4
59.01376	1.5
61.98829	23.2
62.88731	0.4
67.68328	0.4
68.50378	0.5
69.78080	1.1
69.78401	0.4
71.01380	1.1
93.03455	1.2
98.22668	0.5
99.00874	1.1
117.03461	0.7
119.05029	8.0
127.20077	0.4
129.03445	3.4
147.04523	100.0
148.04877	5.6
168.68620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
53.42141	0.4
53.89238	0.5
59.01359	0.6
61.98829	8.2
69.12313	1.5
69.12735	1.4
71.01400	0.4
93.03456	1.7
94.52696	0.4
94.75827	0.4
99.00883	1.1
119.05040	7.4
123.91664	0.4
127.22574	0.4
129.03429	3.5
147.04524	100.0
148.04871	4.6
153.07260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
56.31754	1.5
59.01374	9.6
61.98829	100.0
70.02999	2.7
70.66100	2.5
71.01376	11.7
72.99301	1.6
74.72267	1.5
75.00843	2.4
76.03318	1.6
77.00386	1.5
85.02969	4.4
90.34477	1.7
92.96011	1.9
95.05024	1.9
99.00874	10.9
103.03986	1.8
103.56256	1.8
119.05042	2.2
147.02000	7.0
147.03035	3.5
147.04523	41.7
147.05632	3.3
147.06657	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	149.0455
Annotation	alpha-D-arabinopyranose
Peak:m/z	Relative Intensity
52.41550	1.6
59.01381	18.7
59.14729	1.7
63.96240	1.9
71.01375	14.3
71.17627	2.4
72.99304	8.8
73.02950	11.4
75.00871	100.0
87.00873	5.2
89.01928	3.0
89.02439	34.5
103.04005	4.8
127.28634	1.8
130.52913	1.7
131.03499	9.2
148.96698	1.7
149.04561	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	Phenylpropanoate
Peak:m/z	Relative Intensity
57.09535	0.8
63.61283	0.8
70.46339	1.2
70.46658	0.8
82.57752	0.8
94.99300	7.2
96.03295	0.8
102.04769	4.4
103.05540	11.6
104.97739	3.5
121.02957	0.9
130.04245	60.0
131.05035	100.0
132.04492	0.8
132.05338	5.0
148.69487	0.9
148.96687	2.9
149.06079	7.1
163.62172	0.9
167.01602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44141	2.5
58.97194	3.9
59.01372	6.4
69.16893	14.8
71.01387	3.0
71.89126	2.4
76.98225	2.5
82.88733	2.4
89.02436	4.1
93.03427	2.6
94.98712	5.4
94.99306	100.0
104.55067	2.4
104.97743	36.6
121.02956	19.5
148.92435	3.8
148.96715	40.3
149.02412	12.6
149.03502	3.8
149.06076	2.9
150.00223	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	150.0422
Annotation	Guanine
Peak:m/z	Relative Intensity
59.01384	5.0
65.99837	0.6
66.00961	7.2
68.03191	0.5
71.01382	8.1
73.02930	1.7
73.40620	0.6
78.00967	1.7
82.04086	1.3
85.02943	0.8
89.02457	3.7
90.00980	1.5
101.02457	4.4
107.03640	7.8
107.05015	1.0
108.02049	13.3
108.04562	0.8
112.98030	0.5
119.03516	0.6
122.06099	1.1
123.04517	2.1
126.03084	13.6
127.43282	0.6
133.01563	100.0
134.01901	2.1
136.01646	13.2
150.00169	1.5
150.04216	37.5
150.05537	3.2
150.98871	2.4
151.02617	4.3
151.04022	4.1
151.06110	1.8
152.96838	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.28431	0.2
62.08264	0.2
87.22050	0.2
92.02682	2.3
95.01399	0.6
107.05016	0.5
108.02171	4.7
109.02965	0.4
123.04528	0.4
136.01654	100.0
137.01990	3.2
151.04001	10.2
152.04329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9953
Annotation	Hydroxyacetone phosphate
Peak:m/z	Relative Intensity
50.44160	1.4
66.37269	1.9
69.94698	2.8
69.95033	3.1
78.95900	54.6
80.96513	2.3
81.03440	2.0
82.02979	4.7
82.91380	1.6
83.01381	2.1
85.00430	5.0
93.60294	1.7
95.01355	2.0
96.96949	5.9
97.02953	1.8
107.97462	1.9
108.93048	2.1
109.02946	24.7
110.00072	4.5
110.81529	1.5
123.00874	5.6
124.01662	3.0
125.02464	5.0
126.00956	3.8
136.49680	1.7
137.99574	2.9
152.98331	2.9
152.99580	59.0
153.00780	3.6
153.01926	15.0
153.03058	3.9
153.05577	4.2
153.86858	100.0
154.01462	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	154.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03482	1.8
67.03008	6.1
69.71943	1.4
69.72334	1.1
72.00910	10.5
74.02454	1.4
80.03791	8.4
81.04579	13.2
82.02979	1.3
83.01376	1.0
93.04578	72.0
94.04904	1.9
95.60880	0.5
108.05682	9.1
109.04078	4.4
109.05981	0.6
110.07242	18.4
111.00850	0.9
118.04125	2.4
124.01666	0.9
136.04123	1.2
136.05159	9.1
137.03564	41.7
137.44391	0.6
138.03938	1.1
151.03830	0.7
154.06221	100.0
155.06555	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	154.0623
Annotation	L-Histidine
Peak:m/z	Relative Intensity
51.40502	0.5
56.32313	0.5
66.03482	2.2
66.17197	0.5
67.03005	5.4
70.78493	0.6
71.01376	8.4
72.00904	11.3
74.02464	0.8
77.68570	0.7
78.95901	15.3
80.03805	10.6
81.04581	11.9
82.02975	0.7
93.04578	75.1
94.04192	0.5
94.04912	1.2
96.96030	3.7
96.96957	17.0
108.05679	9.2
109.04079	4.5
110.07240	17.0
111.07581	0.6
111.92650	0.6
112.92361	0.9
113.31498	0.6
118.04116	2.5
124.01652	1.0
136.05161	9.6
136.91794	1.9
137.03568	42.6
138.03848	1.1
154.01299	4.3
154.06221	100.0
154.91608	1.0
155.06599	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	156.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32359	0.3
59.01377	100.0
60.01719	1.0
60.56454	0.3
68.99808	0.4
69.03433	0.5
69.53772	1.3
75.30606	0.3
78.39361	0.4
86.82022	0.3
97.50182	0.3
98.06674	0.3
98.22684	0.4
99.00915	0.5
115.00397	0.7
115.05989	0.4
120.06641	0.3
127.00388	0.5
131.02052	0.3
157.08720	1.1
157.12431	0.6
158.08232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84134	0.2
57.03438	0.3
59.01377	100.0
60.01721	0.7
66.80695	0.2
68.78706	0.2
70.60148	0.5
73.90022	0.2
78.19508	0.2
78.95909	3.0
84.99323	0.3
86.02422	0.2
96.96030	1.4
96.96954	3.7
98.95578	0.2
102.53345	0.3
109.04060	1.8
138.91542	0.3
156.90350	0.4
157.01508	0.3
157.08763	0.4
157.12390	0.7
173.29919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.34825	0.4
59.01378	32.0
66.42188	0.4
68.99805	1.0
69.03438	0.4
70.68189	0.9
71.05020	1.2
75.00864	0.9
84.99306	1.4
94.77760	0.4
94.83031	0.4
96.99323	0.7
97.93153	0.9
99.00879	1.2
102.67158	0.4
111.08167	0.6
112.95506	0.7
113.06090	100.0
114.05682	0.7
114.06378	2.6
114.93404	1.8
115.00375	1.5
116.07162	0.5
124.98811	0.5
127.00368	1.5
139.07655	0.5
156.89470	2.6
157.01437	0.5
157.05080	10.3
157.08702	6.0
157.12335	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	158.9391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68607	0.3
59.01381	1.9
61.98850	0.3
71.01390	1.3
76.36986	0.3
84.93864	2.4
86.95444	2.9
96.99302	0.4
99.00870	0.3
99.92583	30.6
100.92603	1.7
100.93367	1.0
110.39752	0.3
114.94932	26.6
115.00405	0.5
115.07694	0.3
115.92036	0.5
115.94936	1.6
116.92860	100.0
117.92874	5.5
158.84668	0.4
158.93904	13.6
159.93933	1.3
167.73102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76776	0.7
55.01880	9.6
57.03164	1.5
57.03445	26.2
57.67046	0.7
58.00593	1.8
59.01382	13.1
59.05009	1.5
68.60726	0.7
69.03440	1.0
69.90504	1.7
69.90861	1.6
71.01379	3.3
72.99306	0.9
73.02944	3.0
79.54081	0.7
79.66079	0.8
83.01389	100.0
84.01710	1.4
85.02954	11.2
85.96648	0.8
87.04515	16.1
88.04913	0.8
98.00117	1.2
99.00879	5.7
99.92587	3.2
101.02454	1.3
111.00928	1.4
114.94927	3.9
115.02576	1.0
116.52686	0.7
116.92080	1.1
116.92860	13.0
116.93601	1.3
126.79649	0.8
127.00371	6.3
127.04867	0.7
129.01950	0.9
131.03545	0.9
138.87445	0.8
142.34383	0.7
158.93948	2.6
159.01723	1.2
159.02988	5.8
159.10295	1.1
160.15521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85182	1.2
57.03455	5.5
57.19579	1.0
59.01378	36.9
59.27150	1.1
65.33783	0.9
67.32957	1.1
69.03445	2.0
70.78733	1.4
71.01008	2.0
71.01379	24.9
71.05019	10.2
72.99322	2.2
73.02943	50.8
74.03277	1.4
75.00882	1.2
77.03970	1.1
81.03466	6.3
83.01379	9.0
84.02163	1.1
85.02950	37.8
87.00887	2.4
87.04521	5.5
89.02446	6.5
93.09982	1.0
93.18995	1.3
95.01405	2.1
97.02927	3.2
99.04513	9.9
101.02449	5.6
105.03474	1.4
113.02465	7.1
115.04011	5.5
115.07604	1.6
117.05598	13.8
131.03508	18.6
132.02199	9.5
133.02960	100.0
134.03305	3.4
142.01680	1.2
161.02455	79.5
161.04475	12.4
161.08197	23.6
162.01718	1.4
162.02925	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	161.024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13755	0.6
56.02053	0.6
57.03435	0.9
59.01381	4.5
69.70370	2.1
71.01389	3.1
71.05015	0.9
73.02949	6.7
77.03951	1.2
81.03404	0.6
83.01391	1.5
85.02943	5.8
87.04554	0.7
89.02448	1.0
89.04005	0.9
99.04520	1.4
104.02687	0.9
105.03479	2.7
113.02477	1.0
115.01907	1.7
117.05593	1.8
119.00871	0.8
131.03520	2.3
132.02182	11.5
133.02962	100.0
134.03284	3.5
136.12094	0.7
161.02454	66.3
161.04602	1.8
161.08228	3.1
162.02814	2.3
179.07898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97758	1.5
55.01876	6.1
57.03452	20.8
58.00576	1.8
59.01381	83.8
60.39859	1.5
69.03451	3.8
69.91703	5.5
71.01380	95.9
71.05024	22.2
72.99312	6.1
73.02946	77.6
75.00867	3.1
81.03034	1.8
81.03472	8.1
83.01385	19.9
85.02952	100.0
87.00886	22.1
87.04530	2.5
89.02444	17.0
95.01402	16.0
97.02957	6.2
98.22597	2.4
99.00894	11.4
99.04517	40.0
101.02442	60.6
113.02457	26.3
115.04000	6.1
115.07613	1.8
117.05579	14.0
131.03511	28.9
132.02139	1.9
133.02953	22.5
143.03456	12.8
161.01152	2.9
161.02470	15.0
161.04564	47.0
161.08217	13.8
171.88733	1.7
174.58755	2.1
180.13104	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.1
57.03448	47.6
58.00594	1.4
59.01377	76.3
60.01711	2.3
60.10735	1.3
60.99305	1.7
69.03458	3.7
70.59168	1.9
71.01379	100.0
71.05011	11.3
72.01720	1.8
72.99310	10.1
73.02944	75.3
74.02457	2.9
75.00877	8.9
75.02828	1.8
81.03457	7.4
83.01379	13.2
84.02164	2.1
85.02948	80.2
86.03262	1.8
87.00337	1.5
87.00871	28.9
87.04505	3.3
87.80900	1.2
88.04057	2.5
89.02441	16.2
95.01383	18.2
97.02940	6.8
99.00864	14.0
99.04516	52.7
101.02441	31.3
105.01936	4.0
113.02450	30.3
115.04031	6.5
117.05578	16.3
125.02441	1.7
131.03511	24.8
133.02953	1.9
134.93910	1.3
143.03487	14.7
161.00977	6.7
161.04544	33.5
161.06706	1.5
161.08173	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02304	0.6
55.33879	0.6
55.75245	0.6
59.01349	1.0
65.47388	0.6
69.34354	2.3
72.13250	0.6
85.61636	0.5
91.01920	0.7
91.05533	100.0
92.05884	3.1
93.03464	1.6
98.17137	0.7
119.05028	28.3
135.04544	4.4
162.89326	1.4
163.00339	2.3
163.03992	6.2
164.03558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
58.42191	0.1
70.04560	0.3
70.04915	0.2
91.05553	0.3
93.03457	0.7
102.81693	0.2
119.05024	100.0
120.05348	3.4
136.53625	0.2
163.03999	9.3
164.04364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15305	0.3
54.73026	0.2
58.74034	0.2
62.12768	0.2
67.00928	0.2
69.36748	0.6
73.83997	0.2
80.80276	0.2
90.41088	0.2
91.05521	0.3
93.03443	1.3
117.03472	0.3
119.05029	100.0
120.05360	3.8
134.03772	0.3
135.04497	0.4
136.81544	0.2
163.04005	8.3
163.11282	0.7
175.20876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
65.03946	0.3
65.38036	0.2
69.53362	0.9
71.65218	0.2
91.05531	1.4
93.03459	1.2
98.21915	0.3
107.05033	5.7
108.02171	0.4
109.02966	0.5
117.03461	1.5
119.05029	4.7
121.02959	4.3
124.42869	0.3
127.54735	0.2
127.98830	0.3
129.91397	0.2
134.03741	5.8
135.00858	0.3
135.04533	16.7
136.04842	0.7
145.02968	2.6
147.04460	0.5
161.02487	0.3
162.03270	0.9
162.83917	9.9
162.89381	0.7
163.04010	100.0
164.04379	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78216	0.5
51.99263	0.5
53.24999	0.6
55.42079	0.7
58.58408	0.6
58.83226	0.5
59.01366	1.6
62.41088	0.6
69.56295	2.5
73.02940	0.9
91.05533	100.0
92.05865	3.7
93.03467	1.9
95.01402	1.0
101.02515	0.7
114.11398	0.6
119.05029	53.2
120.05363	1.3
135.00922	0.9
135.04526	4.4
140.14098	0.8
162.89323	1.8
163.00351	4.0
163.04007	7.3
163.06235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39765	2.4
61.56717	2.5
61.98806	4.0
67.27654	2.6
146.66356	2.6
162.83916	41.4
163.11288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.4
61.98828	7.1
65.01449	30.5
69.44377	3.9
85.34498	0.9
91.01884	3.2
93.03448	2.8
103.01488	3.4
105.01923	9.1
116.92091	8.3
116.92816	1.3
118.92532	2.6
118.99260	22.9
119.01396	1.3
119.05029	25.5
121.02962	1.6
135.00893	2.0
135.04492	1.3
136.07726	0.9
142.92491	1.6
162.83911	100.0
162.89243	4.6
162.93198	1.1
163.00357	5.3
163.01485	1.5
163.02765	1.4
163.03970	5.5
163.11299	15.1
163.83936	1.0
163.99895	1.8
164.03517	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
65.19526	0.7
70.91982	0.7
70.92315	1.0
72.00909	40.9
89.56065	0.7
91.05527	5.2
103.05520	7.9
132.05054	0.7
147.04521	100.0
148.04872	2.4
164.07159	47.8
165.07523	1.5
173.62296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0194
Annotation	Terephthalate
Peak:m/z	Relative Intensity
57.01310	0.5
59.01386	3.2
69.24609	2.7
75.06616	0.5
77.03967	4.7
93.03464	0.6
96.95986	0.9
96.96972	0.7
103.44247	0.6
106.04249	0.6
118.99303	1.2
121.00898	4.0
121.02956	100.0
121.06574	1.5
122.03274	3.6
123.05678	0.7
130.32758	0.7
135.04512	0.9
136.01651	1.2
137.02509	0.8
145.89319	0.6
147.04506	3.0
149.00966	2.4
150.03233	1.4
164.83617	52.0
164.89566	3.4
164.99872	1.0
165.01921	7.2
165.04163	0.6
165.05545	1.7
165.06761	0.9
166.01381	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	165.0405
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01865	3.1
57.03432	0.6
59.01373	9.4
68.41303	0.6
70.49100	0.8
71.01382	5.9
71.44601	0.6
72.99294	3.8
73.02945	1.5
75.00872	100.0
78.95902	0.8
85.02929	1.6
87.00875	32.8
88.98820	0.7
89.02446	2.9
96.96988	1.2
99.00876	7.2
101.02438	2.3
105.01937	24.6
107.52012	0.5
111.00870	0.7
117.01943	1.3
121.02953	0.8
129.01947	11.6
135.03014	0.9
147.03015	6.3
160.08853	0.5
165.04036	53.0
166.04396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
54.99690	0.4
70.45531	1.1
91.05537	1.4
98.21883	0.5
101.03965	4.1
103.05547	1.2
119.05023	21.4
121.02962	2.1
129.03468	27.3
130.04268	5.8
135.04570	0.8
145.03099	0.9
146.03737	7.1
147.04520	100.0
148.04825	2.7
163.01857	0.4
165.05565	27.0
166.05856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
63.93006	0.5
70.43774	1.1
74.51589	0.5
91.05555	1.4
92.71163	0.6
98.09369	0.5
101.03959	4.1
103.05537	1.1
104.63885	0.5
106.69299	0.5
119.05027	24.3
120.05322	0.6
121.02955	1.2
129.03464	27.6
130.04262	7.9
135.04587	1.0
145.02982	0.9
146.03749	6.8
147.04521	100.0
148.04846	4.0
165.05566	26.7
166.05927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
53.02439	0.6
59.01368	1.9
76.08573	0.8
77.03975	1.6
91.05568	0.7
101.03966	2.5
108.02153	0.9
109.02879	0.7
119.05031	14.7
121.00925	3.2
121.02951	30.6
121.06587	2.1
122.06080	0.7
123.05692	0.7
125.96088	0.6
129.03464	16.0
130.04303	3.8
135.04524	1.0
136.01657	1.8
137.02464	0.8
146.03734	4.3
147.04521	63.5
148.04871	2.6
149.00941	2.1
150.03214	2.4
164.83614	100.0
164.89685	1.4
164.99872	0.8
165.01929	3.2
165.04135	1.4
165.05557	19.7
165.06691	0.9
165.09213	0.9
165.83698	2.5
166.01474	4.0
166.05017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
53.85089	0.5
59.01381	3.5
75.00884	0.6
77.03961	2.9
93.03451	8.6
93.03924	0.7
96.96019	1.0
100.38515	0.5
101.04076	0.8
106.04241	0.9
108.02188	1.2
109.02985	1.3
118.99299	0.8
119.05040	5.9
121.00997	3.3
121.02956	57.5
121.06625	1.8
122.03760	22.1
122.06195	0.6
122.89423	1.1
124.04065	0.7
129.03467	7.9
130.04259	1.9
135.04491	1.2
136.01633	3.5
137.02422	2.3
146.03712	1.5
147.03345	1.6
147.04521	32.9
148.04845	1.0
149.00966	1.4
149.02428	3.5
150.03224	100.0
151.00363	0.7
151.03571	2.6
164.83623	45.8
164.89627	2.1
164.99838	1.3
165.01933	5.8
165.04346	1.2
165.05577	17.9
166.01370	3.0
182.21539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
55.69869	0.4
59.01385	1.7
69.13408	0.7
69.13808	2.1
77.03964	1.0
91.05549	1.6
92.01630	0.4
92.11436	0.4
93.03455	0.8
94.68993	0.4
95.01495	0.4
101.03963	3.1
103.05551	0.9
118.99293	0.7
119.05025	22.2
121.00903	2.9
121.02952	15.1
121.06538	1.0
129.03465	25.7
130.04283	7.2
131.69693	0.4
135.04414	0.5
145.02943	1.1
146.03731	6.7
147.04518	100.0
148.04854	3.1
149.00914	1.6
150.03191	1.4
164.83607	17.3
164.89525	0.7
164.99796	0.5
165.01877	1.7
165.05554	28.6
165.83504	0.5
166.01450	2.0
166.05942	0.7
173.02370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
57.03439	1.5
59.01381	4.2
65.00330	2.0
66.10023	0.5
68.99854	0.8
69.89318	0.5
70.99946	1.0
77.80412	0.6
81.03454	18.7
83.01387	7.9
91.01918	0.6
95.01408	1.9
95.05029	3.6
96.04571	1.5
96.30597	0.5
97.02985	0.6
99.04548	0.9
107.01387	1.8
108.02185	5.8
108.04560	1.6
111.04527	0.8
111.08160	0.7
116.83460	0.5
123.00895	1.9
123.04527	100.0
124.01653	0.8
124.04828	3.2
124.07659	1.7
124.98444	4.5
125.02445	8.0
139.07637	1.5
140.02588	0.6
149.02437	0.8
149.06087	0.8
151.00385	3.5
152.01170	12.8
152.04742	0.5
153.00665	5.4
166.99574	1.5
167.03493	93.7
167.07141	2.3
167.46732	0.5
168.02968	2.5
168.03957	2.2
187.47137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0666
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.55385	0.9
51.73023	0.8
52.10236	0.8
56.12278	0.8
56.51076	0.9
67.64985	0.9
72.00909	5.2
78.95902	10.2
88.99702	0.8
92.05067	2.1
93.04590	2.4
96.04563	3.8
107.03758	6.3
108.04559	22.5
109.02457	0.9
110.06139	2.3
112.20078	0.8
120.04558	2.2
121.05341	12.2
122.06125	68.8
123.00893	2.6
123.06498	2.0
125.00943	4.2
125.09703	1.1
125.98492	1.0
126.02012	2.7
126.98875	11.4
135.03311	4.9
136.04054	1.0
138.05614	22.9
141.02118	1.2
141.97580	2.1
150.05611	100.0
151.05052	15.6
153.00648	15.1
166.05093	27.0
168.03047	14.3
168.06633	23.2
168.07822	23.4
168.10228	2.0
168.83632	24.2
168.98648	0.9
168.99855	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	100.0
59.01368	5.4
61.18375	1.2
61.98828	12.7
68.99801	1.3
69.31342	4.4
70.11691	1.2
73.82427	1.6
80.05025	1.7
82.95404	14.8
95.01431	2.6
96.04551	8.9
98.57758	1.4
101.96236	1.2
103.01469	1.7
116.42697	1.3
123.00883	12.2
124.04058	3.1
125.02448	12.2
125.09729	1.8
125.98522	6.4
126.98169	1.3
132.86787	36.1
141.02080	2.4
150.01889	1.9
153.00661	70.8
154.00948	2.1
167.83629	4.8
167.87112	29.4
167.99557	2.9
168.03055	34.6
168.06580	1.3
168.10303	3.2
168.13855	9.7
168.83598	7.2
169.01389	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	168.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02241	0.6
56.50077	0.6
59.01373	4.1
70.73083	0.6
70.73416	0.8
73.01464	0.9
73.98605	0.7
74.99387	1.9
78.95905	0.9
82.92911	0.9
85.41398	0.6
87.00890	1.9
97.06602	0.7
106.51347	0.6
109.04139	0.8
109.04874	2.6
109.98611	1.0
117.00449	0.7
122.05648	0.8
122.06156	1.0
123.06479	8.6
125.00951	38.3
125.02429	1.5
125.09733	2.1
126.01103	1.8
126.98880	100.0
127.98969	4.8
128.03535	1.0
130.08688	0.6
134.04724	14.7
139.05984	3.1
141.97581	14.3
141.99947	2.8
142.97702	1.3
150.05576	0.7
151.05972	14.4
152.05466	1.1
155.89719	0.7
167.05461	4.1
168.83626	29.8
168.99934	42.8
169.01434	2.0
169.06123	1.9
169.07164	1.0
169.08255	1.3
170.00058	2.3
170.04630	0.8
172.49875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02973	1.1
59.01407	0.5
66.88114	0.5
69.37902	2.2
98.21896	1.0
111.08154	1.0
115.18629	0.5
128.08051	0.5
128.10837	2.5
130.08739	100.0
131.07144	0.6
131.09074	2.1
137.94022	0.5
172.09770	14.3
172.11174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01873	4.8
57.03439	6.6
57.90938	2.0
59.01373	11.2
60.39054	2.1
60.39498	2.0
67.01894	7.1
68.49539	2.1
68.99805	3.7
70.74533	3.5
71.01382	91.1
72.99300	5.1
73.02972	3.5
83.01394	7.7
85.02948	100.0
87.00877	6.4
93.03455	3.9
96.99297	3.4
99.00876	33.8
111.00876	55.0
112.98804	37.8
115.00356	5.0
124.98792	28.3
129.01949	22.3
129.10344	7.3
130.80559	2.1
131.08261	42.6
142.99858	74.2
172.83084	7.6
173.00906	14.9
173.09276	3.0
173.10500	2.8
174.11362	4.7
190.01653	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	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00300	2.0
55.01881	8.1
55.28109	0.9
57.03450	2.7
58.02974	1.4
59.01380	6.9
67.01907	1.5
68.99828	2.4
70.46239	1.1
71.01381	100.0
72.99297	4.9
73.02956	6.7
75.00890	1.3
80.99839	1.1
83.01384	8.6
85.02960	3.0
85.06563	1.2
86.06122	1.0
87.00891	5.2
96.96973	1.0
96.99319	6.4
98.27222	0.9
99.00880	46.2
100.01258	1.0
101.02437	1.8
105.57235	1.2
111.00912	3.7
111.04506	3.7
112.98811	22.3
115.00394	6.0
120.78546	0.9
124.98806	31.1
124.99733	1.9
128.07156	1.8
129.01930	2.7
129.10359	1.3
131.08273	4.6
140.98299	2.1
142.99857	80.4
144.00233	1.5
154.99844	1.4
155.03545	1.7
173.00893	15.3
173.04579	2.0
174.11356	1.7
190.86554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83203	0.2
58.04102	0.3
65.73621	0.1
69.78479	0.4
83.06153	0.2
112.08813	0.6
113.07200	0.4
114.05606	1.6
131.08260	100.0
132.08653	1.5
156.07796	2.7
173.10431	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57590	0.3
57.81027	0.3
58.04080	0.5
59.01375	0.4
71.01386	2.1
85.02940	2.7
85.07695	0.4
99.00862	0.7
111.00883	2.7
112.08797	0.5
112.98767	0.6
113.07262	0.3
114.05603	1.3
129.01971	0.7
131.08261	100.0
132.08640	1.7
142.99866	1.1
156.07767	3.3
173.10443	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05887	0.2
52.53194	0.2
58.04094	0.5
69.20018	1.3
71.01370	0.7
75.04008	0.2
83.06142	0.5
85.02944	2.5
95.66219	0.2
99.00882	0.4
100.74075	0.2
102.03335	0.2
111.00862	0.4
112.08801	0.3
112.98818	0.5
113.78500	0.2
114.05605	1.1
119.77117	0.2
128.10867	0.3
131.08260	100.0
132.08612	2.0
142.99869	0.4
156.07784	3.2
173.10435	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
53.44339	1.7
59.01368	6.6
60.99311	2.1
61.98823	3.6
63.26493	1.8
67.01884	9.4
71.01367	2.4
72.59946	2.2
73.02937	3.2
83.05017	2.9
85.02980	2.3
85.10041	2.4
88.83797	2.0
91.88528	1.9
93.03449	26.3
109.06576	2.9
111.04530	4.7
111.08146	14.2
127.11295	9.1
128.87801	3.5
129.09227	4.9
131.07242	5.1
131.08250	47.2
136.86246	5.2
155.10754	3.5
172.83011	30.6
172.84248	4.3
173.02393	2.6
173.04504	6.7
173.08273	11.1
173.10674	3.6
173.11827	100.0
174.12215	3.0
186.60332	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	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
51.33110	0.5
55.01874	0.8
57.03448	1.2
59.01376	31.8
60.64809	0.5
67.01897	1.3
69.10091	2.7
71.01380	36.6
72.01715	0.5
72.99315	2.6
73.02941	3.9
83.01383	1.3
83.61997	0.5
85.02960	3.9
87.00874	90.3
88.01189	0.6
96.99269	0.8
98.21880	1.1
99.00865	1.6
101.02475	0.6
103.00398	0.5
104.85428	0.5
111.00847	1.6
112.98811	1.5
113.01369	1.0
113.02432	1.1
115.00371	100.0
116.00703	1.9
127.00352	1.2
175.02477	28.2
176.02837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03459	1.3
57.71901	0.8
59.01378	46.8
68.99830	1.6
71.01382	38.4
71.44743	0.7
72.99310	3.4
73.02955	2.3
75.00859	2.1
83.01390	2.3
85.02951	4.3
87.00877	84.5
88.01227	1.0
99.00884	2.0
100.98817	1.5
101.02428	1.1
110.74187	0.8
112.98825	1.1
113.02462	1.3
113.06149	0.9
115.00375	100.0
116.00714	1.9
124.98843	1.6
127.00381	1.4
130.22931	0.7
131.05009	1.0
132.98239	3.2
142.99878	0.9
157.01500	0.9
174.99281	1.1
175.02512	26.2
175.03918	1.8
175.09697	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	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22234	4.5
53.85145	4.8
56.48064	5.5
59.01376	26.6
62.53744	4.5
66.49397	5.1
69.70419	16.2
71.01380	10.1
72.99293	4.9
75.15565	4.5
87.00892	10.7
95.35490	4.5
98.22624	9.8
100.98806	100.0
102.08532	5.2
115.00386	17.4
122.83644	5.2
127.97513	74.7
142.99873	13.8
189.24428	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	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
51.11436	0.5
59.01379	29.2
68.99810	0.7
70.75840	0.7
71.01374	1.9
71.05004	1.5
73.02966	0.7
85.02921	0.9
85.06587	43.2
86.06927	1.3
87.00856	0.7
87.04491	1.2
100.98801	0.6
113.06087	39.1
114.06393	0.7
115.00381	1.6
115.04008	100.0
116.04354	1.1
116.92847	1.2
129.01918	0.7
129.05574	2.2
131.07135	8.5
132.98193	4.9
139.87221	0.7
145.73448	0.5
157.05069	10.1
174.82713	5.7
174.84030	2.0
174.86104	0.9
174.88942	0.9
174.99272	2.4
175.06114	54.9
176.06435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01375	21.8
79.19282	0.5
85.02914	0.6
85.06583	44.7
88.10580	0.6
91.99579	0.5
110.12306	0.6
113.06086	41.3
114.06426	0.9
115.04007	100.0
116.04348	1.5
116.92847	1.0
129.05582	2.0
131.07132	8.7
132.98195	5.2
137.08557	0.6
139.35818	0.5
139.87273	1.1
151.25648	0.6
157.05052	9.8
174.82719	3.4
174.84053	1.4
174.89024	0.5
174.99252	2.1
175.06110	57.4
176.03555	0.8
176.06459	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	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.2
69.76827	0.7
69.77174	0.4
71.01364	0.4
77.03978	1.4
81.03447	1.9
87.00893	0.5
89.03970	7.9
93.03455	1.0
95.05038	2.8
99.00884	0.4
105.03461	14.1
107.01389	0.8
109.02979	0.4
110.13833	0.4
121.02954	1.2
123.04533	0.6
133.02960	32.5
134.03270	0.8
139.04002	0.6
149.02448	3.9
162.03212	1.3
177.01927	100.0
178.02287	3.8
178.04770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
60.64730	0.3
70.02358	1.0
71.01372	0.6
78.78313	0.4
78.95905	2.2
79.95760	0.3
83.33936	0.3
87.00879	1.2
96.96009	40.8
96.96998	1.4
118.99278	1.0
119.93738	4.3
134.96089	38.0
135.96156	1.9
136.94009	100.0
137.94083	4.5
151.92714	9.8
152.92854	0.4
161.04533	0.9
178.95056	69.3
179.05614	0.5
179.95157	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	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41199	0.4
59.01378	1.4
60.95080	0.3
69.55172	1.5
72.28939	0.4
106.15461	0.4
107.05040	2.0
117.03469	0.5
117.27516	0.3
134.03760	5.0
135.04524	100.0
135.20697	0.3
136.04865	4.0
179.03503	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	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
57.20349	0.2
59.01381	0.3
68.54196	0.3
71.23859	0.3
73.18605	0.2
79.27910	0.2
89.03977	0.2
91.05515	0.5
100.98118	0.3
107.05038	1.6
112.72002	0.2
116.67110	0.2
117.03481	0.6
134.03741	6.4
135.04523	100.0
136.04831	3.4
160.63521	0.2
179.03502	19.6
180.03784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	87-81-0
Peak:m/z	Relative Intensity
59.01378	100.0
69.36272	6.1
71.01377	60.4
72.99304	2.1
75.00864	3.3
76.39851	1.3
78.81448	1.4
78.95908	10.5
83.01357	1.9
85.02952	5.5
87.00883	10.4
89.01923	2.5
89.02440	29.0
93.66019	1.3
95.01376	2.3
95.26765	1.2
98.06055	1.6
98.22581	3.0
99.00877	2.5
101.02437	6.6
105.01925	1.6
113.02431	5.0
118.99320	1.6
119.03460	1.8
119.05018	3.7
134.03882	1.5
134.96069	1.7
135.04509	6.8
136.94019	3.3
161.04568	5.6
163.03983	4.1
171.41208	1.2
178.96107	2.5
179.05666	11.1
180.06709	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	179.0561
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
50.23400	1.5
55.10423	1.3
59.01376	67.0
64.23824	1.5
65.51299	1.5
69.80630	1.3
69.91096	2.4
69.91422	2.4
71.01381	40.9
72.99306	6.3
73.02930	5.8
75.00871	100.0
81.03436	2.4
85.02969	4.6
87.00899	7.1
89.02444	21.1
93.52394	1.5
99.00874	7.4
99.04560	1.7
101.02444	3.9
105.01933	23.5
113.02433	3.9
121.31331	1.4
125.02459	2.6
130.17961	1.4
140.61230	1.6
143.03494	7.4
151.44598	1.6
161.04533	10.8
179.05603	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60409	0.6
57.03449	0.9
59.01377	71.9
69.03452	1.2
70.97556	0.8
71.01382	13.5
72.99313	0.7
73.02944	1.6
78.95910	2.1
83.01382	1.6
85.02929	3.9
87.00874	13.8
89.02441	6.3
93.03475	1.0
95.01427	0.7
96.96009	8.7
96.96947	3.6
97.02967	0.8
98.02686	0.6
99.00889	3.5
101.02438	1.9
107.01336	0.6
107.04975	0.7
113.02457	1.4
117.01920	2.4
118.99305	15.2
119.00133	1.0
121.02936	2.1
122.67904	0.6
123.04519	0.7
125.02450	1.9
129.27065	0.6
130.47937	0.6
135.04530	7.2
136.01756	0.6
136.94009	2.2
137.02502	0.8
141.01915	1.4
143.86476	0.9
145.02962	4.2
146.03737	100.0
147.04510	5.1
150.94788	0.7
151.00360	0.7
151.04015	1.6
151.07645	0.8
159.03000	0.9
161.04567	9.0
161.06079	19.3
161.07396	1.4
163.04082	3.5
164.04797	58.9
165.05110	2.0
178.81580	1.9
178.95084	1.9
178.99864	0.9
179.01424	8.2
179.03508	3.9
179.05609	10.4
179.07149	15.8
198.07314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
69.75591	3.0
72.00909	29.5
72.01734	1.6
74.02469	4.6
74.02815	0.8
77.79880	0.8
78.98615	1.3
90.02785	0.9
93.03453	23.8
96.69426	0.8
106.04261	2.8
107.05041	2.4
119.05024	64.5
120.05363	1.1
132.10847	0.9
134.06128	1.0
134.63489	0.8
136.07712	4.2
142.79019	0.8
162.05600	2.4
163.04004	79.4
164.04385	2.5
180.06660	100.0
181.07004	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	183.1026
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
54.34053	2.2
55.33836	2.1
57.03449	100.0
59.01373	2.8
61.98830	23.8
68.99567	11.4
69.03454	8.3
81.03466	3.8
82.38580	2.1
83.44882	2.2
95.01398	3.6
111.08119	2.0
112.98560	16.9
123.00922	5.1
123.08164	9.7
139.11299	40.6
153.00652	5.0
165.09174	4.5
167.99393	5.7
177.59525	2.2
182.85942	8.7
182.93010	8.6
183.00455	24.7
183.03053	3.4
183.10231	21.1
184.00970	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	183.1026
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
54.41072	0.4
54.62245	0.5
57.03444	3.1
59.01367	1.0
63.66770	0.5
67.01911	0.6
68.99575	1.8
69.03458	0.8
83.65521	0.6
87.00880	1.1
95.01415	0.6
98.21843	1.0
101.02481	0.7
111.00897	1.0
112.98582	2.5
119.08664	4.3
121.06588	1.5
121.10255	1.2
123.00902	0.6
124.11966	0.4
135.08218	1.2
137.09721	75.8
138.10081	1.9
138.87424	0.6
139.00473	0.6
150.89777	0.5
153.00670	0.5
165.09213	4.3
167.99376	4.2
168.00584	0.7
182.86098	0.8
183.00542	3.1
183.01875	0.7
183.10265	100.0
184.10652	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	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.27802	0.3
58.56918	0.3
59.01379	0.6
62.51546	0.3
63.21885	0.4
63.61905	0.3
65.00683	0.3
67.01860	0.4
68.99567	1.5
70.54833	0.7
82.57851	0.3
95.01386	0.5
111.00872	0.9
112.98550	1.5
120.81075	0.3
123.00898	0.4
137.02280	0.3
137.09720	0.3
139.07629	0.4
139.11304	0.5
153.00699	0.3
157.78368	0.3
163.34842	0.3
165.02007	0.4
167.99332	0.9
168.00650	0.4
180.63382	0.3
182.85941	0.5
183.00558	1.6
183.13890	100.0
184.14192	3.0
189.69182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
67.01882	0.2
67.88445	0.2
68.99570	0.2
71.34788	0.2
99.95299	0.2
104.01737	0.2
104.45828	0.2
111.00921	0.3
112.98529	0.2
114.29810	0.2
119.80189	0.2
120.32748	0.2
139.00377	0.3
139.11290	0.2
144.85324	0.2
173.23515	0.2
183.00494	0.4
183.13892	100.0
184.14255	3.7
201.31010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56624	5.6
59.01368	10.6
62.40527	4.9
69.21526	28.4
100.61169	5.7
119.89497	5.9
140.02071	38.7
141.99982	9.2
157.73283	5.3
168.27623	5.5
184.01004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12933	6.1
55.57430	5.1
59.01366	26.2
59.50862	6.2
69.43044	11.5
69.43426	12.2
78.95898	52.8
87.00895	7.7
96.96962	20.0
108.71402	5.6
110.98486	7.0
112.04025	13.5
117.65459	6.5
124.04045	6.2
140.02039	44.6
140.07199	7.6
141.09198	6.8
141.99962	21.7
142.05086	7.3
142.96652	8.4
169.00249	7.7
183.88654	8.9
184.00134	35.4
184.00992	100.0
184.06146	11.2
185.11906	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	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	11.0
69.40071	20.3
69.96658	5.4
87.45293	4.7
98.38953	4.5
124.04057	5.8
140.02060	40.8
141.99959	8.5
184.01010	100.0
184.06096	5.6
185.01161	6.8
194.07863	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	185.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35109	1.1
58.84470	1.0
59.01374	2.6
69.78061	1.1
71.45548	1.3
75.00851	1.2
90.40599	1.0
109.29353	1.0
112.98805	2.1
113.57021	1.0
116.57738	1.0
123.08139	1.9
126.71270	1.0
139.11299	33.1
141.09248	6.3
141.12843	1.2
151.06352	1.0
167.10756	1.6
185.08258	3.0
185.11821	100.0
186.12114	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	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.35109	1.1
58.84470	1.0
59.01374	2.6
69.78061	1.1
71.45548	1.3
75.00851	1.2
90.40599	1.0
109.29353	1.0
112.98805	2.1
113.57021	1.0
116.57738	1.0
123.08139	1.9
126.71270	1.0
139.11299	33.1
141.09248	6.3
141.12843	1.2
151.06352	1.0
167.10756	1.6
185.08258	3.0
185.11821	100.0
186.12114	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	186.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81605	0.3
56.66457	0.3
58.02973	4.1
59.01360	1.6
65.58331	0.3
68.05053	4.5
69.34621	0.7
69.35005	0.6
69.88150	0.3
80.59719	0.3
83.79829	0.3
114.09245	100.0
115.09587	1.7
119.49946	0.3
144.10301	36.5
145.10648	0.9
186.11290	4.4
186.12660	0.3
187.09727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35403	1.0
53.00318	2.1
54.39028	1.0
55.01867	3.3
57.89021	1.0
59.01371	11.4
61.98822	1.0
65.00313	2.9
68.99809	2.3
69.15980	0.9
69.49288	4.6
71.01388	9.4
72.99334	2.0
73.02943	1.3
75.00900	1.5
78.71766	1.1
79.99067	0.9
80.99815	5.4
82.00558	1.6
83.01378	10.6
90.97163	2.4
92.47450	1.1
96.99332	2.2
97.06605	1.2
97.66142	1.1
98.00117	1.1
99.00877	100.0
99.92583	2.5
100.01221	1.2
100.98808	2.1
105.01936	21.3
111.00870	2.3
113.02431	1.3
116.92858	1.2
117.00446	1.8
124.98791	1.6
125.06086	13.1
125.09727	6.5
125.99594	1.7
127.00373	16.5
127.03993	1.2
129.01973	1.9
130.08716	5.5
132.98198	2.9
136.98819	9.2
141.00473	0.9
141.01892	1.3
141.86830	1.5
143.07161	1.5
143.11920	4.0
154.99849	2.4
157.01447	1.2
159.01465	5.6
169.00084	1.7
169.01407	9.2
173.00879	4.1
186.95554	1.5
187.01028	2.5
187.02490	11.8
187.04010	1.9
187.06163	3.0
187.09743	3.8
187.10925	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	187.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01196	0.8
55.01870	1.6
57.03441	1.2
58.02975	5.3
59.01377	21.3
66.69889	0.8
67.01862	0.9
68.05051	1.5
68.99805	2.0
70.02978	0.9
70.13248	1.7
71.01381	13.3
72.04546	2.2
72.99300	5.2
73.01437	0.8
73.04069	2.8
74.02470	9.7
74.99403	0.9
75.00864	4.1
82.06654	1.2
83.01389	4.2
83.05014	0.9
85.01463	1.4
85.02924	1.1
85.04008	0.7
86.99356	1.4
87.00877	1.7
87.05634	1.8
88.04038	41.9
88.57169	0.7
88.98795	1.4
89.02428	8.8
96.99307	1.8
98.02482	0.9
98.06097	0.8
98.99385	5.0
99.00877	14.7
99.01516	1.0
99.04523	3.0
100.07719	4.3
101.00945	10.2
101.02389	1.0
101.07267	0.9
102.98880	2.9
105.01934	83.5
106.02274	1.1
106.58641	0.7
111.00883	3.6
111.92538	0.8
112.98800	1.3
113.02461	0.8
114.05553	1.2
114.09245	8.7
114.98893	2.4
115.08748	3.1
116.07174	5.9
117.00439	22.0
118.00516	1.5
125.02467	1.7
125.06124	1.4
125.09717	5.9
126.09242	4.9
126.98881	9.7
127.00358	5.3
127.04029	1.6
130.08755	6.1
141.00452	15.3
142.05086	1.8
142.08746	12.8
143.01962	4.1
143.07103	1.6
143.11894	43.3
144.12270	1.2
144.99918	1.9
145.01431	1.0
145.09846	5.7
146.08209	1.1
154.94759	2.2
154.99855	3.2
156.99948	2.8
157.01347	1.5
159.01520	3.7
159.02907	0.8
168.96118	1.2
168.99950	13.7
169.01350	1.9
169.05225	1.0
169.09891	1.0
170.00195	0.9
172.81073	0.8
187.00999	17.2
187.02499	2.9
187.06146	3.2
187.10890	100.0
188.05692	1.6
188.09291	18.0
188.11150	3.1
188.12799	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	187.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61746	1.0
55.03003	2.1
58.02972	10.8
59.01376	13.0
60.99305	11.6
67.01870	1.4
68.99785	1.4
69.99828	3.6
71.01382	2.0
71.05059	1.2
73.02910	1.4
73.04079	2.1
78.95872	2.6
87.92526	15.3
88.04046	4.2
88.98804	86.4
90.97148	2.4
92.90850	1.2
96.96014	6.3
97.06577	1.4
99.00877	1.6
100.07655	2.4
102.05612	3.5
103.92035	7.8
105.01923	1.4
105.93591	2.7
111.00880	3.6
114.09242	5.5
116.07185	2.8
123.94634	5.2
125.09703	5.0
126.09210	2.1
128.03531	3.9
130.08719	3.8
131.08269	54.3
132.98177	2.3
139.08757	2.4
142.08752	9.7
143.11903	16.2
144.02979	1.4
144.06653	1.9
145.06221	1.8
145.09825	53.0
159.01512	12.1
161.55202	1.3
186.95605	1.3
187.10883	100.0
188.09277	13.6
188.11078	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	187.1088
Annotation	19461-38-2
Peak:m/z	Relative Intensity
55.03002	2.5
58.02973	13.9
59.01375	47.7
61.98820	3.8
64.70091	1.0
69.74944	3.6
73.04060	1.6
74.02471	46.4
82.06621	5.4
83.04992	1.1
85.04058	2.5
87.92536	2.5
88.98818	1.9
90.97136	3.6
97.06574	1.7
99.92573	1.9
100.07681	3.0
112.07677	1.4
114.05573	1.2
114.09249	7.0
115.02483	1.4
117.00409	5.6
123.94615	1.4
125.09721	5.0
126.09253	14.9
127.04022	2.1
131.08260	100.0
132.98167	5.8
141.10240	1.5
142.07756	2.1
142.08734	16.5
143.01982	1.9
143.07167	1.9
143.11894	53.7
145.09811	4.6
146.08234	1.7
153.24881	1.1
159.01483	61.2
160.01604	2.5
168.88797	1.3
170.09415	2.2
186.95544	2.7
187.00945	8.6
187.06247	2.4
187.10855	72.6
188.09277	17.8
188.11055	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	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.25417	0.1
59.01373	0.4
63.07310	0.1
65.99822	0.2
70.62453	0.3
99.70039	0.2
102.03490	0.7
106.58612	0.1
116.05057	0.3
118.02981	1.1
127.07692	0.2
132.14143	0.1
144.04547	100.0
145.04886	2.8
159.03188	0.2
160.04070	0.2
165.11389	0.2
188.03531	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	188.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.02971	35.0
59.01379	15.5
59.03287	1.3
61.98821	3.4
66.36900	1.0
68.05059	5.2
72.99287	1.2
87.92519	5.8
98.06100	3.0
99.92553	7.2
100.07680	19.5
102.05610	2.3
103.92014	2.4
114.09245	36.8
116.92860	1.3
118.14426	1.1
119.18147	1.1
123.94633	2.1
126.09245	1.7
128.07190	1.2
129.20898	1.3
131.03749	1.9
131.08263	1.6
132.08614	3.6
140.94727	1.1
140.95834	1.0
141.86826	2.9
142.08739	77.2
143.09036	1.4
144.04561	1.5
146.02457	1.6
146.08267	6.7
147.03264	45.9
158.93871	1.2
159.03246	9.5
159.87848	1.9
160.01669	8.3
161.01295	1.5
170.08192	7.0
172.04039	4.0
173.04807	18.0
188.00763	1.9
188.09286	100.0
189.06702	25.1
189.09486	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	190.0543
Annotation	N-Acetylmethionine
Peak:m/z	Relative Intensity
57.03432	1.8
59.01374	9.5
60.11653	1.3
61.98827	3.5
64.69120	1.2
64.94688	1.1
70.47980	1.6
71.05032	2.2
78.87964	1.2
79.61797	1.4
84.04539	33.5
85.02946	2.9
87.00856	2.9
91.60213	1.2
91.60806	1.3
98.05495	1.2
98.06117	21.4
100.04024	3.5
105.01936	2.5
111.00894	6.9
112.04053	10.2
115.71461	1.4
118.99320	11.6
120.04551	9.2
130.94360	3.0
137.00378	1.7
142.05095	75.3
143.86488	3.9
144.04454	2.9
146.02492	3.0
146.05200	1.5
146.06425	1.4
147.04471	1.3
147.94685	1.2
148.04376	100.0
163.04016	5.6
164.03523	3.1
165.95633	1.9
170.81526	1.2
190.01549	1.8
190.05406	51.2
190.97794	3.0
191.03496	4.7
191.05595	2.3
200.27692	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.6
59.01382	6.2
66.06453	0.6
67.01888	4.4
69.67971	0.6
70.44910	0.9
71.01379	7.3
72.99303	1.1
73.02961	0.9
75.00872	0.8
80.50591	0.7
83.01400	1.5
85.02953	29.7
87.00875	58.9
88.01203	0.9
89.02421	1.3
99.00871	6.9
99.16141	0.7
101.02459	1.8
108.64169	0.7
111.00880	100.0
112.01199	2.2
112.98809	6.3
115.00372	1.6
116.09077	0.6
117.01973	0.9
123.32065	0.7
129.01947	9.6
130.99835	1.4
133.01413	1.0
147.02959	0.7
161.55634	0.7
173.00937	1.6
186.35847	0.8
191.01974	11.3
191.03609	1.0
191.05568	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
52.66479	0.9
56.35585	0.8
57.03448	6.0
67.01883	3.2
69.09167	0.8
70.02951	0.8
70.50256	1.2
70.50592	1.0
75.90965	0.8
85.02949	26.7
87.00877	45.5
98.22482	1.0
111.00882	100.0
112.01232	2.1
129.01929	4.7
145.92017	0.8
163.50914	0.8
166.69328	0.8
166.76686	0.8
173.00916	1.5
181.74829	0.9
191.01968	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.4
61.98815	2.9
66.74018	1.5
67.01865	2.9
67.98561	1.8
69.21584	8.6
71.01357	1.7
73.02956	2.5
78.91895	1.6
85.00439	2.8
85.02957	34.6
87.00871	44.3
97.64114	1.8
109.28449	1.6
111.00880	100.0
116.92849	10.9
119.01403	3.8
120.00904	1.6
129.01952	5.3
133.01472	2.7
145.86357	2.8
147.00865	4.0
149.65266	1.9
154.99896	2.2
163.00310	5.7
165.01843	1.8
173.00906	2.9
174.88916	2.8
190.88490	7.0
190.99905	4.6
191.01933	13.9
191.03799	3.3
191.05606	28.5
191.10812	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.62300	0.3
57.03448	0.3
59.01371	1.2
66.82243	0.3
69.37111	0.5
69.37501	0.8
73.06451	0.3
77.03955	0.3
77.90236	0.3
85.02947	0.7
87.00874	0.7
111.00883	1.1
114.47787	0.3
118.91027	0.3
118.99310	5.6
119.05054	1.0
121.02956	100.0
122.03280	2.2
137.00377	1.4
146.98824	0.6
147.04529	5.5
156.51454	0.3
163.97414	0.3
176.01254	0.3
180.39063	0.3
190.97829	2.3
191.03532	7.1
191.05638	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	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
57.33994	0.6
59.01366	3.2
61.98839	0.8
66.81899	0.6
67.16721	0.6
68.47707	0.6
70.79633	1.1
71.01382	0.8
73.02966	0.8
83.06872	0.7
85.02954	0.8
91.43500	0.6
95.10746	0.7
101.02429	1.1
108.93747	0.7
109.81026	0.6
116.66940	0.6
117.03429	0.6
121.02956	2.8
126.16743	0.7
126.89034	0.6
130.99275	0.7
133.02979	6.0
133.39627	0.6
134.03741	100.0
134.90358	0.6
135.04097	1.4
137.02431	11.5
139.04010	3.5
140.29736	0.6
149.02444	1.7
149.06090	19.0
149.92398	0.8
150.03198	1.4
150.94820	5.1
161.04616	1.0
165.01941	1.0
178.02711	58.0
179.02080	1.1
192.95853	3.6
193.05046	27.4
201.74358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Scytalone
Peak:m/z	Relative Intensity
69.25095	3.0
70.09117	0.4
72.78051	0.4
74.19449	0.4
82.86092	0.4
84.32027	0.4
93.03431	0.5
106.04236	0.5
121.02959	1.4
122.31576	0.4
128.75241	0.4
133.02954	15.3
134.03741	35.6
135.04086	1.0
137.02449	7.4
139.04018	1.3
150.03139	1.1
161.02441	27.0
162.02763	0.8
176.46915	0.4
178.02681	4.2
184.49438	0.5
192.41206	0.5
193.05051	100.0
194.05397	3.1
198.87354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
50.83865	0.5
59.01373	0.9
62.04763	0.5
62.66237	0.5
71.01380	0.7
73.02942	6.6
85.02957	0.6
92.02676	0.6
93.03467	3.4
96.78878	0.5
99.00868	1.1
101.02413	0.7
103.14090	0.5
105.03466	1.2
105.07076	0.6
106.04252	0.6
107.05000	0.6
108.02159	2.7
109.01176	1.2
109.06566	1.3
117.03467	100.0
118.03818	2.9
118.32620	0.5
121.02960	1.4
121.06621	2.4
132.02182	2.4
133.02962	7.9
134.03757	7.3
135.04547	0.8
136.01666	2.4
137.00673	2.5
137.02409	1.1
137.06094	2.6
149.06075	5.7
150.05583	0.8
150.94817	1.0
151.03996	3.4
151.90652	0.5
160.01677	3.5
161.02444	53.2
162.03069	2.3
163.04027	1.2
165.00154	2.9
165.05598	3.2
178.02742	6.1
179.02206	0.8
192.99643	16.8
193.01311	1.1
193.05055	33.8
193.06923	1.2
194.05298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01868	1.2
57.03440	4.4
59.01379	24.0
71.01383	12.5
71.42284	1.0
72.99295	3.9
75.00871	100.0
78.95913	3.5
85.02947	9.2
87.00343	1.3
87.00870	14.8
89.02438	7.8
93.59073	1.3
96.96960	2.2
99.00880	17.2
101.02454	1.5
105.01929	4.0
111.00853	3.1
129.01942	37.5
141.01900	3.0
143.30453	0.9
147.03030	1.6
147.18539	1.0
154.80298	1.0
159.02983	8.7
177.04066	3.9
195.05093	70.2
204.34760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	5-Hydroxyconiferyl alcohol
Peak:m/z	Relative Intensity
58.00601	10.4
59.01373	9.2
61.98829	3.8
66.85369	1.4
70.56540	2.8
71.01356	2.3
96.96016	4.5
107.34665	1.5
108.02165	3.1
109.02945	2.9
117.03449	5.9
121.02956	43.9
122.03754	22.9
123.04539	3.4
133.02924	3.4
134.03743	2.4
137.02396	2.6
137.06111	2.0
145.02953	28.7
146.03777	10.4
147.04498	7.8
149.02507	1.8
150.03224	19.3
150.92522	3.3
151.03989	2.0
152.91757	15.3
152.94508	4.3
152.98067	1.7
154.02687	1.9
160.84233	12.1
161.02443	32.6
162.03232	45.1
162.04573	2.5
163.03955	5.8
165.01964	2.1
165.05553	18.5
166.90793	3.0
167.90451	3.3
169.14250	1.6
177.05576	6.4
180.04279	100.0
181.00206	2.3
181.04613	1.9
194.90710	2.6
194.92838	7.5
194.95576	4.6
195.04951	2.0
195.06601	38.9
195.81125	4.3
196.06850	1.8
196.42346	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01374	4.2
61.98825	0.6
69.18594	0.6
69.19005	1.0
71.01384	0.3
83.05041	0.6
96.95982	0.6
111.01986	0.3
123.00782	0.4
123.04452	0.3
124.02799	0.3
150.03230	0.7
152.91759	1.1
158.84624	0.5
159.11761	0.5
159.21031	0.3
160.84207	26.8
165.05598	0.5
167.90575	0.4
177.12843	3.4
180.04247	0.5
181.00067	0.4
189.44829	0.3
194.90739	0.3
194.92715	0.5
195.13887	100.0
195.81078	15.6
196.14235	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
60.50653	0.3
96.95992	0.5
101.67947	0.2
109.06591	4.1
111.08155	3.5
125.09712	0.5
138.06880	1.9
151.11295	0.4
152.91776	1.0
158.84641	0.6
160.84222	25.5
165.12875	0.4
167.14412	5.8
179.10770	3.9
180.11481	0.5
194.92921	0.4
195.13896	100.0
195.81090	9.4
196.14241	3.0
205.93425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47647	0.9
59.70137	0.7
61.69778	0.9
61.98827	1.5
68.57320	0.8
69.03446	1.0
69.43938	3.7
70.18990	0.8
71.04992	0.9
77.11789	0.8
80.31110	0.8
95.01461	1.2
97.06585	14.7
98.22625	1.7
99.08148	5.0
107.06162	2.0
111.65189	0.8
116.92877	1.8
121.02955	1.1
122.03731	2.6
123.00883	5.0
125.93616	1.2
126.90540	4.3
137.02498	1.4
137.09720	2.5
138.03223	1.4
153.05553	1.1
153.12848	100.0
153.95824	0.9
154.13190	2.4
160.84213	34.5
161.84219	4.2
162.83908	80.8
166.99852	3.9
167.99379	6.9
175.73151	0.8
178.99683	1.0
179.10773	23.9
180.85823	1.0
182.02208	7.8
183.01735	7.3
196.81100	2.7
197.02022	3.8
197.04568	2.3
197.08124	1.5
197.11836	11.0
197.15350	1.5
197.80786	64.0
198.04085	1.9
213.44170	0.9
215.42393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39014	0.6
58.74493	0.6
59.01365	1.7
61.98824	0.6
70.55572	1.2
75.85109	0.6
76.07304	0.5
86.05883	0.6
100.62578	0.6
125.87335	2.2
127.93154	84.5
129.92311	3.0
139.93153	37.9
143.05444	0.6
154.95499	100.0
155.87138	6.8
155.95734	1.5
157.86247	0.6
157.97760	0.7
162.83913	1.0
164.83560	1.1
198.94476	22.4
198.96355	1.2
199.80367	1.1
199.94553	1.0
199.98763	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.89551	1.1
55.01876	1.5
57.03457	2.3
59.01375	2.7
67.01891	1.1
69.30905	6.1
69.92854	1.0
70.28768	1.0
70.60838	1.1
71.01379	4.3
71.05025	1.7
73.02939	7.0
83.01413	2.1
83.05024	2.0
85.02957	3.5
86.03745	4.0
92.81544	1.1
92.99813	1.7
97.06587	3.6
99.00880	5.4
99.04481	1.2
99.08134	2.2
111.00892	1.3
112.05306	6.6
115.07645	3.8
119.08627	1.2
125.09734	1.5
127.11273	6.1
127.93163	19.2
129.01965	1.6
130.02718	40.7
137.09737	9.2
139.93147	3.3
149.14178	1.0
153.09222	2.1
154.95508	14.7
154.99899	1.5
155.10782	100.0
156.11124	2.0
168.99744	1.9
181.08693	4.0
184.02048	2.3
198.94455	4.2
199.09746	12.7
199.13394	6.4
199.17136	2.4
215.65605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01382	1.0
64.88155	0.3
65.54309	0.3
69.03463	0.3
69.59792	1.1
78.91889	0.4
80.76349	0.3
83.05041	0.5
84.91359	0.3
92.99799	0.3
98.21920	0.5
99.00883	1.2
99.08186	0.6
117.00203	0.3
127.00337	0.4
127.01398	0.3
127.93139	3.4
137.09720	6.5
137.96756	0.3
139.93181	0.9
154.95471	3.7
155.10777	100.0
156.11108	2.1
168.99742	0.5
181.08713	0.8
184.02118	0.5
198.94302	0.6
199.09749	10.0
199.13397	1.1
199.17020	0.4
200.10220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.21388	0.5
59.01365	1.7
61.21828	0.4
63.35435	0.4
67.01883	0.6
68.99814	0.6
73.02940	0.4
74.11419	0.4
79.19426	0.4
83.01387	1.3
98.21798	0.7
99.00873	2.8
99.08149	1.0
115.66630	0.4
127.00372	0.6
127.93155	7.8
127.99005	0.4
139.93126	1.8
154.95482	6.3
155.10745	1.1
162.83905	2.4
163.11249	0.7
164.83618	1.8
168.99734	1.3
169.12346	4.5
169.28896	0.4
181.12340	19.0
182.12662	0.7
184.02061	1.4
197.11848	1.7
198.94466	1.7
199.13388	100.0
199.80556	2.5
199.98669	0.6
200.13686	2.7
217.74010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09655	0.3
59.01379	100.0
60.01724	0.5
67.63268	0.3
69.35387	0.8
69.35798	0.7
98.22659	0.5
108.61434	0.3
113.04619	0.4
115.02512	0.4
157.03574	7.0
159.01544	1.6
201.02547	14.7
202.02733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74887	0.3
56.11705	0.3
59.01377	100.0
60.01713	0.4
62.29065	0.3
70.77453	0.6
75.50470	0.3
83.82751	0.3
85.86996	0.4
87.03863	0.3
99.92587	0.9
113.04561	0.3
141.93639	0.4
157.03557	5.7
157.13403	0.5
159.01492	2.7
201.02545	13.8
201.12460	0.7
202.02780	0.7
224.65025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15546	0.2
53.84194	0.2
57.29501	0.2
57.51373	0.2
59.01378	100.0
60.01720	0.3
67.21217	0.2
69.00935	0.6
69.87202	0.8
71.01402	0.5
73.28954	0.2
88.04044	0.7
103.92028	1.2
111.44843	0.2
115.02546	0.4
117.00465	0.4
128.96504	0.4
134.73012	0.3
146.97612	1.2
146.98566	0.3
157.03558	5.7
157.13466	0.3
158.03743	0.3
159.01491	2.4
175.02745	1.3
201.00859	0.6
201.02539	15.7
201.12488	0.7
202.02708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17401	0.3
59.01376	100.0
60.01710	0.6
66.07454	0.3
69.87926	0.7
69.88280	0.5
82.02991	0.4
86.01972	0.3
88.04049	1.4
94.59830	0.3
110.02435	0.4
111.02789	0.8
111.79953	0.3
113.04597	0.4
117.00435	0.3
129.10342	0.6
157.03568	6.3
157.13393	0.4
158.97989	0.3
159.01451	1.7
174.32060	0.3
175.98734	0.3
201.02533	13.2
201.12457	1.1
202.02731	0.5
214.92265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03094	0.3
57.32178	0.3
57.58312	0.3
59.01378	100.0
60.01709	0.8
61.95172	0.3
61.95568	0.2
69.93448	0.8
71.12133	0.3
72.05431	0.3
80.73508	0.3
82.06647	0.4
88.04041	7.2
88.50604	0.3
95.74914	0.2
98.22533	0.3
100.35112	0.3
113.04628	0.3
115.02474	0.5
129.10364	0.4
136.41367	0.3
140.10802	0.5
157.02344	0.6
157.03564	6.4
157.04855	0.3
157.13484	1.6
158.03745	0.3
159.01485	2.1
201.02551	14.8
201.12450	8.0
202.02759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03441	1.8
59.01072	1.0
59.01377	20.2
63.78292	0.5
66.85414	0.5
69.03462	1.2
69.11066	0.5
71.01326	0.6
71.05017	2.4
72.99306	22.9
83.05015	1.1
85.03018	0.5
85.06570	0.9
87.04520	1.6
88.47466	0.5
99.92570	1.0
107.08649	1.8
109.10229	1.9
113.02491	0.6
121.10256	1.4
125.09724	5.0
127.11278	1.8
135.08153	0.7
137.09706	1.8
139.11263	4.6
141.61363	0.5
141.93224	1.8
155.10773	9.9
157.03519	0.9
159.01462	0.9
165.09209	1.5
178.32922	0.5
183.10255	40.6
184.10551	0.9
199.09845	1.1
201.02592	3.2
201.11314	100.0
202.11655	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	201.1244
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
54.59238	0.6
55.22971	0.5
58.70757	0.6
59.01378	26.7
65.41935	0.6
70.02964	2.0
70.37094	1.4
82.06608	1.2
84.08156	0.8
87.05636	14.5
114.09219	0.9
115.07655	1.3
129.11710	0.7
130.08736	32.3
140.10829	6.8
154.64723	0.6
155.11909	0.7
157.03546	2.0
157.13458	46.2
158.13815	0.8
159.01466	0.8
201.02634	2.9
201.12440	100.0
202.12769	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	201.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.8
59.69049	0.8
62.23183	0.6
70.02966	2.1
84.08177	1.2
87.05637	13.2
102.94376	0.8
115.07648	1.3
115.67893	1.0
122.31431	0.7
130.08736	35.3
140.10852	6.8
141.10356	1.5
142.08748	0.8
142.09964	0.7
143.96683	0.8
149.47514	0.7
157.03571	2.7
157.13455	50.6
158.13763	1.1
158.99728	0.9
162.85338	0.8
183.11285	0.9
201.02579	4.4
201.12445	100.0
202.12782	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	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01377	6.5
71.46814	0.2
72.85431	0.2
86.06148	0.2
99.92572	1.6
104.91625	0.2
117.22360	0.2
125.09722	0.2
141.93158	3.3
153.12811	0.3
155.14412	4.9
157.03641	0.3
164.83604	1.3
166.83327	0.3
183.13893	2.4
197.02414	0.2
199.13419	0.7
201.02551	0.7
201.14954	100.0
201.80209	0.7
202.15323	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	202.1449
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
51.87347	0.3
55.86059	0.3
59.01381	4.0
69.33246	1.6
72.04543	0.5
72.94034	0.4
99.92580	2.0
113.09746	0.7
130.08771	0.8
141.93637	1.9
156.13950	3.1
167.66747	0.4
174.45102	0.4
174.99208	0.5
184.13492	2.3
200.12895	3.1
202.14479	100.0
202.91818	0.3
203.14871	2.5
209.87984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37411	0.4
59.01374	3.6
59.97168	0.5
68.25521	0.4
69.03451	0.9
70.33794	0.4
70.51241	0.5
70.51579	0.8
71.01384	0.9
72.99328	4.0
75.00871	7.0
78.95911	1.5
85.96656	0.4
90.27238	0.4
96.96961	3.8
97.02976	1.0
98.22650	0.5
105.01936	100.0
106.02291	1.1
107.53149	0.5
125.24460	0.4
142.29306	0.4
203.01997	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	203.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	14.1
55.01867	5.3
57.03434	14.0
59.01075	2.7
59.01376	44.8
68.99834	11.5
69.00140	2.4
70.10915	2.4
70.11235	4.9
71.01009	4.6
71.01379	60.6
72.00908	19.8
72.99289	8.9
73.02943	8.4
74.02474	36.9
75.00871	63.9
80.94535	2.3
80.99823	13.0
83.01379	16.7
85.02943	12.6
88.86787	2.5
89.02438	11.8
96.99322	13.1
98.00095	31.1
99.00877	64.1
101.02435	29.0
104.97739	2.8
105.01952	2.5
112.98807	100.0
113.02451	48.8
116.05064	97.5
117.01957	14.2
121.64862	2.3
125.99557	3.1
127.00382	3.1
129.01970	4.5
130.06625	2.4
131.03505	51.1
140.97215	5.0
140.98300	87.0
142.06618	23.7
145.01436	12.1
158.99342	9.1
159.03046	3.5
159.09308	17.9
160.97685	7.3
173.00894	33.2
174.99188	20.4
175.03955	3.6
186.05576	5.7
202.98715	9.2
203.01915	17.7
203.08250	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	9.2
53.84951	1.9
54.08969	1.9
55.01870	5.9
56.99810	3.6
57.03461	10.9
57.58902	1.8
59.01377	37.0
61.02933	2.6
68.50319	2.2
68.99809	8.0
70.15563	1.9
70.84902	2.9
71.01384	43.5
72.99306	7.2
73.02937	6.4
75.00871	49.6
80.99824	10.2
83.01389	11.2
85.02944	14.1
89.02448	7.9
96.99306	5.4
98.00100	28.0
99.00257	3.6
99.00880	53.1
101.02425	21.2
105.01943	3.8
112.98808	100.0
113.01702	2.9
113.02447	37.9
117.01952	9.4
119.86593	1.9
125.02416	2.1
127.00366	2.6
129.01915	4.6
131.03506	39.1
132.98155	3.0
140.98305	79.4
142.93636	2.3
145.01402	12.8
147.04547	3.3
158.99341	8.0
159.03079	2.6
160.97690	6.9
171.31839	1.8
173.00928	29.1
174.99243	15.1
175.04008	11.9
202.94159	3.1
202.98714	7.1
203.01965	10.8
203.03537	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	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.31310	0.7
59.01373	3.6
59.39870	0.7
63.48695	0.7
63.65953	0.7
69.66794	1.2
69.67181	1.7
72.00903	18.9
74.02471	38.6
77.81301	0.7
113.02491	1.0
116.05061	100.0
117.05398	1.9
118.81461	0.7
130.02789	0.7
130.06613	2.3
132.08235	1.2
142.06618	28.7
157.07762	0.8
159.09277	19.3
174.99246	1.3
186.05661	3.8
202.98665	0.9
203.08266	68.9
204.08662	2.0
221.94931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.54045	0.3
59.01377	4.8
65.27329	0.3
70.80174	0.3
73.02950	0.6
85.02917	0.4
90.97137	0.3
91.86249	0.3
99.08168	0.6
104.97740	0.6
110.09114	0.3
121.02984	0.8
123.14056	0.3
125.09745	0.8
127.11293	12.1
132.98195	0.5
137.09787	0.5
139.11250	0.4
142.93613	0.3
143.92697	0.5
155.10782	6.7
157.12338	42.0
158.12695	0.9
160.97682	1.2
174.99214	2.5
178.37717	0.3
185.11861	0.7
201.11299	0.6
202.94107	0.7
202.98764	1.0
203.12872	100.0
204.13208	3.0
209.07565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29776	1.2
55.01881	3.0
57.03441	4.4
58.02969	1.5
59.01379	31.8
61.64679	1.5
64.27264	1.5
64.50993	1.6
67.01889	8.3
68.99804	3.1
71.01012	2.1
71.01381	29.5
71.05018	2.6
72.99305	19.7
73.02951	10.0
74.02448	1.4
75.00864	11.8
76.99754	1.4
83.01375	5.7
85.02950	5.6
87.00329	3.0
87.00871	54.6
87.05618	1.4
89.02424	3.8
95.60340	1.2
96.99283	2.4
98.21797	2.7
98.89481	1.4
99.00877	17.2
99.04517	3.0
101.02417	7.6
103.00343	1.6
111.00880	100.0
112.98800	10.3
115.00374	31.7
117.01980	6.4
124.98805	6.0
125.02467	11.9
127.00375	3.8
129.01901	6.7
130.99744	1.6
131.04597	3.2
142.99910	7.9
143.03505	9.6
145.01425	6.4
154.99828	5.9
173.00883	4.6
175.02414	1.6
187.02414	1.5
205.03514	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22424	3.6
55.01871	15.3
55.59079	3.8
57.03444	25.3
59.01377	76.1
60.99285	4.2
67.01887	11.0
68.99809	10.9
69.67307	8.8
69.67688	6.1
71.01375	100.0
72.99306	95.9
73.02945	24.1
74.00080	5.6
74.03712	3.2
75.00870	73.0
82.41412	3.2
83.01382	41.8
85.02952	26.8
87.00869	35.8
88.88512	3.7
89.02442	55.0
96.99310	4.0
99.00871	84.6
100.98801	13.0
101.02442	16.9
111.00867	51.5
112.98804	74.4
113.07242	6.2
115.00362	73.6
117.01949	7.0
119.93912	3.6
124.98779	6.8
125.02428	6.6
127.00354	10.0
129.01938	58.7
133.01413	17.0
142.99847	19.8
145.01472	17.4
148.04417	7.8
154.99854	4.2
157.06148	7.8
173.00906	7.5
175.02408	5.2
205.03497	5.0
205.06506	13.3
205.15976	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	205.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08981	0.3
58.02991	0.6
59.01381	3.3
64.69194	0.4
65.00333	0.6
71.01380	4.1
72.99334	1.8
73.02953	0.6
75.00877	1.5
75.30626	0.3
78.62246	0.3
83.01404	0.6
87.00880	1.9
91.01893	8.3
93.03476	2.2
99.00874	1.8
101.02465	0.4
103.01871	0.9
111.00872	0.8
115.00365	4.4
117.01957	0.5
117.03439	0.4
119.01390	22.8
120.01672	0.4
121.02992	0.4
124.98800	0.6
127.00401	0.7
129.01994	0.8
133.02965	0.6
133.06613	0.6
139.56010	0.3
142.99887	1.2
145.01442	0.6
145.02925	0.6
147.00887	11.5
154.99861	0.6
161.02435	1.1
161.06094	1.2
162.03232	0.9
162.59529	0.4
163.11275	0.4
164.07210	0.6
165.01956	2.8
175.00362	52.2
176.00719	1.3
189.01968	1.9
190.02715	100.0
191.03110	2.8
194.98816	0.4
205.05052	25.4
205.12404	0.4
205.15977	0.9
206.05417	0.8
206.08330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68845	1.2
59.01377	12.4
62.60934	1.3
63.10435	1.2
65.03940	2.0
68.99815	2.0
69.30845	4.7
71.01374	2.8
77.03951	4.4
79.05556	1.9
85.02995	1.5
89.03947	2.4
91.05537	20.6
93.03461	21.1
95.05038	5.2
98.21824	2.1
98.79752	1.2
105.03452	15.9
106.04258	5.5
107.05027	48.1
112.98804	1.2
113.38817	1.5
117.01864	1.1
117.03455	4.1
119.05051	7.2
121.02938	12.5
123.04518	13.8
129.01921	1.6
133.02974	6.7
134.03738	100.0
135.04529	93.7
136.04852	3.1
143.51178	1.6
146.21620	1.2
148.01680	4.9
149.02437	11.5
151.03992	1.4
152.01100	1.5
161.04451	1.6
162.03242	3.2
163.04002	74.3
164.04590	1.5
165.01941	5.5
177.01964	4.2
192.04320	5.5
193.01392	23.9
195.86125	1.4
200.91325	1.3
207.01129	4.2
207.02991	4.2
207.06667	3.8
207.10262	1.8
208.03780	1.9
220.46875	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	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.98835	2.8
63.17482	1.1
69.51582	1.2
71.46168	1.3
80.91693	3.2
92.71813	1.1
93.07840	1.3
101.92429	1.1
104.87686	1.0
120.02173	9.1
121.02958	100.0
151.02643	1.5
164.94113	4.1
166.94063	1.3
209.04343	15.0
209.07843	1.6
221.11549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.92471	0.3
59.01387	0.9
69.30618	0.7
69.31021	0.8
77.03983	0.4
91.01909	0.8
95.01533	0.3
112.04124	0.4
119.86694	0.3
120.02177	11.7
121.02958	100.0
122.03256	1.4
136.01620	0.6
151.22543	0.3
209.04533	11.2
209.11681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12018	0.2
59.01396	1.2
61.98827	0.4
70.30560	0.6
70.82296	0.3
77.03996	0.3
83.05038	0.4
84.28567	0.3
91.01939	0.7
92.02723	0.3
105.00291	0.3
112.04098	0.4
120.02172	10.1
121.02955	100.0
122.03283	1.6
133.20894	0.3
135.68279	0.3
136.01659	0.8
151.02786	0.4
164.94141	0.5
165.01985	0.4
191.10777	0.3
203.90948	0.3
208.93120	0.3
209.04489	12.1
209.11653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76382	1.2
53.40570	1.4
55.01870	1.9
57.03446	17.3
59.01379	32.8
71.01377	15.8
71.39010	1.3
72.99306	1.4
73.02972	2.1
75.00861	1.7
78.95923	2.3
80.52960	1.5
83.01389	8.3
84.02145	2.0
85.02950	34.1
87.00874	81.9
87.04529	1.8
89.02457	15.2
99.00880	17.8
101.02471	6.7
110.89946	1.8
110.98450	1.4
111.00887	3.2
114.05595	1.8
115.00392	2.2
115.04010	6.9
119.03511	3.6
129.01941	43.1
131.08264	100.0
133.01411	4.1
156.07729	3.7
159.02971	7.6
173.10432	69.8
204.33684	1.4
209.06660	61.3
210.06920	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	209.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76382	1.2
53.40570	1.4
55.01870	1.9
57.03446	17.3
59.01379	32.8
71.01377	15.8
71.39010	1.3
72.99306	1.4
73.02972	2.1
75.00861	1.7
78.95923	2.3
80.52960	1.5
83.01389	8.3
84.02145	2.0
85.02950	34.1
87.00874	81.9
87.04529	1.8
89.02457	15.2
99.00880	17.8
101.02471	6.7
110.89946	1.8
110.98450	1.4
111.00887	3.2
114.05595	1.8
115.00392	2.2
115.04010	6.9
119.03511	3.6
129.01941	43.1
131.08264	100.0
133.01411	4.1
156.07729	3.7
159.02971	7.6
173.10432	69.8
204.33684	1.4
209.06660	61.3
210.06920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Cucurbic acid
Peak:m/z	Relative Intensity
55.54123	1.2
59.01378	3.9
60.30566	1.3
60.99311	2.0
61.98832	1.6
72.31631	1.4
85.00012	1.6
85.00424	9.8
92.05046	1.6
95.01401	2.4
97.06641	1.5
106.38734	1.4
111.38137	1.4
113.06087	100.0
116.70017	1.3
124.18639	1.6
139.07721	1.7
141.86864	6.9
142.87624	1.6
149.13353	86.2
156.93880	2.5
164.98172	2.0
210.91432	2.9
211.03638	1.9
211.13397	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74780	0.3
58.81221	0.3
59.01380	3.1
61.60803	0.3
62.74001	0.3
78.95892	0.5
87.00869	1.2
90.07748	0.4
99.92586	0.5
112.04012	0.4
127.00154	0.5
130.08739	100.0
131.09059	1.4
139.08768	0.3
146.51178	0.3
163.36075	0.3
168.99892	0.5
212.09116	1.9
212.13551	0.5
213.12605	0.3
231.13129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
53.39590	0.3
54.94354	0.3
57.03436	0.4
59.01367	0.7
89.10944	0.3
97.06581	0.8
98.22588	0.8
144.14754	0.3
151.11292	14.6
152.60178	0.4
164.16747	0.3
169.12338	100.0
170.12680	2.8
192.04675	0.3
195.10228	0.6
197.99152	0.6
213.11319	15.8
213.14932	1.3
214.11397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
60.39425	0.8
61.98835	1.0
69.73270	3.2
76.64457	0.9
85.35402	0.8
98.21888	1.2
120.93427	0.8
143.86488	1.3
151.11279	12.2
169.12337	100.0
170.12691	3.7
176.46284	0.9
177.90285	1.9
186.64220	1.0
195.10234	1.4
211.71672	0.8
213.01582	1.1
213.11307	23.7
213.14755	4.8
216.44186	1.0
234.19397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01367	4.0
61.45338	1.2
61.98829	1.8
69.78399	1.1
77.56944	1.0
85.00422	2.6
117.05139	1.1
122.65873	1.0
123.05609	2.1
125.87317	4.1
126.09290	1.6
130.20967	1.0
143.86583	5.8
147.96942	1.1
161.87538	1.4
167.87048	2.2
177.90279	3.4
178.93367	1.1
183.13911	25.7
195.13898	23.7
197.99132	2.4
213.01460	1.3
213.14958	100.0
214.15271	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	215.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14302	2.7
56.56477	2.8
59.01365	8.7
61.98828	4.6
65.00291	3.3
71.01363	4.4
75.00847	4.1
81.88410	3.0
84.99303	3.2
87.43320	3.0
89.02428	9.1
98.21879	8.2
99.00858	9.5
103.01538	3.4
114.93417	6.1
116.92836	15.3
122.89409	11.1
134.86551	4.6
144.00897	13.5
156.97757	4.8
171.01955	4.8
178.90341	3.9
186.89734	5.1
197.85658	10.6
214.85950	8.0
215.00992	100.0
215.13023	4.0
216.00974	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	215.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69201	1.1
59.01388	8.7
61.98829	3.3
64.64369	1.2
68.69019	1.1
70.01853	1.2
75.00856	1.6
84.99301	1.3
89.02425	2.1
94.92522	1.4
96.95999	4.7
99.00870	3.1
103.01501	5.8
114.93413	1.8
116.92884	6.5
122.89420	4.9
127.87014	3.4
142.75958	1.2
144.00905	12.6
156.97806	2.0
171.02016	3.5
177.90372	2.3
178.90332	2.5
186.89758	2.7
193.12311	1.1
197.85651	4.1
214.85822	3.0
215.00990	100.0
215.12859	2.2
216.01285	3.0
230.23834	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	217.1193
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
58.02972	4.1
59.01377	91.4
60.01707	0.6
60.99310	1.8
62.11693	0.4
71.01405	0.8
71.05045	0.5
72.00903	0.7
72.99303	3.9
73.04090	1.3
74.02468	28.4
79.91213	0.5
82.06216	0.5
82.06622	3.1
84.08189	0.5
85.02966	0.4
85.04079	1.7
87.00848	0.5
88.04045	1.5
90.97102	0.5
99.00893	0.5
104.03536	3.5
112.07703	1.3
114.09270	0.5
116.07183	9.3
118.96575	0.6
126.09244	7.4
126.55701	0.4
128.10818	1.2
129.10345	5.5
130.08731	5.0
132.98212	1.8
138.09241	0.7
139.08774	4.6
141.10341	7.0
143.11897	35.9
144.55731	0.4
146.08276	0.9
152.07216	0.6
153.10321	1.8
155.11902	31.0
156.12234	0.9
169.09828	12.9
171.11365	1.0
173.09305	11.4
174.99228	30.9
175.99605	0.7
185.87410	0.6
187.10872	100.0
188.11232	1.8
190.45642	0.4
216.97147	0.5
217.00282	24.2
217.11920	54.9
218.02332	0.9
218.10258	0.5
218.12247	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	217.1192
Annotation	Ser Leu
Peak:m/z	Relative Intensity
53.41225	0.3
59.01376	100.0
60.01721	0.6
71.01411	0.5
71.05028	0.9
73.04056	1.7
75.06113	0.4
88.04044	4.2
90.97100	0.4
96.96003	0.9
130.08734	10.0
130.09651	0.7
132.98218	2.3
143.11880	2.4
146.08177	1.9
161.90530	0.4
169.67210	0.3
174.99236	29.9
187.10873	12.2
217.00281	27.3
217.02501	0.6
217.04813	0.5
217.11934	6.5
218.00652	0.7
218.10312	1.1
238.26976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
53.88577	0.4
59.01379	6.5
60.01722	2.1
63.13208	0.3
71.01012	0.7
71.01384	10.3
71.05020	18.1
72.00920	0.6
72.04539	0.4
78.88518	0.4
86.50293	0.4
88.04043	100.0
88.13461	0.4
89.04365	0.8
99.04525	5.5
116.03532	0.7
116.07166	2.7
129.05577	1.1
146.08234	48.9
147.08548	0.6
174.99275	0.8
175.99593	1.1
195.19673	0.4
218.00671	1.8
218.10341	29.1
219.10548	0.4
219.17473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.01708	1.0
62.27008	0.4
70.94647	0.6
70.94974	0.5
71.01378	11.1
71.05016	17.2
72.00899	0.4
81.84602	0.4
88.04038	100.0
89.04344	0.5
90.23009	0.4
96.93166	0.4
99.04508	4.4
99.22346	0.4
116.03555	0.5
116.06471	0.4
116.07162	2.8
129.05571	0.8
146.08228	48.2
147.08601	1.0
151.02246	0.4
171.70360	0.4
172.68585	0.4
174.99341	0.5
175.99577	1.1
218.00659	0.8
218.10316	30.4
219.10661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0301
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
54.49179	0.5
56.99821	0.5
59.01376	21.7
60.99307	7.5
61.02939	0.7
64.01021	0.5
65.02444	1.6
69.87480	0.5
71.01378	3.9
71.42912	0.7
72.99306	100.0
73.02943	1.3
74.00090	10.4
75.00873	10.2
78.46242	0.6
83.01374	0.7
87.00875	5.5
89.02443	83.0
99.00882	1.9
101.02396	0.8
105.01933	6.4
111.78607	0.5
115.00368	16.0
117.01918	1.9
122.32539	0.5
127.00371	0.8
129.01924	1.5
133.01430	35.5
145.01427	8.1
161.04507	1.1
161.97928	0.6
165.46645	0.6
177.03975	0.7
203.53903	0.5
229.76978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53400	1.2
53.56315	1.3
59.01379	100.0
60.99308	8.3
64.95251	19.9
69.68513	1.2
71.01374	16.5
72.99310	62.1
73.02951	13.9
74.00091	6.1
75.00865	10.8
78.95903	3.7
83.01363	2.9
85.02948	5.9
87.00873	10.5
89.02444	49.9
97.02966	1.3
99.00903	2.8
101.02434	9.7
105.01894	2.5
113.02451	5.2
115.00366	13.2
128.65399	1.2
131.03494	5.0
133.01439	21.9
141.49025	1.2
145.01387	6.8
150.14162	1.3
159.02934	1.4
161.04585	11.5
178.98590	6.2
220.99556	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	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.00900	0.6
52.73064	0.4
57.03456	0.5
59.01377	100.0
60.07274	0.5
60.99310	3.0
63.49237	0.5
64.95248	5.9
68.86165	0.6
69.30515	2.9
71.01384	5.0
72.99308	25.3
73.02951	9.1
73.04079	1.9
74.00097	1.5
75.00852	3.6
78.11591	0.5
78.95914	4.7
83.01387	1.3
85.02966	2.4
87.00880	5.4
89.02442	14.1
99.00898	1.6
101.02443	2.8
105.01969	1.5
110.32661	0.5
113.02465	1.8
115.00363	8.1
118.99347	0.6
129.01961	1.2
131.03540	2.2
133.01434	7.9
133.05074	0.6
145.01425	3.7
149.06100	1.1
161.00780	2.3
161.02414	1.1
161.04559	9.6
177.04111	0.6
177.05586	1.7
178.98468	3.4
211.81279	0.5
220.99426	3.0
221.02631	1.2
221.09436	1.6
221.15526	0.8
225.21988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.093
Annotation	Phe-gly
Peak:m/z	Relative Intensity
59.01377	26.1
70.39006	0.8
72.00906	1.3
73.02950	1.9
73.04066	100.0
74.02483	1.3
75.81003	0.6
85.04086	1.0
91.05528	7.2
116.74408	0.5
118.99310	0.7
123.43356	0.5
133.66423	0.5
136.69368	0.4
141.75890	0.5
147.04521	18.1
149.06036	0.5
157.77625	0.4
161.00352	4.3
161.02449	0.8
161.04565	1.7
164.07162	21.5
177.05489	0.9
177.10309	2.8
178.98557	1.2
220.99507	1.1
221.02446	3.5
221.09311	50.5
222.09618	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	221.1545
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.84225	0.1
59.01380	1.8
70.95163	0.1
71.01392	0.1
71.05022	0.1
73.02941	0.1
92.97818	0.1
98.22615	0.2
127.07669	0.1
141.61212	0.1
148.05284	0.3
149.05878	0.4
151.07689	0.2
152.94913	0.1
161.04610	0.2
162.83885	0.2
164.08418	1.8
164.91457	0.1
165.09161	0.2
178.98555	0.1
205.12331	1.4
206.12651	0.9
207.13963	0.3
220.14680	3.2
221.15451	100.0
221.84322	0.3
222.15791	3.6
235.13379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.5
60.01705	1.0
61.98838	0.4
63.99225	0.3
70.05842	0.6
72.00906	9.4
74.02473	32.7
79.63782	0.3
89.02469	0.5
89.47086	0.3
89.54062	0.3
91.05536	2.9
96.35990	0.3
104.03537	100.0
104.44356	0.3
105.03908	0.4
117.03464	2.2
141.86722	0.3
160.07668	0.8
160.66969	0.3
162.56358	0.3
162.83925	0.8
171.40353	0.3
174.05626	0.8
180.07246	0.3
192.06682	2.0
208.03725	0.4
221.84200	2.2
222.07715	5.3
222.15744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76371	0.6
59.01379	6.1
60.01697	1.9
61.98817	1.1
70.64956	0.8
72.00907	9.9
74.02473	30.1
91.05541	2.8
104.03539	100.0
109.34588	0.6
117.03460	2.4
135.26564	0.6
141.86797	1.6
146.06093	0.9
160.07707	1.1
162.83936	7.6
176.83691	2.1
184.87538	0.7
185.87495	0.5
192.06668	2.1
193.01422	1.0
210.86720	0.6
221.84145	12.1
222.07695	6.9
222.84433	0.7
224.40378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96097	0.3
59.01378	2.1
69.20206	1.2
73.02921	0.2
99.63915	0.3
108.02065	0.2
110.99107	3.6
111.99900	1.2
120.02166	1.8
123.99899	0.4
135.63934	0.2
135.98892	0.4
135.99879	5.7
141.01709	0.3
147.00862	0.5
147.14616	0.2
149.02454	0.8
150.98561	0.3
151.99391	4.4
162.99973	0.4
163.03983	0.3
163.99387	0.4
164.04759	0.5
165.01915	0.6
175.00348	0.8
178.98091	2.1
179.10693	0.4
179.98868	11.8
193.01389	0.6
207.98346	100.0
208.03545	1.7
208.98701	2.1
223.00696	43.9
223.13365	0.5
224.01025	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	223.0283
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
51.37156	0.1
59.01380	1.3
59.96730	1.1
61.98829	0.3
69.43662	0.2
69.44060	0.4
73.01128	0.2
74.99071	15.3
75.96246	0.2
75.99035	0.2
82.11207	0.1
93.00131	6.6
93.60121	0.1
96.95984	0.1
97.48009	0.1
107.01401	0.1
118.39198	0.1
121.02906	0.1
141.01703	0.4
141.86833	0.2
149.00955	11.9
150.00970	0.3
150.98845	0.7
165.01796	0.1
176.83708	0.4
206.99683	5.5
207.99817	0.2
208.03691	0.2
223.02823	100.0
224.02872	4.5
225.00787	0.3
241.03882	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24964	1.5
55.01868	2.6
57.03431	3.9
57.43925	1.4
58.62440	1.5
59.01379	5.4
62.26950	1.4
62.95875	1.4
64.93296	1.4
69.03469	1.9
69.71554	1.5
70.58089	3.2
71.01385	3.1
72.99309	31.2
73.99644	1.8
75.00880	7.4
78.95906	29.7
81.03448	17.9
83.86826	1.4
85.02952	25.8
87.00875	6.3
95.39037	1.4
96.96006	6.7
96.96954	9.8
99.00883	16.7
102.19178	1.8
103.05942	1.6
113.02446	7.0
117.01955	3.5
124.42961	1.5
125.02450	49.1
126.02834	2.0
127.80588	1.5
129.01938	59.9
143.03468	7.8
147.03009	26.7
147.04927	4.1
160.51344	1.8
165.03947	2.8
169.01460	2.7
175.01591	1.5
199.24088	1.6
205.03528	34.3
205.05362	2.9
223.04601	100.0
224.05042	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	223.0612
Annotation	Sinapate
Peak:m/z	Relative Intensity
51.11244	0.8
51.37439	0.8
65.00267	0.9
70.78284	1.6
84.97634	0.9
93.03458	15.8
93.73590	0.9
121.02959	36.2
135.04538	10.7
137.02409	1.2
140.31813	0.8
148.01656	1.0
149.02446	62.9
150.02841	1.7
151.03957	1.2
152.01157	9.1
163.03996	17.4
164.04788	59.6
165.01913	15.6
167.03468	1.1
169.05084	3.0
179.07132	13.4
193.01411	78.4
194.01804	2.0
207.02861	0.9
208.03761	100.0
209.04028	2.8
223.06110	53.6
224.06433	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	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.60847	4.9
59.01375	58.3
70.67071	10.0
81.07128	7.2
99.04543	7.4
135.11797	9.7
161.09825	7.4
179.10770	100.0
208.03854	7.9
223.02686	18.4
223.09767	56.8
223.13423	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01375	33.2
60.07989	1.7
61.98833	10.8
69.03455	3.1
70.27872	4.5
70.39447	1.9
71.01376	2.3
71.05017	2.0
74.99068	3.7
77.62333	1.5
93.00101	2.2
94.47170	1.7
96.96014	3.8
141.01691	11.8
141.86800	8.6
149.00946	5.6
149.09644	2.1
151.02821	2.7
151.04027	6.3
159.87842	2.1
164.83620	4.0
165.01996	2.6
166.06339	24.2
167.10783	4.6
176.83694	22.2
179.10770	3.1
179.14420	6.8
193.01431	1.8
195.13887	37.3
205.12331	14.3
208.03717	3.4
220.15242	1.9
223.02809	34.8
223.07402	2.8
223.13393	100.0
223.83900	3.1
224.13667	2.0
227.75566	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
56.97193	0.2
59.01377	100.0
60.01709	0.4
68.47065	0.2
70.97554	0.3
71.05019	0.8
74.68773	0.2
74.99082	0.5
80.74172	0.3
82.31460	0.3
84.16631	0.2
87.00892	1.0
93.07090	0.2
110.09792	0.4
124.60238	0.2
135.11800	0.3
141.01781	0.3
159.89230	0.3
161.13377	2.0
163.11313	0.5
164.04947	0.3
179.11916	0.7
193.01479	0.4
208.03761	0.5
223.02841	2.4
223.13385	18.7
224.13670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01377	100.0
61.98849	0.5
62.53045	0.5
64.14194	0.5
69.25053	1.1
69.25450	1.9
69.54463	0.5
71.01340	0.5
73.40925	0.4
84.60075	0.4
94.94666	0.5
141.01700	0.9
161.13370	0.9
165.01959	0.6
179.10759	1.4
179.83371	0.5
193.01382	0.9
208.03679	1.3
223.02838	1.7
223.09767	1.3
223.13393	18.9
224.13776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Stagonolide
Peak:m/z	Relative Intensity
50.88961	10.8
59.01363	35.5
61.98827	81.7
68.99805	12.9
69.73909	30.5
73.27950	9.9
93.50756	9.6
98.22581	20.3
99.10052	10.5
101.02435	33.1
123.04577	10.6
126.90515	19.0
130.38895	11.1
137.02428	12.7
143.86504	25.6
162.83882	15.1
163.11282	16.4
173.55595	9.5
178.83417	97.3
181.12320	29.7
194.20680	10.2
207.10268	57.1
224.90802	14.9
225.11349	100.0
225.92795	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	225.1495
Annotation	Annuionone E
Peak:m/z	Relative Intensity
54.03248	0.5
59.01366	2.8
78.46577	0.6
79.02515	0.6
82.22024	0.5
147.31741	0.6
163.14969	1.3
169.12289	0.8
181.12306	1.3
183.08134	0.6
195.13914	7.2
197.15407	4.5
200.83830	0.7
207.13898	24.7
208.14325	0.7
225.14948	100.0
226.15334	2.7
236.78777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
58.02966	0.5
59.01378	1.7
70.58898	0.7
71.74966	0.4
72.04543	0.5
78.41798	0.3
80.05073	0.6
81.03452	14.3
82.06620	1.2
83.05024	80.1
84.05363	1.0
93.03464	1.0
96.96017	0.6
101.02422	0.7
107.06112	0.5
108.04539	0.6
121.02950	0.5
125.07217	3.5
126.05614	0.4
138.09258	0.4
143.08243	2.8
166.12378	0.6
179.97321	0.3
182.04694	0.4
182.08154	0.5
197.05956	0.5
207.15012	9.0
225.05473	1.1
225.16074	100.0
226.16458	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39883	1.4
55.01862	1.5
57.03442	8.9
59.01366	6.8
60.99299	2.2
68.74551	1.4
68.99794	4.4
69.53610	3.5
71.01378	27.4
73.02945	7.3
73.35001	1.5
78.95908	1.7
80.60892	1.6
83.01378	12.1
85.02956	13.0
87.00870	4.9
88.98767	3.4
96.95975	1.4
98.55863	1.6
99.00876	84.5
101.02435	6.4
111.00872	35.1
112.98807	100.0
115.00359	3.9
127.04040	3.5
129.01936	23.6
136.39964	1.5
142.99875	8.4
159.12476	1.5
172.99397	2.2
173.00894	33.4
183.13994	1.7
191.01944	7.4
198.97711	1.5
208.98593	3.0
209.77371	1.7
226.99611	15.2
227.20177	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39883	1.4
55.01862	1.5
57.03442	8.9
59.01366	6.8
60.99299	2.2
68.74551	1.4
68.99794	4.4
69.53610	3.5
71.01378	27.4
73.02945	7.3
73.35001	1.5
78.95908	1.7
80.60892	1.6
83.01378	12.1
85.02956	13.0
87.00870	4.9
88.98767	3.4
96.95975	1.4
98.55863	1.6
99.00876	84.5
101.02435	6.4
111.00872	35.1
112.98807	100.0
115.00359	3.9
127.04040	3.5
129.01936	23.6
136.39964	1.5
142.99875	8.4
159.12476	1.5
172.99397	2.2
173.00894	33.4
183.13994	1.7
191.01944	7.4
198.97711	1.5
208.98593	3.0
209.77371	1.7
226.99611	15.2
227.20177	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	227.0713
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
59.01383	0.8
60.47882	0.5
61.98814	0.5
65.13934	0.6
67.01875	0.7
68.99802	1.0
95.04987	0.6
99.00886	1.1
101.02460	1.9
107.05003	0.6
111.91187	0.5
112.98782	1.3
117.03455	1.0
119.05025	1.6
121.30620	0.6
127.04021	1.6
128.77878	0.5
141.07101	2.2
143.05023	19.8
144.05449	0.6
145.02965	0.8
150.37607	0.7
157.06593	3.4
159.08136	4.0
165.12851	0.6
181.06587	1.9
182.07327	2.8
183.08156	6.3
183.10304	0.8
185.06075	23.3
208.93402	3.2
209.11696	1.1
225.05510	0.7
227.07132	100.0
227.12848	3.8
227.20129	3.2
228.07562	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	227.0713
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
69.21150	0.9
69.21554	2.3
75.52110	0.5
98.21879	1.3
101.02404	0.9
114.18402	0.6
119.05003	1.8
127.03972	0.8
141.07086	1.4
143.05025	16.0
145.02988	1.3
157.06558	2.1
159.08168	4.7
181.06592	1.7
182.07309	2.7
183.08119	4.9
185.04410	1.2
185.06073	21.3
185.84824	0.5
186.06544	0.7
208.93365	0.7
209.11859	0.7
209.75902	0.6
210.34052	0.6
226.05981	1.0
227.07124	100.0
227.20160	1.2
228.07510	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	227.0715
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
50.32495	1.8
51.69712	1.7
67.01879	3.2
68.99811	3.3
70.30978	4.4
94.40676	1.7
98.21998	2.2
101.02431	10.7
107.83585	1.8
127.04002	8.3
143.05020	22.2
157.06618	2.3
159.08150	6.0
167.68210	1.8
180.83095	6.0
181.06458	2.1
182.07390	2.6
183.08170	5.0
185.06096	22.2
208.93340	8.7
209.11826	5.7
220.23828	1.7
227.07138	100.0
227.13109	4.3
227.20180	6.2
228.07436	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	227.0925
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
57.03439	0.5
62.53571	0.5
67.01907	0.5
68.99807	0.6
69.98646	0.7
69.98976	1.0
72.99305	100.0
74.07883	0.4
75.00872	4.9
79.20075	0.4
88.04041	0.8
93.03442	0.9
95.73472	0.5
97.02979	0.7
98.22562	0.8
101.02424	1.0
103.05346	0.4
107.05076	0.5
108.05754	0.7
108.83990	0.5
109.06591	0.5
113.03584	1.6
121.03004	1.2
122.03784	0.6
123.08250	0.5
125.06097	0.5
126.95634	0.4
127.04013	1.3
137.06120	0.7
138.06886	1.3
139.07661	3.2
150.06772	0.5
151.07649	4.1
152.08434	3.3
153.09201	3.0
165.09172	5.3
165.10446	0.6
181.06592	0.5
183.13866	0.6
185.06102	1.0
199.07724	0.9
209.06247	0.9
209.08046	2.3
209.11678	0.5
210.06920	1.2
226.06288	3.8
227.07124	23.3
227.09291	41.7
227.20210	2.6
228.07516	1.1
228.09657	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16206	0.4
57.03432	1.5
59.01373	1.4
67.01881	1.2
68.99819	0.6
69.21999	2.6
71.01376	0.8
71.05019	1.1
78.28986	0.5
80.02669	0.5
80.74973	0.5
81.03437	0.5
83.05016	3.3
84.02155	0.8
95.05048	0.9
97.06602	2.7
101.02431	1.7
109.11388	0.4
111.08161	4.4
112.98871	0.7
127.04007	1.7
136.95772	0.4
139.11310	0.6
147.11713	0.6
163.11266	2.2
165.12846	25.6
166.13179	0.9
181.12344	0.4
183.13896	28.4
184.14288	0.8
191.10759	0.7
208.93469	0.5
209.11824	41.8
210.12157	1.0
227.12889	100.0
227.20184	1.2
228.13234	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.74121	0.5
68.99821	0.8
70.88997	1.0
99.00878	0.8
101.02448	1.5
111.08179	0.6
114.37292	0.6
126.26493	0.6
127.04028	1.5
162.17505	0.5
165.12836	17.9
180.83095	1.5
183.13885	100.0
184.14221	2.5
208.93385	3.0
209.11818	1.8
217.77629	0.6
227.12869	23.0
227.20158	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	227.1652
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
59.01359	0.9
59.20801	0.7
67.01901	1.5
68.99812	1.4
71.01360	0.7
79.09794	0.7
79.87605	0.7
79.89118	0.7
81.07088	3.3
91.03345	0.7
101.02435	3.0
127.04004	2.7
153.05579	2.2
165.12782	1.1
183.13898	2.7
197.15468	1.6
199.13400	3.2
208.93382	1.8
209.11797	3.5
209.15402	1.7
227.13197	9.9
227.16524	100.0
228.16862	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	228.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97338	0.2
53.38894	0.2
54.51626	0.2
55.36926	0.2
59.01377	3.2
69.63486	0.4
69.63851	0.4
71.01363	0.4
84.08155	0.2
99.00865	0.5
118.00554	0.4
130.08736	100.0
131.09061	1.0
132.02087	0.5
168.99915	0.3
209.59525	0.2
238.06056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
66.89571	0.5
67.87142	0.5
69.41725	2.3
70.02972	1.3
71.01380	6.8
77.52837	0.6
85.45439	0.5
88.04037	100.0
89.04397	0.9
89.18269	0.5
95.05026	0.6
95.43031	0.5
96.99319	1.3
112.07677	3.2
113.06088	9.9
114.01971	7.5
114.99552	0.8
115.00373	14.8
128.31874	0.5
132.03023	69.2
133.03328	0.8
176.18080	0.5
184.09737	5.0
190.45630	0.5
210.07664	2.0
228.08765	23.0
228.12210	0.9
229.09042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1604
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
59.01371	1.9
62.13744	0.7
66.30797	0.7
66.75240	0.7
69.56302	3.1
71.01406	0.8
71.04955	0.7
100.07666	2.6
105.45578	0.7
109.06589	2.6
111.08162	2.1
127.07642	8.8
139.11330	1.9
172.84271	0.8
182.15521	0.9
220.89073	0.7
228.16037	100.0
229.16348	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01843	0.2
57.03456	1.0
69.03463	0.3
71.05015	0.2
71.46980	0.2
83.05012	0.7
84.02170	0.3
84.16281	0.2
85.02942	0.6
86.08120	0.2
97.06569	0.3
125.09728	2.5
127.11294	4.1
143.10753	0.3
155.14452	0.9
165.12791	1.0
167.14430	2.4
171.08998	0.1
171.10265	3.8
181.12282	0.2
183.13898	1.9
193.12334	1.0
209.11818	2.9
210.12224	0.2
211.13387	11.0
212.13736	0.4
229.14436	100.0
230.14792	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
67.32005	0.2
71.05023	0.7
73.73014	0.2
83.05039	0.3
84.02177	0.6
85.02957	0.6
97.06575	0.6
125.09721	4.5
127.11295	5.2
127.12199	0.4
128.11717	0.2
155.14426	2.4
165.12842	0.9
167.14418	1.5
171.10234	0.4
183.13948	0.6
185.15468	0.3
193.94289	0.2
209.11856	1.7
211.13416	3.9
229.14447	100.0
230.14806	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.05360	2.0
59.01384	11.1
69.12638	3.1
69.13036	11.1
85.00426	1.9
85.80435	2.2
96.37347	2.3
97.74354	2.1
103.01497	5.4
124.31024	2.3
125.87251	2.1
127.11279	6.1
141.86774	2.7
149.80858	2.1
159.60306	2.1
167.87135	19.6
170.88385	6.2
171.10248	5.5
186.15848	2.1
190.20926	2.4
209.11781	2.3
211.13383	8.3
213.86380	2.8
220.71466	2.3
229.02599	10.2
229.14430	100.0
230.14706	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.59082	1.1
59.01374	5.8
62.51878	0.9
71.01378	1.3
71.46574	0.8
79.95730	1.2
83.05012	1.8
98.83556	0.9
99.49562	0.8
99.92612	1.3
123.04642	0.9
128.44008	1.0
141.05560	0.9
143.05058	0.9
149.06094	9.8
159.06610	1.0
167.92264	0.9
169.12337	9.9
181.12306	4.3
183.13873	1.0
193.12340	5.5
199.13377	2.4
211.13426	14.0
228.99666	1.1
229.02086	3.9
229.14432	100.0
230.14848	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	229.1556
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
67.70782	0.5
70.78278	0.8
72.91919	0.4
73.21571	0.4
74.19451	0.4
82.06617	0.6
98.06062	0.7
114.09248	1.5
115.08772	4.7
130.08739	31.8
134.48117	0.5
147.59943	0.4
178.36771	0.5
185.16594	26.6
186.16898	0.7
229.15565	100.0
230.15833	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
69.06265	3.2
69.06673	5.4
70.02964	1.6
71.01384	11.1
77.89142	1.4
82.93153	1.1
88.04037	100.0
96.99305	4.6
114.01967	9.6
114.09245	78.3
115.00368	22.0
115.07645	28.9
115.09618	1.8
132.03004	6.0
135.16806	1.3
135.76151	1.5
147.53210	1.4
168.10320	4.0
186.11365	25.4
212.09215	4.6
230.10304	58.7
230.15446	2.4
231.10545	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	231.1351
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
58.02977	3.8
59.01366	1.8
69.57670	2.1
72.00909	0.9
72.99313	11.8
74.02472	29.7
82.06608	2.9
84.08192	0.8
85.04071	1.9
94.50638	0.7
112.07691	0.9
114.09172	0.6
126.09244	8.5
130.08737	2.8
132.98209	6.3
139.08752	4.4
141.10344	6.0
143.11897	32.6
169.09821	12.1
169.13466	2.5
171.01512	0.9
187.10873	100.0
188.11214	2.3
188.97174	18.4
230.98189	2.8
231.13489	28.6
232.13760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.135
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.74360	0.5
58.50281	0.5
59.01382	1.5
59.56879	0.5
69.85719	1.3
69.86074	0.9
72.99304	4.9
73.04066	14.6
73.04485	0.9
84.08214	0.5
87.07706	0.5
92.61738	0.6
96.87859	0.5
114.09221	1.0
130.08736	85.1
131.09048	1.4
132.98184	2.5
143.11896	24.2
143.13028	1.3
170.88261	0.7
187.10872	100.0
188.11221	1.5
188.97186	5.3
190.02979	0.6
197.20377	0.5
230.98344	1.1
231.13481	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1602
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03458	1.3
59.01373	0.4
71.50796	0.3
71.51163	0.3
79.20473	0.3
85.65611	0.3
87.04497	0.3
96.91297	0.3
127.11318	2.4
154.88654	0.3
155.14409	0.8
167.14420	0.5
171.10265	3.7
183.13904	0.6
185.15498	0.4
195.13829	0.6
213.14969	4.2
229.14403	2.6
231.15999	100.0
232.16365	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.1
59.01379	55.6
60.99308	1.0
61.27785	0.9
67.01875	3.2
68.42118	0.9
69.11710	1.0
71.01381	30.6
71.01785	1.7
71.34338	1.3
72.99293	3.6
73.02952	8.2
75.00868	6.5
78.95895	2.6
83.01385	8.0
85.02956	7.1
85.22821	1.1
87.00851	2.3
88.08268	0.9
89.02461	1.0
92.00007	0.9
96.96961	5.4
99.00879	54.6
105.01931	100.0
106.02249	1.5
111.00168	1.1
111.00882	15.8
115.00360	2.9
117.72166	0.9
129.01935	20.5
173.00906	3.6
187.00992	1.7
233.02980	6.4
233.15489	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03439	19.0
59.01376	100.0
59.33021	1.8
60.99310	2.1
67.01884	6.8
68.68069	1.6
68.99820	2.3
70.57703	2.5
71.01379	63.5
72.99297	2.3
73.02937	14.5
75.00863	2.7
78.95897	29.7
83.01383	17.7
85.02943	16.0
85.11526	1.9
87.00882	3.2
88.98799	7.3
96.96036	10.1
96.96960	51.9
99.00874	94.8
101.02447	1.7
105.01926	37.3
105.02566	3.2
111.00874	30.1
115.00360	1.9
126.51259	1.8
129.01054	3.8
129.01939	41.7
129.02835	3.4
134.10242	2.1
135.02965	2.0
138.75664	2.0
140.70076	1.8
145.00870	6.4
156.11447	1.8
156.75464	1.7
173.00914	6.2
188.99849	3.4
192.18620	2.0
195.54196	2.1
218.94579	1.7
232.99039	3.8
233.02975	4.2
233.15497	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
59.96715	0.4
60.73696	0.2
60.97504	0.6
70.01890	0.7
74.99068	6.4
75.00877	0.3
80.88551	0.2
85.00418	0.5
91.02226	0.9
93.00139	2.0
98.46573	0.2
118.96234	1.2
129.63110	0.2
133.58145	0.3
134.99397	6.6
136.97314	2.1
143.05312	0.6
149.00952	66.1
150.00929	1.5
150.98892	0.5
159.08443	2.0
161.00365	0.3
161.06383	3.4
167.02061	0.3
171.86504	0.3
215.05548	1.2
217.07199	87.8
218.07294	3.9
233.10330	100.0
233.15294	8.5
234.10420	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	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.84718	0.2
59.01377	0.2
63.72831	0.3
80.54993	0.2
117.41568	0.3
120.36374	0.2
121.83685	0.2
139.49698	0.2
146.95001	0.2
152.42604	0.2
162.89330	0.3
179.07150	0.5
204.15146	0.6
207.13846	0.3
218.11816	1.9
219.12648	1.4
234.14980	100.0
235.13144	0.3
235.15315	3.6
251.11586	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	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19971	3.9
52.57521	4.3
59.01378	100.0
65.05010	5.3
71.01366	16.8
72.99313	7.6
73.02923	5.0
75.00539	3.9
75.00875	40.7
78.95889	8.0
85.02972	4.2
92.05038	5.2
94.95708	9.8
99.00892	26.5
100.98797	54.4
103.00378	16.0
108.97279	5.2
115.00344	13.1
117.00831	3.9
127.97505	10.6
142.99826	31.9
144.04533	6.3
146.97549	6.4
148.04018	23.6
148.52219	4.4
173.07204	6.0
175.02481	77.2
176.98012	4.7
185.78546	4.1
234.99174	7.6
235.07182	15.2
235.10970	5.4
236.05302	6.4
236.07504	5.8
252.80098	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	235.1088
Annotation	ALANYL-dl-PHENYLALANINE
Peak:m/z	Relative Intensity
52.53292	0.6
59.01378	17.3
69.73909	1.3
69.74271	1.5
70.02978	2.9
87.05636	100.0
88.06020	0.8
88.48094	0.6
91.05528	11.7
98.51183	0.6
109.85762	0.7
128.80383	0.6
131.03633	0.8
132.61166	0.6
147.04520	21.8
148.04904	0.7
151.01587	0.7
164.07161	8.1
189.81525	0.6
191.11842	4.6
207.95299	1.1
234.97504	0.8
235.10866	82.4
236.11111	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	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
57.03446	6.2
59.01380	43.8
61.98846	2.2
69.01374	1.8
70.64866	3.6
71.30668	1.7
71.74646	1.7
80.81848	1.9
85.02949	6.7
113.06074	2.5
121.06606	3.8
137.09729	23.3
147.08150	3.8
149.10889	1.9
153.94063	2.0
163.11293	100.0
163.12666	4.9
166.34497	2.0
173.09734	4.0
175.11317	4.7
201.09210	8.6
202.09973	2.3
207.95271	2.2
217.12314	50.2
235.13397	67.4
236.13593	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	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57023	0.1
59.01367	0.2
60.59642	0.2
69.66824	0.5
72.17287	0.2
116.92847	0.3
127.21422	0.1
133.14496	0.1
134.03757	0.5
135.04529	0.5
136.05304	0.5
148.05309	8.1
149.05952	0.3
149.09731	1.2
159.08148	0.2
162.06874	0.4
163.52139	0.2
175.07602	0.4
176.08385	0.7
177.09209	43.8
178.09544	1.2
189.09151	0.2
190.09991	1.8
191.10715	0.8
192.11562	30.5
193.11981	1.3
201.09181	0.5
202.63600	0.1
203.07108	0.7
206.32397	0.1
216.27643	0.1
217.08698	3.2
218.09476	8.5
219.09988	0.3
236.10533	100.0
237.10902	3.8
248.42531	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.062
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
59.01376	1.6
70.40121	0.5
73.02956	0.2
76.96998	3.5
79.10476	0.3
80.96543	0.7
88.65225	0.2
94.98082	0.5
98.21873	0.2
118.96269	0.7
120.94252	0.9
136.97324	5.6
138.95259	1.1
152.96812	7.8
154.94672	0.2
156.85547	0.2
170.97879	0.5
194.08235	0.5
201.04131	1.2
203.01907	0.3
217.03511	0.8
219.05132	100.0
220.05247	3.5
221.03065	4.6
237.06184	40.1
238.06361	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	237.0769
Annotation	Radicinol
Peak:m/z	Relative Intensity
54.35562	0.3
59.01399	1.3
65.00341	0.8
69.55326	1.2
78.95905	0.4
80.96509	1.7
84.91664	0.3
91.01913	0.4
107.05047	0.5
108.02176	0.3
118.30782	0.3
119.01398	2.1
120.02258	0.4
121.02973	1.0
125.85564	0.3
134.03775	0.4
135.04495	0.6
147.00883	12.6
148.01720	0.6
149.02417	0.9
151.03986	2.4
157.06856	0.5
163.04065	0.4
164.01161	1.9
165.01961	0.4
175.00307	0.6
179.03493	39.4
180.03862	1.1
193.05069	0.6
207.02979	100.0
208.03369	3.0
221.04591	1.3
222.05325	78.9
223.05655	2.3
237.07657	37.5
237.15036	1.2
238.07924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1449
Annotation	Salbutamol
Peak:m/z	Relative Intensity
59.01383	3.3
66.03490	1.9
69.03454	4.3
70.02984	2.1
71.01376	3.6
72.02173	13.0
82.02967	1.8
82.06617	3.9
83.03746	3.7
84.02165	5.5
84.04552	3.6
84.08165	2.2
86.06118	4.9
92.05070	1.9
94.02963	2.0
94.06622	2.5
95.05023	2.0
96.04552	90.8
97.05396	1.8
97.06589	29.5
98.02428	1.9
107.05017	2.7
109.06567	2.4
110.06123	6.6
111.08173	5.8
112.07682	72.6
112.08467	4.0
123.08170	6.1
125.06079	100.0
126.06478	1.7
139.87462	1.7
141.09224	26.8
142.15471	1.8
150.05583	3.4
150.09302	3.0
164.10828	3.3
168.06628	8.3
169.07370	2.4
179.05594	3.0
202.12477	3.5
220.13402	6.2
238.14458	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	239.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48715	0.6
59.01377	100.0
60.66124	0.7
61.98831	1.2
69.84436	1.0
69.84783	1.6
71.01390	2.2
73.02966	1.1
78.95904	24.3
83.06159	0.8
84.00274	0.7
85.02946	1.3
87.00892	2.9
89.02411	1.0
101.02430	0.8
101.68452	0.7
131.08250	0.9
134.97055	0.9
136.94005	2.6
136.95023	2.9
142.30438	0.7
149.00139	2.5
151.05321	0.8
154.06235	3.1
161.04581	3.6
173.01161	1.3
178.96152	20.3
179.05597	20.8
179.96138	1.4
195.13962	1.2
196.05737	0.9
196.97122	2.4
197.05862	3.3
221.02173	0.7
222.05653	0.9
223.02763	3.6
239.03481	1.3
239.07005	14.1
239.09644	0.9
239.10518	1.2
240.06764	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	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
55.44521	0.9
59.01378	6.6
68.05820	0.7
70.19940	2.2
70.20277	0.9
82.40922	0.8
87.00876	7.9
91.01886	0.9
93.03434	2.3
106.04223	2.9
107.05034	27.9
108.02175	1.7
121.02915	3.4
131.04964	1.6
133.06598	13.0
135.04492	3.5
141.19908	0.9
147.04445	1.3
149.06090	37.1
177.05571	38.7
178.05884	1.9
179.03499	68.0
179.05502	5.0
180.03796	1.8
185.31216	0.8
193.06613	1.3
195.06628	6.5
209.06047	1.4
211.07538	2.7
221.04407	3.1
221.06239	1.6
224.04572	1.9
239.05487	100.0
240.05833	2.7
245.66411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43412	0.7
59.01127	0.9
59.01374	12.4
64.83007	0.7
71.33231	1.0
72.99284	1.2
74.29810	0.7
87.00874	10.1
91.05521	1.3
91.21678	0.7
93.03429	2.3
106.04212	1.9
107.05026	27.6
108.02164	1.3
109.02927	0.9
121.02985	3.8
133.05681	1.0
133.06595	13.7
135.04518	4.0
143.08847	0.8
147.23573	0.8
149.06084	40.2
150.06419	0.9
151.03992	1.1
153.35492	0.7
156.86639	0.8
161.04552	1.6
177.05565	44.0
178.05911	1.1
179.03490	70.7
179.05507	9.6
180.03821	2.0
193.05006	0.9
195.06639	6.8
211.07582	3.1
221.04428	2.7
223.02875	1.4
238.06088	0.9
239.05519	100.0
240.05885	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	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37077	0.1
56.46653	0.1
59.01376	1.1
59.96729	0.7
63.44511	0.1
69.30720	0.1
70.46630	0.2
74.99069	10.9
75.99036	0.2
87.00900	0.2
91.02207	10.0
93.00131	3.6
98.21861	0.2
132.09064	0.1
149.00948	4.8
150.00818	0.2
150.98854	0.2
161.04532	0.2
162.94986	0.1
179.05588	0.7
206.99687	3.0
214.92860	0.1
221.04799	0.2
223.02824	100.0
224.02866	5.2
239.05862	1.2
239.12883	0.2
241.03865	1.4
242.22845	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08161	0.6
54.31555	0.6
59.01256	2.0
59.01582	1.3
61.98738	1.1
64.33681	0.6
69.64273	1.6
69.64627	1.2
74.98944	8.7
74.99403	1.4
75.00806	0.7
91.02073	9.5
91.02685	1.2
92.99999	4.0
95.01263	0.7
95.70226	0.6
96.30317	0.6
96.92120	0.6
96.95880	1.9
97.08732	0.6
116.82835	0.5
116.92769	1.4
121.02873	0.8
129.37651	0.5
132.48495	0.6
139.03905	1.5
149.00937	4.4
154.06279	2.0
160.84105	1.2
169.03020	0.6
179.05551	2.1
194.90607	1.2
195.13870	6.5
204.47624	0.6
206.99704	2.1
207.04106	5.9
223.02827	100.0
224.02815	4.5
229.60654	0.6
237.19218	0.6
238.87080	0.6
239.06740	27.1
239.11998	1.5
239.20305	0.6
241.03979	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99618	2.5
59.01379	100.0
69.67704	9.3
71.01382	14.6
78.95937	3.2
85.02969	11.1
87.00885	17.2
89.02444	14.4
94.75026	2.2
99.00903	3.5
101.02451	5.4
113.02462	3.4
117.01974	3.1
125.02428	3.4
131.03528	5.0
138.77736	2.8
148.17793	3.1
152.90092	2.5
158.11317	2.2
161.04568	16.4
165.99509	2.7
179.05609	88.7
221.06696	6.0
239.07730	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	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.29472	11.3
71.01391	10.4
75.00855	2.3
78.95893	6.9
85.02949	6.3
87.00876	18.2
87.95898	2.4
89.02447	12.4
99.00851	5.3
101.02436	2.1
113.02446	4.3
117.01974	3.2
137.11404	2.3
141.01923	2.4
154.97530	8.2
161.04543	14.0
178.94398	3.1
178.95964	5.3
179.05597	67.4
238.96266	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.97157	0.3
59.01381	2.2
70.74458	0.3
70.74793	0.5
71.01367	0.3
83.05012	0.5
106.04249	0.5
130.38261	0.3
130.39133	0.3
177.12865	2.6
179.05580	0.5
195.13895	100.0
196.14236	4.0
203.10756	0.4
219.45000	0.3
221.11848	0.6
232.38223	0.3
239.12889	14.4
240.13255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.72611	0.7
59.01362	1.4
69.68831	2.3
98.22649	1.4
101.06088	7.6
109.06612	5.0
111.08131	4.8
113.90483	0.7
125.09736	1.3
134.60263	0.9
138.06845	2.6
139.04022	10.8
154.06352	28.8
161.64305	0.9
167.14377	8.8
179.05629	0.8
179.10725	4.2
180.11485	0.9
182.05804	2.4
195.13885	100.0
196.14185	3.9
196.15764	0.8
223.02884	1.7
239.12875	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03446	74.5
59.01375	9.5
61.98816	0.7
69.03455	3.7
71.05008	3.2
81.07123	0.7
87.00874	1.7
95.05028	1.0
97.06554	1.4
98.22040	3.6
107.05032	1.8
109.06583	14.3
109.10224	0.9
120.05805	1.7
121.06546	1.0
123.08160	25.2
125.09689	5.5
135.08160	4.3
151.11279	17.7
161.04572	1.1
177.12860	2.0
179.05597	7.4
179.10789	4.5
195.13890	65.4
196.14220	1.9
223.02794	2.6
239.12872	100.0
240.13260	3.0
256.19263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Drummondol
Peak:m/z	Relative Intensity
57.03449	0.8
58.59124	0.2
59.01371	1.6
69.39700	0.6
69.40088	0.7
71.01379	1.2
72.99309	1.1
87.00880	0.6
93.23219	0.3
95.08665	0.3
96.96012	0.6
121.06606	5.4
135.01472	0.3
137.09726	73.2
138.10092	1.6
149.09694	1.8
151.11279	0.9
158.33327	0.3
167.14412	1.0
175.11391	0.4
179.05621	1.1
193.12442	0.4
194.06897	0.2
195.13802	0.3
219.10191	0.4
221.11897	0.6
223.02859	0.5
239.12895	100.0
240.13191	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	241.0119
Annotation	D-myo-Inositol 1,2-cyclic phosphate
Peak:m/z	Relative Intensity
50.88480	0.5
59.01377	2.4
70.78428	0.9
72.99298	1.7
75.00880	0.7
77.70644	0.5
78.95903	100.0
87.00874	3.1
96.95987	1.6
96.96961	30.8
100.04079	0.6
105.01918	3.8
107.86664	0.6
110.07235	1.2
112.46629	0.6
113.03587	0.6
128.75667	0.6
141.30229	0.5
152.99568	0.5
154.06210	0.7
165.04036	1.6
168.02783	3.2
168.04311	1.6
180.95871	0.9
211.08151	0.7
223.00143	1.9
231.77814	0.5
239.37294	0.5
240.97716	3.6
241.01176	93.4
241.09401	1.5
242.01468	1.2
242.08092	1.9
246.66792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.083
Annotation	1-(2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Peak:m/z	Relative Intensity
59.01376	44.0
60.99318	1.9
61.98533	2.7
61.98829	19.4
75.00854	2.5
78.95907	17.6
82.02977	3.5
85.62675	2.0
96.95997	7.0
96.96979	4.3
99.00829	2.2
105.01918	8.0
109.90573	1.9
112.98778	2.4
117.54012	2.1
125.03617	11.7
130.08676	2.2
142.99904	3.0
145.01300	2.1
151.05098	17.2
153.01265	3.6
173.00958	2.9
176.99298	2.1
181.06102	2.1
197.12920	11.6
226.06313	5.1
241.01212	11.4
241.08325	100.0
241.11855	10.7
241.18076	3.3
241.21652	11.7
242.08418	3.6
257.27252	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	241.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
58.00587	1.4
58.02988	1.5
59.01373	8.4
60.41590	1.2
61.40959	1.1
69.03430	2.3
70.02961	3.3
71.01339	1.0
71.14115	1.6
72.24384	1.2
73.02932	4.8
77.03655	1.3
79.68633	1.2
81.03390	1.3
82.02984	22.7
82.06623	1.5
84.04542	1.8
85.10345	1.2
97.06606	2.2
111.03214	1.4
112.04044	4.8
114.09225	1.3
127.05103	3.6
130.08745	7.3
137.09720	6.6
141.10330	15.5
149.09700	1.3
151.07712	1.5
151.11266	2.8
153.09201	1.3
153.12828	4.2
154.12390	1.5
163.11253	3.1
165.12935	1.3
168.09091	1.7
169.09738	2.0
175.11206	2.8
177.12807	3.3
180.97522	1.6
181.12292	2.9
193.12268	1.7
195.13994	1.6
197.12943	67.3
198.13231	1.4
205.12311	1.8
211.13324	11.3
223.13274	1.4
238.97157	1.2
241.11909	100.0
241.14423	47.8
241.21655	3.6
241.79207	1.3
242.12166	2.7
242.14549	1.6
253.93721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46989	0.9
58.59828	0.9
59.01377	1.4
61.98856	1.1
63.64758	0.9
64.00822	0.9
70.56097	0.9
70.90183	1.1
81.03455	16.0
83.05026	100.0
103.42576	1.2
134.89499	3.5
156.44978	0.9
160.31316	0.8
160.84190	3.5
162.83867	3.0
165.75864	1.1
180.97620	1.8
195.15024	14.5
196.13425	5.1
197.11848	1.4
213.16072	27.6
225.02548	1.2
226.06332	1.9
241.15714	6.4
241.17853	1.6
241.21722	2.1
241.75844	1.9
241.79341	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	242.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26554	0.7
59.01385	1.0
61.98833	4.0
62.64963	0.8
74.99090	1.4
76.98766	1.0
82.06634	3.7
82.29355	0.8
85.00453	0.9
85.06569	1.1
91.02192	1.1
92.02152	0.8
93.01939	1.3
100.07668	1.2
105.75771	1.0
112.35681	1.0
134.89511	0.9
156.42363	0.9
160.84247	1.1
170.15495	11.4
181.16096	1.1
184.74780	0.9
198.14992	100.0
199.15346	2.4
225.02533	2.0
226.02614	25.9
227.02319	2.4
242.13965	4.8
242.17697	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	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
51.61368	0.7
55.01896	0.7
59.01376	2.3
66.03485	13.2
66.64979	0.6
68.01409	2.6
70.66124	1.1
71.01383	2.8
80.05043	0.7
80.27431	0.6
81.48055	0.6
82.02983	29.1
83.01385	1.6
84.04542	0.7
94.02979	3.1
96.04546	1.8
99.00891	1.9
102.88495	0.6
108.04560	2.8
110.02477	100.0
111.02016	11.4
111.02775	1.9
112.98798	2.4
117.01921	0.8
120.04521	0.9
122.02480	8.9
124.04034	2.6
129.01970	1.3
132.03082	0.7
138.05511	1.0
140.03531	11.7
142.99831	1.8
145.01405	1.2
152.03532	17.6
153.03056	10.9
153.04205	1.1
173.00920	2.6
176.45532	0.7
182.04543	1.5
200.05632	43.8
205.03534	0.8
243.06201	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01380	55.1
69.03432	0.7
69.18419	2.7
69.18826	0.9
72.99303	8.9
81.86129	0.6
83.05056	0.8
85.06572	0.8
91.09579	0.6
107.08657	2.6
109.10225	5.0
121.10221	1.5
125.09734	1.7
139.11285	3.2
155.10796	3.6
183.10257	64.9
184.10620	1.6
201.11320	100.0
202.11647	3.4
225.11299	1.3
243.06557	2.8
243.12407	6.1
243.17142	0.9
253.78777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01379	36.9
62.13192	0.4
69.16189	1.0
69.16595	2.1
71.05006	1.5
73.02949	2.6
85.00410	0.7
87.74178	0.5
95.05011	0.5
97.02948	1.4
99.00878	3.9
100.01661	0.7
109.06577	0.6
123.08192	0.6
125.09713	1.7
125.49892	0.5
127.11279	0.9
137.09700	0.7
139.11290	21.5
140.11671	0.5
153.12813	0.6
155.14409	0.6
162.68994	0.5
163.11237	3.6
165.09273	1.2
181.12341	19.3
183.10254	27.5
184.10596	0.6
197.11801	1.1
199.13402	24.9
200.13666	0.7
207.10252	11.7
215.12915	0.7
225.11319	33.2
226.11720	1.2
243.12355	100.0
244.12648	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	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01373	15.9
70.17832	5.4
70.18165	12.4
79.51572	5.2
85.00414	16.1
99.00888	26.3
104.79980	5.3
125.09722	7.5
134.89450	5.7
150.92583	4.8
181.12340	20.6
182.95523	8.2
199.13400	19.8
207.10310	44.5
225.11302	97.2
243.06636	12.9
243.12384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85078	1.0
59.01370	1.9
63.20401	0.9
70.52116	1.9
71.05019	1.8
71.15253	0.9
85.00458	1.0
97.02951	2.6
97.50735	0.9
99.00876	12.8
109.06573	1.1
125.09700	3.8
155.14455	1.9
163.11253	3.0
181.12337	13.0
197.11765	1.4
199.13385	17.5
207.10257	26.2
225.11317	54.0
226.11691	1.6
243.12357	100.0
244.12617	2.5
245.69284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89085	0.4
59.01373	2.0
61.98820	1.1
62.77254	0.4
66.03481	0.7
66.63280	0.3
67.07561	0.3
69.47108	1.3
69.61286	0.3
82.06626	5.3
84.08199	0.8
98.21868	0.7
101.02423	0.4
112.07681	1.2
114.09250	0.8
129.10368	2.5
130.08737	25.9
131.09097	0.5
141.10301	0.5
155.10800	0.4
182.15511	4.1
199.18150	24.9
243.17119	100.0
244.17419	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79226	0.5
69.50846	1.8
69.87371	0.4
82.06622	1.6
114.09215	0.7
121.05556	0.5
129.10345	2.9
130.08736	37.2
178.53922	0.5
197.16570	0.6
199.18143	22.6
225.16129	0.5
243.17116	100.0
244.17395	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	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78049	0.9
59.01370	2.7
70.64657	1.4
75.32648	0.8
82.06635	5.7
85.00430	1.3
112.07644	1.5
114.09256	1.4
114.66189	0.8
125.43244	0.9
129.10323	4.4
130.08746	40.1
131.09035	0.9
134.89557	0.9
141.10342	1.2
154.95973	1.5
155.41084	0.9
158.93904	1.4
182.15477	3.9
182.95491	1.8
196.97092	1.1
199.18161	25.2
211.86345	1.0
243.17126	100.0
243.79028	1.5
244.17511	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	244.1302
Annotation	GLY-GLY-ILE
Peak:m/z	Relative Intensity
50.59785	0.7
54.86878	0.7
58.02978	8.4
59.01380	4.6
65.71345	0.7
69.82177	2.8
70.02969	2.7
71.02496	0.8
73.04066	4.9
73.60810	0.8
74.02477	16.1
74.02880	0.6
75.64116	0.8
82.02967	1.2
82.06611	2.3
83.02523	1.3
84.08159	1.0
85.32639	0.8
87.05638	1.2
98.02474	23.7
98.49119	0.8
109.01675	1.9
112.07713	1.5
113.03573	30.5
114.09256	1.2
115.10863	0.7
116.07220	1.2
122.06123	0.9
126.09282	1.2
130.08739	100.0
131.09093	1.0
139.08734	1.8
140.07193	4.0
141.10342	14.6
143.11902	9.0
149.51868	0.7
156.10278	1.6
165.10342	2.4
166.08702	1.8
169.09819	4.8
182.12965	2.5
183.11420	9.1
200.14027	5.9
200.17636	1.8
210.07718	7.0
226.11986	1.2
227.10381	21.9
244.08650	1.7
244.13019	61.0
244.16844	2.7
245.13339	1.9
250.54802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.0
58.02977	2.0
59.01376	25.8
68.99815	1.5
70.02960	1.4
70.84818	2.4
71.01382	6.7
72.02188	1.5
73.02947	2.4
73.04073	2.4
74.02471	19.2
78.95912	5.8
81.07111	1.6
85.02950	3.8
87.00875	13.7
87.05652	1.8
88.04043	1.7
89.02441	4.2
95.05003	2.4
96.00872	1.2
96.96961	4.6
97.04079	1.2
97.06593	7.4
98.02451	1.6
99.08165	5.4
101.02435	2.2
104.03542	3.5
105.01923	2.7
107.05000	1.7
109.01673	6.4
109.06630	2.4
111.08190	2.2
112.01682	1.6
112.07678	4.7
113.02392	1.3
113.03568	17.6
114.05605	4.7
114.09214	2.0
115.00334	1.3
116.07159	1.3
117.01874	1.5
125.06065	1.5
126.04366	3.9
127.07648	61.6
129.01967	1.6
129.09224	3.5
129.10327	26.2
130.08734	100.0
131.09081	5.1
137.06062	5.8
139.07690	6.1
140.07156	13.7
140.10818	3.7
141.09235	2.4
141.10330	21.3
143.11856	2.5
144.12253	3.9
147.03020	2.0
155.07141	23.7
155.08347	2.3
156.10300	4.1
157.73270	1.0
158.08188	2.1
159.11305	1.1
164.07088	1.7
166.08731	4.1
167.07117	1.5
171.11423	2.3
174.99272	3.3
183.11392	19.0
184.09842	1.5
185.08165	2.4
199.09729	2.1
201.14354	1.4
202.98598	1.2
210.07671	12.9
215.10345	20.1
227.10370	39.1
228.10751	1.5
245.04419	2.3
245.11569	17.0
245.13492	2.8
245.16969	2.2
255.35823	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	245.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75280	0.9
59.01378	21.2
61.87856	0.8
61.98826	1.0
65.78577	0.9
66.03492	0.9
66.39050	1.0
69.80773	1.1
71.01384	19.6
71.10755	1.2
72.99281	1.9
73.02926	1.4
74.95425	1.0
78.95892	5.1
82.02963	1.1
82.06614	2.0
87.00864	4.7
88.04037	28.3
92.88144	1.1
94.61120	1.1
96.96951	3.3
96.99291	1.3
101.02419	1.5
103.01534	1.4
103.92035	3.8
110.02466	1.8
112.07674	4.2
115.00378	29.6
116.07169	7.6
128.03537	2.0
129.10342	100.0
130.08739	36.7
130.10706	1.9
131.09010	1.2
140.10818	1.5
144.98172	1.0
145.01401	2.1
145.09715	1.3
154.97636	1.0
157.13483	5.6
172.97653	2.2
172.99413	3.0
174.99228	5.6
183.11305	2.3
184.97629	1.2
185.03006	5.4
186.99271	1.6
188.56961	1.1
201.12451	30.3
201.14252	2.3
209.09312	1.6
227.10359	7.5
245.04393	3.8
245.11411	74.3
246.06561	2.0
246.11728	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	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
54.16448	5.0
59.01369	14.0
66.23965	5.9
70.02059	5.9
70.37299	5.8
76.84636	6.1
87.00873	6.8
89.19313	5.3
160.84145	6.4
165.12817	14.4
171.10304	9.3
174.99063	7.6
183.13893	18.3
201.14946	11.5
209.11795	16.6
227.12866	47.2
230.71773	6.4
245.13948	100.0
246.14235	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12979	0.8
59.01378	36.2
68.09592	0.9
71.44485	1.0
81.76316	0.9
83.01405	1.2
93.19666	1.2
136.05330	0.9
141.12819	1.1
145.07272	1.0
165.12823	6.1
166.05084	13.6
183.13896	31.6
183.15538	1.6
185.11826	100.0
186.12131	2.4
190.80125	0.8
215.03551	1.3
227.12863	10.0
245.13933	80.8
246.00728	1.2
246.14279	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	246.0172
Annotation	Pyridoxal-5'-phosphate hydrate 
Peak:m/z	Relative Intensity
55.43771	0.3
59.01374	3.2
62.96404	1.0
68.47170	0.4
69.49303	1.1
71.01398	0.5
72.99311	0.7
74.02469	0.9
78.95903	78.5
85.97343	0.3
88.04053	1.1
93.51034	0.3
96.96960	100.0
98.22693	0.4
101.01029	0.4
103.92026	0.5
114.05525	0.5
117.00395	2.0
126.98882	0.8
129.10329	0.9
130.08702	2.0
131.02016	0.4
132.02167	0.5
132.98233	0.4
141.00435	1.1
143.02071	0.5
145.09814	1.5
146.00081	0.4
146.93831	0.8
148.04015	0.7
156.99910	0.5
158.00066	1.7
158.13013	0.5
158.99770	0.7
168.99948	1.4
186.02484	0.4
186.95622	0.9
187.00984	7.7
201.95682	0.4
202.11894	2.0
218.02238	0.8
228.00725	2.2
245.11386	0.4
245.16980	0.9
246.01709	8.0
246.06456	0.7
246.14670	0.7
246.17099	1.3
247.11101	0.4
264.06546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85251	0.4
55.75137	0.4
59.01376	3.6
70.83848	0.5
72.00912	12.4
74.02479	0.7
78.95943	0.4
84.38644	0.4
88.04030	0.4
91.05537	1.0
96.96982	0.7
99.46494	0.4
99.92586	2.4
103.05544	1.3
115.92057	0.6
116.66093	0.3
131.08223	0.4
147.04526	38.5
148.04849	1.1
150.93942	0.4
158.93820	0.4
164.07166	100.0
165.07506	3.1
169.06190	1.1
186.95671	0.5
202.96242	0.4
203.05066	0.4
203.97205	0.4
245.98373	0.7
246.07553	3.8
247.42586	0.4
253.77539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	19.4
61.73206	4.3
65.08669	4.2
69.62982	17.4
78.09477	4.9
89.02425	5.4
90.03687	4.1
98.22549	9.8
115.92133	5.5
125.13930	4.0
127.11295	5.2
132.98195	6.6
152.53859	4.1
164.83504	6.7
174.99263	5.9
186.95596	20.0
203.97261	13.9
228.16081	22.2
246.14763	6.8
246.17093	100.0
247.17125	5.7
256.96805	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	246.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	1.0
70.42987	1.2
78.95878	1.0
80.96345	0.7
91.95645	0.6
130.08807	0.8
142.44330	0.6
158.06110	2.3
164.92618	0.6
184.07652	2.9
184.13417	1.3
186.05559	0.6
186.14987	9.4
186.95616	1.2
199.71098	0.6
203.97321	0.8
228.16089	1.3
246.17088	75.6
247.17410	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	246.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.6
69.56917	2.4
73.44089	0.7
76.08102	0.8
121.02973	1.2
125.09736	1.6
127.11266	1.4
143.10764	1.2
155.10780	3.8
157.12343	1.9
165.01923	1.7
171.10266	3.4
177.58627	0.9
186.95612	1.9
199.09904	0.9
201.11325	12.6
209.11932	1.4
210.15018	1.8
227.12883	9.8
228.13719	0.8
228.15993	5.2
246.17104	100.0
247.17369	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	247.0975
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
59.01373	1.7
69.99937	2.2
85.02911	0.7
89.02460	1.0
98.22582	0.9
106.04246	2.1
109.02979	1.1
111.00870	1.9
121.02950	7.3
128.94427	0.8
132.98161	0.9
133.02963	20.2
134.03749	66.7
135.04568	5.1
137.02446	34.6
137.03307	0.6
139.04021	11.9
149.02446	0.9
150.03233	3.4
161.02402	1.8
162.83875	1.1
167.94690	0.9
169.01434	0.7
174.06879	0.8
178.02705	27.0
179.03458	7.4
186.95638	1.7
203.10780	1.2
204.37013	0.8
247.09744	100.0
248.10066	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	247.0975
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.35167	1.2
58.21302	1.3
59.01369	4.1
61.98816	2.0
69.88052	4.6
84.96034	1.3
86.06282	1.1
89.02428	2.0
90.97098	1.2
106.04269	2.1
106.27893	1.4
107.14539	1.3
111.00855	1.5
121.02952	5.7
133.02948	20.9
134.03745	79.2
135.04559	8.0
137.02434	30.9
139.04012	10.2
150.03181	3.0
159.12706	1.2
161.02423	4.6
165.01927	2.3
169.04558	1.2
174.06906	1.6
178.02704	27.1
179.03571	6.0
179.04880	1.3
186.95602	3.4
203.10834	10.3
243.62828	1.2
246.98801	1.4
247.09750	100.0
248.10138	4.2
265.04782	1.4
268.36121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1121
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
56.49591	0.6
59.01382	4.5
70.01621	0.9
70.01932	1.0
71.01368	0.8
72.00893	2.2
72.99292	1.1
73.46584	0.6
74.02473	0.8
78.95913	1.1
87.71159	0.6
89.02452	1.2
90.97118	0.9
96.96923	1.4
97.78181	0.6
112.71912	0.7
115.08749	1.9
116.07191	2.6
117.00410	0.9
117.79935	0.6
124.99892	0.6
125.07165	1.1
127.08768	1.7
132.98158	1.5
139.08798	0.8
141.10347	18.0
147.04509	2.8
148.04372	8.4
155.11902	16.4
164.07164	6.0
164.40865	0.7
165.07500	12.6
168.99898	0.7
169.06122	0.8
174.99387	1.3
183.02605	0.7
186.95618	2.3
187.00931	3.3
199.10872	38.6
200.11194	1.1
203.12209	2.5
246.35454	0.7
247.11201	100.0
248.11465	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01354	0.2
60.13811	0.2
67.50770	0.2
70.04406	0.5
74.32952	0.2
80.36795	0.2
95.42915	0.1
98.22571	0.2
106.03153	0.2
147.73219	0.2
165.30626	0.2
198.94049	0.2
204.15244	0.2
205.16046	0.4
220.17033	0.7
231.13930	0.5
247.17014	100.0
248.17372	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	249.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.2
59.01380	2.1
59.22892	0.2
70.03249	0.6
72.99311	3.4
74.62189	0.2
75.00866	4.5
98.22627	0.3
105.01933	100.0
106.02277	0.8
107.24573	0.3
145.55452	0.2
249.00192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.2
67.29406	1.2
69.75976	2.0
69.76329	2.2
70.36845	0.9
127.07656	4.9
133.10309	0.9
161.13358	5.7
163.13934	0.9
167.06889	1.5
169.08453	2.9
173.56190	1.0
181.12346	15.9
189.09273	1.0
194.03183	1.2
201.08929	5.9
203.10518	19.7
205.12088	6.6
219.10010	2.0
221.11583	9.0
223.13144	100.0
224.13499	4.2
233.07877	4.2
235.09546	5.6
237.11076	9.4
241.14282	2.4
248.97481	1.0
249.11070	81.9
249.15123	2.8
250.11438	3.1
250.14487	14.5
259.73151	1.0
264.96719	1.0
265.10507	4.6
267.12119	40.2
268.12454	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	249.1131
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
59.01369	4.4
61.98830	4.6
70.17026	3.3
70.92992	1.6
75.31860	1.4
85.00433	1.4
97.06599	2.4
161.02417	1.6
164.08389	1.8
169.24730	1.3
175.07660	3.7
189.09216	5.6
190.09962	5.7
190.85121	1.7
217.08701	4.8
221.15446	5.8
225.62653	1.5
248.97150	2.4
249.11301	100.0
249.14937	8.6
250.11757	3.9
250.14417	23.1
250.65761	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23430	0.6
58.56108	0.5
59.01385	3.4
66.79204	0.5
70.22724	0.5
71.01380	7.5
71.45907	0.7
72.00910	0.5
80.21246	0.5
88.04041	81.1
89.04387	1.0
91.05534	5.8
93.03445	0.5
114.01236	0.7
114.01967	4.3
115.00378	15.4
130.94388	2.1
132.03027	100.0
133.03346	1.3
134.06116	0.6
135.04526	6.5
147.94615	0.9
148.29779	0.6
165.95746	1.5
189.95714	1.4
203.03578	0.7
206.08176	2.5
207.96625	2.4
232.06056	0.8
250.07213	20.7
250.14462	21.5
251.07156	1.8
251.14809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1038
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
59.01376	4.4
71.02509	2.9
73.04066	100.0
80.20728	2.3
81.13584	2.1
86.09188	2.4
91.05563	3.2
96.48828	1.9
97.80910	2.1
103.05114	3.8
108.30404	2.2
116.93972	2.0
129.02025	2.1
147.04501	17.3
159.20432	2.0
164.07161	22.9
196.93176	3.6
203.19258	1.9
216.89886	2.5
221.09299	49.4
251.10358	52.8
251.14532	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	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	12.1
55.68244	0.7
57.03442	4.6
58.00602	1.0
58.48800	0.7
59.01379	96.2
61.98835	1.1
62.00835	0.8
69.94749	1.8
71.01380	100.0
71.58778	0.7
72.01730	1.4
72.99315	2.6
73.00481	1.1
73.02945	41.1
73.04068	2.5
74.02461	6.1
75.00873	2.9
78.95901	1.8
83.01388	17.9
85.02949	50.7
85.04046	6.4
87.00871	5.1
87.04514	2.0
87.05643	1.1
88.04044	1.3
89.02442	22.5
91.05533	3.3
95.01392	6.9
97.02980	1.8
97.04067	3.5
99.00883	12.7
101.02441	90.4
102.02795	1.6
111.00903	0.8
111.02020	2.4
113.02451	41.6
114.05627	1.1
119.03537	6.2
125.02453	3.4
129.01964	2.5
133.02968	1.7
135.04520	8.9
143.03499	3.7
148.04001	6.6
149.06000	1.1
159.02950	10.5
161.02403	2.7
161.04556	51.3
164.07173	2.2
172.07680	2.0
179.03467	7.2
179.05844	0.8
182.57898	0.8
189.05504	1.2
189.10414	1.4
221.09296	18.8
251.05679	1.0
251.11069	21.3
251.14877	2.4
268.43604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0733
Annotation	Neopterin
Peak:m/z	Relative Intensity
54.09998	0.5
59.01376	2.1
61.98816	0.6
79.95735	100.0
80.96514	0.7
122.21559	0.4
126.12862	0.7
188.11131	8.6
252.07326	43.0
253.07455	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18339	0.6
59.01378	100.0
60.01705	0.8
61.98848	0.9
70.41906	1.5
71.01379	9.3
72.99307	12.9
72.99695	0.8
73.02947	7.0
75.00873	1.3
78.95898	4.0
81.04603	0.7
82.07533	0.6
83.01403	1.3
85.02964	1.8
87.00890	1.0
89.02428	6.1
95.01440	0.6
96.96954	0.8
98.06369	0.6
99.00882	3.8
101.02433	7.4
103.00391	0.7
105.01949	3.9
107.02368	0.6
110.07249	0.7
112.98594	1.3
113.02454	2.5
115.00413	0.6
115.08806	0.7
116.07155	1.1
117.01943	14.8
119.03455	1.0
133.01387	1.1
136.96465	2.3
136.98573	7.4
143.03529	1.3
152.95984	0.8
154.97528	91.1
154.99623	7.6
155.97876	1.9
156.99928	0.8
161.04559	2.7
170.96942	1.1
171.79587	0.6
179.05640	1.6
192.93892	1.3
193.07176	8.8
209.49841	0.7
224.53116	0.5
252.95235	2.4
253.09258	9.1
253.13208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91834	2.1
59.01379	100.0
59.78019	1.8
61.98818	7.5
70.70905	2.6
71.01385	3.8
71.99682	2.0
72.99298	4.2
78.95905	18.4
96.96004	2.9
111.30145	2.0
115.00351	8.2
116.92870	3.4
117.01942	5.7
120.95442	2.9
125.02406	2.3
133.01421	19.7
154.99606	2.3
161.04530	2.7
178.95955	4.1
193.07222	3.3
209.15526	2.4
253.09256	5.7
253.21567	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	253.1081
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03466	1.8
59.01380	26.9
69.03452	14.6
69.23042	2.6
69.23335	8.3
71.01384	7.7
81.03465	1.9
85.02972	1.9
87.00905	3.0
93.03466	3.9
95.05047	4.8
97.02943	12.8
97.34328	1.6
98.21863	2.7
101.02432	3.5
105.07099	6.6
107.05031	2.9
108.02173	3.4
108.05832	8.7
109.02953	5.1
109.06625	8.7
111.04526	4.2
111.08138	2.7
113.06089	11.5
121.06583	4.6
122.03764	15.4
123.04498	1.7
123.08187	11.9
124.05330	2.6
125.06082	19.8
133.06599	2.1
135.76479	1.5
136.05309	7.2
137.06087	8.0
138.06874	52.6
138.71156	1.4
139.07649	33.3
146.03754	4.0
147.04488	7.1
147.08130	6.1
149.06085	2.8
149.09718	15.7
151.07648	73.1
152.04826	8.1
152.08435	12.2
153.09215	100.0
154.09525	2.9
157.06587	4.1
161.09805	1.7
167.07143	5.4
173.09747	9.9
175.07663	7.6
176.08406	4.2
188.68936	1.6
191.10780	73.0
192.11180	1.7
209.11887	7.2
210.01636	1.7
235.07687	1.8
244.83621	1.6
251.07117	1.5
253.08646	14.7
253.10858	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
54.37244	17.1
56.41500	15.4
56.64384	14.2
56.86813	13.7
59.01373	41.2
65.00314	15.9
67.61884	16.0
70.70929	25.9
88.68134	15.7
122.84047	14.8
134.89467	17.0
165.01863	15.2
217.84995	52.7
253.21666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56279	0.5
59.01377	4.8
71.01368	0.9
72.99300	5.1
75.00866	9.5
78.95928	1.4
86.07785	0.4
96.24048	0.4
96.96924	0.6
99.00871	0.8
101.00980	0.6
105.01931	100.0
106.02306	1.1
117.00432	0.5
152.96008	1.7
170.96976	3.1
174.98424	0.6
239.28516	0.5
249.16177	0.5
253.86813	0.5
255.23259	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04461	0.3
51.60830	0.3
53.55583	0.3
57.03448	2.8
57.61897	0.3
69.03471	0.4
69.30119	1.3
72.99309	0.8
73.02946	2.5
84.22549	0.3
85.02950	1.3
93.03458	0.6
95.05072	0.5
97.02940	0.8
98.22572	0.8
107.05025	1.1
108.02165	1.5
109.02946	3.7
109.06581	0.6
109.94071	0.3
111.04537	1.4
118.96474	0.3
122.03748	1.2
123.04506	0.8
123.08160	6.1
123.09015	0.6
125.09727	3.2
133.06598	1.4
135.08165	4.3
137.09697	1.3
149.09735	0.4
151.07716	0.6
151.11263	0.8
153.09216	37.4
154.09576	1.2
161.09698	0.7
163.11317	3.2
165.09256	2.0
165.12823	0.6
168.95981	0.3
173.09721	1.4
175.11299	0.9
176.08420	1.7
177.09149	0.3
179.10760	2.2
181.12390	1.3
189.09195	0.5
191.10774	18.8
191.42215	0.3
192.11115	0.7
193.12335	0.6
201.53696	0.4
207.10251	0.4
209.11816	1.5
211.13417	0.6
219.10298	0.8
226.06361	2.2
237.11156	0.6
255.10252	8.2
255.12404	100.0
255.23262	2.7
256.10410	0.6
256.12729	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04848	2.2
59.01369	8.4
61.01402	2.2
62.25806	2.4
63.21978	2.5
67.01884	4.4
67.89220	2.5
69.03434	6.2
69.52400	9.5
70.15319	2.2
73.02930	5.9
75.00858	5.6
75.59261	2.1
78.95892	5.1
83.01387	76.8
83.05016	9.6
87.76702	2.2
111.25375	2.4
115.50687	2.4
125.09694	7.0
127.07622	9.4
151.11211	2.8
152.91762	6.4
152.95654	2.4
165.12895	3.7
167.14392	3.9
171.10269	48.5
175.11296	6.2
183.13948	3.3
193.10637	4.6
193.12326	73.3
194.12622	3.2
194.92792	7.6
197.68193	2.3
211.13393	100.0
212.93858	2.6
219.84630	12.5
237.14932	2.8
255.09714	3.8
255.12352	82.5
255.15968	29.1
255.23268	89.0
256.12851	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03442	2.6
59.01377	5.5
64.30840	0.8
67.01888	2.1
68.97695	0.9
69.03455	3.9
71.05015	1.9
75.00882	1.3
80.02683	1.2
81.03455	1.2
82.45115	0.9
83.01387	50.5
83.05034	9.3
87.04482	1.2
88.28999	0.9
97.06585	1.0
103.02154	0.9
109.06605	0.9
111.08184	0.9
125.09727	3.9
127.11243	1.2
137.09766	1.3
151.11281	2.0
152.91742	1.8
163.11325	1.8
165.12845	2.6
167.14430	3.8
169.12355	1.8
171.10266	35.4
172.10530	0.9
175.11293	3.5
183.13943	3.9
193.12331	68.0
194.12675	2.5
194.92778	2.0
211.13390	100.0
212.13786	4.0
219.84587	2.7
237.11185	1.1
255.12386	41.8
255.15997	8.6
255.23291	27.6
256.12747	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54029	0.4
57.03450	2.6
66.50462	0.3
69.03458	0.8
69.38074	1.8
72.99314	0.9
73.02948	1.8
74.08153	0.4
83.05051	0.4
85.02962	2.0
85.03392	0.4
91.45563	0.4
95.05038	0.6
97.02943	0.7
107.05028	0.8
108.02177	2.0
109.02952	4.7
109.06641	0.7
111.04501	0.9
122.03740	1.2
122.50689	0.3
123.04503	0.4
123.08156	7.8
123.09002	0.7
125.09715	3.2
133.06598	1.5
135.04549	0.5
135.08145	4.3
136.08525	0.4
137.09715	1.3
145.06606	0.5
147.08226	0.5
149.09682	0.5
151.07570	0.7
151.11267	0.6
152.61543	0.3
153.09207	36.4
154.09502	1.1
161.09717	0.8
163.11284	3.4
165.09172	1.6
165.12869	0.5
166.13019	0.4
173.09743	1.3
175.11272	0.6
176.08478	1.6
177.09142	0.4
179.10738	2.4
181.12299	1.8
183.13901	0.4
189.09206	0.8
191.10771	18.6
192.11136	0.9
193.12411	0.4
207.10324	0.7
209.11874	1.3
211.13326	0.7
219.10300	0.9
226.06386	1.8
237.11421	0.5
251.92282	0.4
255.10268	7.5
255.12398	100.0
255.23212	3.4
256.12729	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	256.1917
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
51.55043	0.4
58.57021	0.5
59.01360	0.5
74.78532	0.5
154.95914	0.5
182.15582	0.6
196.96956	1.0
238.18137	0.8
256.19165	100.0
256.23599	7.2
257.19519	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	257.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.7
69.42348	0.4
69.84296	0.5
69.84647	1.0
69.94624	0.3
71.01378	1.2
72.99313	0.4
73.01450	0.7
73.02949	0.8
74.99377	3.3
83.01399	0.3
83.72924	0.3
87.03026	2.2
88.04046	0.8
88.98812	1.1
89.00947	8.9
98.99386	0.5
99.00835	1.0
100.98788	2.2
101.00941	2.4
101.04556	0.6
103.02520	3.9
115.00370	0.9
115.02532	2.9
117.00443	66.3
118.00536	2.0
119.00902	0.4
120.01243	0.7
124.98808	0.3
125.00983	0.4
127.05155	0.5
127.97536	2.6
129.00475	0.7
129.10359	0.4
130.08745	2.2
131.02007	100.0
131.99139	2.0
132.02112	3.0
137.76488	0.3
141.00453	1.2
142.99883	1.2
143.02048	0.9
145.03571	11.8
153.06711	0.5
156.99931	9.7
158.99681	0.5
159.01476	1.1
159.98561	0.7
167.04645	3.0
168.99944	1.2
171.01524	1.2
174.99292	1.0
175.02451	2.9
182.97839	2.3
187.04691	0.6
196.99391	1.8
197.03145	0.5
197.05719	0.5
198.97313	1.8
199.00993	0.4
210.97313	0.5
214.19293	1.4
215.00470	12.4
220.21259	0.4
229.02031	4.3
247.03104	0.4
256.23654	2.4
257.01569	9.9
257.07867	1.2
257.10626	0.6
257.19958	0.3
258.08432	0.4
258.14651	1.2
258.18262	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	257.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25155	1.0
62.02297	1.1
66.77744	1.0
69.44199	3.4
69.44630	1.8
74.02473	89.6
87.54140	1.1
92.05056	1.4
97.04064	3.6
97.31034	1.0
99.05683	1.3
109.04069	7.9
110.09765	21.7
111.05646	30.5
111.06425	1.9
116.01772	1.6
122.09780	6.5
122.65472	1.1
123.05623	1.1
136.07639	2.7
138.04370	1.6
150.09227	2.5
164.09544	5.8
167.11838	2.6
176.38753	1.0
179.11897	100.0
180.12204	3.5
196.96965	1.3
211.10873	29.7
223.10890	60.5
224.11186	1.7
237.42825	1.0
257.09760	13.9
257.13885	4.9
257.17020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2122
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
55.27367	0.4
59.01381	0.7
80.90346	0.4
116.92867	1.4
183.17599	0.7
203.97493	0.4
207.17500	0.9
209.19101	4.0
211.20677	58.8
212.21053	1.6
219.84573	4.2
220.84555	1.2
221.84241	10.0
239.20218	1.3
255.19568	0.5
257.21225	100.0
257.81937	0.7
257.94501	0.6
258.21582	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	258.1458
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.00784	4.4
58.02950	5.1
59.01360	13.1
71.42194	6.7
74.02472	13.1
78.91892	6.5
78.95898	26.4
87.05622	6.1
88.04032	18.7
91.46678	5.8
96.96953	26.7
101.07152	10.1
109.02410	4.6
125.87363	5.7
130.08742	69.6
135.16629	5.9
143.11896	9.6
146.45979	5.7
196.14558	8.3
197.12926	8.3
203.97331	8.5
214.15616	7.5
219.84573	35.8
220.08472	5.5
221.84216	79.8
257.23895	6.2
257.94635	8.5
258.14554	100.0
258.17618	23.7
259.02155	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	258.182
Annotation	Lys Leu
Peak:m/z	Relative Intensity
58.02984	0.6
59.01372	0.8
66.03484	0.4
66.41322	0.2
68.99826	0.2
69.50488	0.3
69.50829	0.7
70.02982	0.3
71.01386	1.3
71.02506	0.4
72.44964	0.2
72.99327	0.5
74.02480	0.8
78.95901	2.2
82.02986	0.8
82.06633	1.4
83.01395	0.4
83.06146	2.4
84.04552	0.7
84.08186	0.6
85.02962	0.4
87.00882	0.4
87.05646	0.6
88.04038	13.1
88.98807	0.8
89.02396	0.2
96.96956	2.4
97.04041	0.2
97.07713	4.1
97.77023	0.2
98.06115	0.3
98.22517	0.3
99.00875	3.5
99.01514	0.2
99.09267	1.1
99.24596	0.2
101.02447	0.2
101.07194	1.0
102.05621	0.2
105.01941	1.1
109.04058	1.5
110.02494	0.3
111.00917	0.5
112.07690	1.4
112.98831	1.0
113.02426	0.2
113.03586	0.4
114.05633	0.5
114.09224	1.2
115.00386	0.8
115.08749	1.0
116.07205	0.3
126.98939	0.2
127.00356	0.3
127.05133	11.9
127.08785	1.3
128.03552	2.4
129.01993	0.4
129.10342	18.2
130.08737	36.5
131.09068	0.6
139.08765	0.8
141.06723	0.3
141.10338	1.5
143.11858	1.2
144.11415	4.1
145.01433	0.4
145.06190	3.7
145.09845	1.4
152.07146	0.6
155.11908	1.0
169.09818	1.9
169.13475	0.7
171.15089	0.5
173.00964	0.3
178.13326	0.2
179.11839	0.3
187.01025	0.2
187.10823	0.4
196.14543	16.7
197.12971	0.8
197.14865	0.6
197.16507	2.1
197.99625	0.3
198.04033	0.2
198.98830	1.1
212.17674	0.5
214.15929	3.2
214.19237	23.6
215.13950	0.2
215.19597	1.0
222.12450	1.9
230.08856	0.3
240.13521	11.0
240.99876	0.3
241.11919	1.4
241.14008	0.4
258.14603	39.4
258.18198	100.0
259.02060	0.8
259.12537	1.0
259.15009	0.9
259.18500	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	259.0224
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
51.57811	0.2
59.01374	0.4
70.55925	0.3
70.78547	0.4
71.01374	0.6
72.99291	0.2
73.48966	0.3
77.20351	0.3
78.95904	100.0
80.24232	0.3
83.99089	0.3
96.96961	98.0
101.02475	0.5
113.03512	0.3
132.02986	0.5
138.98026	4.5
143.97850	0.3
150.98024	0.3
168.99068	3.5
199.00124	3.7
201.75035	0.3
223.00156	0.7
240.91534	0.5
241.01178	0.8
259.02234	27.6
260.02570	0.5
274.13947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01373	1.2
60.05931	0.4
71.01379	1.2
73.02922	0.4
78.95899	89.4
82.73178	0.3
87.92577	0.6
88.04041	0.5
96.96957	100.0
99.00884	1.2
101.02429	0.8
102.05606	0.6
103.92023	0.4
111.00836	0.7
112.98798	1.0
116.07189	1.0
117.97820	0.3
128.03539	1.3
129.10342	0.5
130.08737	2.5
131.08319	0.7
132.03056	1.0
138.98019	5.3
145.09781	0.4
145.96725	0.5
168.99039	3.2
171.15021	0.4
196.16484	0.3
199.00116	3.4
215.13911	0.7
223.00200	0.5
231.41115	0.3
236.72131	0.4
241.01172	1.4
241.11853	0.7
259.02219	28.9
259.12830	2.3
260.02606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93176	0.7
57.03455	0.6
59.01380	18.4
61.97041	0.7
63.87082	0.7
65.10297	0.6
69.03466	0.8
69.37427	2.6
123.53197	0.8
125.09746	0.7
127.11227	0.8
137.09723	7.2
155.10782	100.0
156.11118	1.8
171.08746	1.2
171.10263	24.8
172.10635	0.8
181.08746	1.8
199.09763	35.4
207.14136	0.6
215.13037	0.8
217.10802	90.6
218.11150	3.1
259.11874	19.8
260.12381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	18.6
69.44175	8.1
71.18294	1.6
74.99400	1.7
76.59416	1.6
85.11933	1.9
98.22256	7.1
114.77234	1.7
137.09721	11.4
146.93463	1.8
153.09184	1.8
155.10779	99.6
156.11113	1.7
156.95424	1.6
167.29340	1.6
171.04494	5.5
171.10287	19.4
199.09760	41.2
200.10278	1.8
215.96579	1.7
217.10799	100.0
218.11090	3.8
221.84274	11.2
223.83913	8.1
227.20305	1.7
259.11844	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	259.1298
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
53.70705	0.9
59.01373	4.5
65.47534	0.9
68.28084	0.9
71.01379	1.3
74.02492	1.0
78.95906	41.0
82.06618	7.0
84.04549	4.6
84.08179	1.3
85.02948	1.7
86.06113	1.6
87.92544	1.2
96.96011	1.5
96.96961	36.4
99.00895	2.3
99.92512	1.1
100.04034	1.4
102.05611	23.9
103.92052	2.8
111.00846	1.2
112.07719	2.4
112.98783	2.0
113.07240	1.0
116.92878	6.1
126.98891	0.9
128.03548	40.4
129.09410	1.3
129.10350	22.2
130.08742	95.3
131.01907	1.1
131.09099	2.4
133.01765	1.2
136.94009	1.8
138.97997	2.3
145.09798	1.7
145.96794	1.3
146.04597	4.0
152.77357	1.0
154.12390	6.6
156.99916	2.0
158.99667	4.8
161.96146	1.3
168.99023	1.6
171.15024	19.1
176.98047	3.2
180.70808	0.9
197.12958	7.9
215.14012	30.2
217.06912	1.4
231.08997	3.3
232.96025	1.3
241.09578	1.9
241.11923	29.4
242.12067	1.5
258.94418	3.5
259.02463	10.4
259.08163	14.4
259.12958	100.0
260.13370	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	261.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01380	2.6
62.28308	0.5
69.18001	1.4
69.18405	1.9
71.01381	5.0
72.99311	3.1
73.02946	40.7
74.02471	0.6
75.00877	1.5
78.95932	1.2
80.91676	0.7
87.00881	6.6
88.04033	0.6
89.02451	0.7
96.96951	0.6
98.99384	1.6
99.00872	7.1
101.00956	1.1
105.01936	20.1
106.02241	0.7
111.00893	1.0
112.98795	1.6
115.00378	6.8
116.92850	0.9
117.01941	100.0
118.02311	1.3
126.98868	1.7
128.03555	0.7
129.01924	1.2
130.08665	0.6
131.09026	0.6
133.01430	12.9
133.05066	1.6
141.00439	1.3
142.99840	1.2
144.99977	2.5
148.67764	0.6
154.91435	0.5
154.98399	3.0
170.96954	1.0
171.01495	1.5
172.97734	3.1
182.97833	1.5
187.01010	1.3
187.10968	1.0
200.98907	13.3
201.00705	0.8
230.98424	0.6
256.59393	0.6
260.13065	0.6
260.99167	1.4
261.05850	0.5
261.13193	0.7
271.44525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1132
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
59.01371	0.8
69.50883	0.4
69.51273	0.6
72.28100	0.2
91.05505	0.3
98.22717	0.2
103.01492	0.4
106.04217	0.5
107.05042	0.7
116.89798	0.2
121.02933	0.3
132.02168	0.3
133.02960	15.4
134.03746	12.0
135.04529	90.5
136.04845	1.9
137.02449	2.3
137.56587	0.2
139.03987	0.7
141.38383	0.2
146.46848	0.2
148.05266	1.4
161.02448	27.2
162.02751	0.5
163.03969	0.4
169.83754	0.2
178.02682	0.7
179.03496	47.8
180.03810	1.1
240.56050	0.2
261.11307	100.0
262.11649	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	261.1278
Annotation	H-Met-Leu-OH
Peak:m/z	Relative Intensity
54.90107	0.5
59.01382	4.0
69.55067	1.0
69.55456	1.7
72.10822	0.5
73.02937	1.0
74.02473	5.8
75.99249	0.5
85.02939	0.8
90.44643	0.6
96.96955	1.1
98.02479	1.0
99.00886	0.6
99.04520	1.2
114.09206	1.2
116.03568	3.3
117.10769	0.6
128.03532	1.1
130.08742	45.6
132.04521	2.2
147.05859	0.7
169.13493	1.8
213.12402	1.5
261.12778	100.0
262.13116	2.2
282.31894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
54.97445	0.7
57.03460	3.2
57.51582	0.6
57.84678	0.6
59.01372	3.1
68.99812	0.7
69.03452	1.0
91.04000	0.9
97.06591	12.2
123.08187	5.5
125.09727	100.0
126.10073	2.3
129.07451	2.6
137.54482	0.6
143.10779	1.4
169.08679	3.3
173.06264	0.6
187.09756	82.0
188.10112	2.1
192.45131	0.6
217.08676	1.1
227.06868	1.3
229.15015	0.7
261.13419	36.5
262.13702	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	261.9416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03866	3.0
59.01383	3.4
63.38728	2.6
70.96870	3.9
76.25899	2.8
78.95882	3.9
87.92531	56.6
88.93304	2.8
96.04594	4.4
101.58723	2.6
103.92033	100.0
104.92805	44.6
105.93584	8.9
106.94392	4.2
123.94639	16.3
127.92014	11.2
127.95693	7.6
128.03542	3.5
133.01369	4.1
134.01830	5.1
137.59473	2.9
145.96724	81.6
147.94600	4.6
155.95135	11.2
161.96217	47.9
163.97786	11.9
171.94649	4.7
173.96162	8.0
179.82674	2.8
189.95717	9.5
196.11813	2.7
199.94127	62.3
211.25896	2.9
217.95200	4.9
261.94165	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74010	0.4
51.22209	0.4
55.01865	0.7
59.01379	5.4
69.24149	2.3
71.01390	0.9
72.00503	0.6
72.00909	12.1
75.00856	1.2
77.32127	0.4
78.95911	1.7
84.02886	0.4
91.05515	1.3
96.96946	3.6
101.02460	0.6
103.05522	1.0
105.01902	2.2
118.96627	0.7
128.03525	0.5
131.08350	0.4
132.98248	0.6
139.07677	0.5
146.08261	0.5
147.04523	37.6
148.04901	0.6
153.87138	0.4
160.97696	0.5
164.07159	100.0
165.07542	2.0
168.86858	0.4
172.65327	0.4
179.11963	0.5
202.98700	2.4
262.16608	1.9
270.21634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82498	1.2
55.01871	1.6
59.01377	27.8
71.01387	9.1
71.44740	1.5
72.99313	5.9
73.02938	2.3
75.00868	8.6
75.85646	1.2
78.95900	3.5
83.01376	1.5
85.02950	3.8
88.37437	1.2
89.02454	5.3
90.97153	2.9
98.21893	1.3
101.02425	7.5
105.01933	92.7
106.02276	1.8
113.02466	4.6
116.98666	3.2
117.07310	1.4
118.96640	21.7
132.98198	21.1
139.73724	1.4
142.96608	2.9
146.96063	2.1
147.04512	2.0
147.06781	4.9
156.98172	5.1
158.99750	7.0
160.97665	14.6
161.04561	2.0
173.00186	1.4
174.99306	1.5
184.97688	10.3
200.97197	4.8
202.98737	100.0
203.99100	2.5
220.99821	8.6
235.97763	1.5
263.00818	13.8
263.03336	2.7
263.05746	1.8
263.16470	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	263.14
Annotation	SAHA
Peak:m/z	Relative Intensity
59.01392	6.5
64.60620	0.6
71.02492	1.1
73.02940	0.9
82.43229	0.8
85.21636	0.7
86.69625	0.7
90.13695	0.8
91.05537	10.3
105.01933	2.1
116.07176	35.9
120.99680	1.7
127.07763	1.2
127.08773	21.8
138.98180	0.7
153.06744	1.2
168.50368	0.8
182.21175	0.8
188.09111	0.7
202.12370	2.4
202.98732	2.5
203.01332	0.9
237.87617	0.7
247.10876	1.6
248.11639	1.7
263.05920	2.4
263.13998	100.0
264.14236	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	263.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97630	0.6
55.32855	0.7
59.01368	0.6
62.43996	0.6
71.28917	0.8
72.00916	1.3
73.04031	0.8
75.04888	0.6
84.48136	0.6
91.05531	13.1
98.06058	1.0
115.08778	75.2
116.09138	0.8
124.07746	0.6
147.03345	1.0
147.04530	20.1
148.04868	0.8
164.07161	11.6
176.71666	0.7
203.26645	0.6
219.15027	5.0
248.86482	0.6
263.13998	100.0
264.14316	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01370	3.3
61.98830	1.2
71.01380	0.9
71.45982	0.7
96.85030	0.8
98.22404	0.9
100.80839	0.8
114.84345	0.8
134.89488	1.2
219.17593	1.3
219.21207	1.3
243.00827	0.8
245.19356	0.8
262.70288	1.1
263.20148	100.0
264.20554	5.9
276.72583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2379
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
57.03452	5.2
61.98836	0.4
64.82373	0.3
70.01185	0.5
70.01510	0.4
83.05028	1.3
90.68507	0.3
93.03465	2.9
94.04268	0.4
109.06583	0.7
129.76521	0.3
132.54407	0.3
147.75476	0.3
188.88058	0.3
242.59464	0.4
245.22754	0.6
261.22263	0.4
263.23792	100.0
264.24118	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	265.1193
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
50.08850	0.5
51.46807	0.5
59.01385	3.0
70.33553	1.5
71.01372	2.2
71.02515	1.0
72.00900	3.5
73.04070	100.0
85.02945	1.6
89.02506	0.7
91.05517	4.8
99.00867	0.6
99.66440	0.6
101.02449	2.6
103.05573	0.7
113.02443	2.0
121.06947	0.7
124.01023	0.9
147.04521	24.8
148.04875	0.7
161.04597	1.3
164.07164	50.2
165.07520	1.7
177.10359	2.2
221.09299	93.4
222.09642	3.2
229.15544	1.1
265.11929	44.6
266.12256	2.0
276.86636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96165	0.4
55.72551	0.4
59.01350	0.6
67.74094	0.4
69.13922	2.5
79.95758	2.0
89.04855	0.5
91.46815	0.4
95.70662	0.4
95.95278	0.5
96.96009	100.0
103.58150	0.4
106.46127	0.5
130.59787	0.4
184.00945	0.5
246.19492	0.4
265.14771	79.3
266.15094	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55894	0.3
59.01363	0.5
61.89242	0.4
68.43125	0.3
71.01331	0.4
79.95726	2.2
80.96511	0.7
81.03453	0.3
83.02490	0.4
95.95224	0.5
96.96012	100.0
100.75842	0.3
103.66372	0.4
118.54976	0.4
147.37976	0.4
149.97707	0.4
155.04581	0.4
156.97784	0.4
173.29005	0.4
177.12723	0.4
247.13445	0.6
265.14774	85.1
266.15070	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29781	0.3
59.01385	0.3
61.56174	0.2
79.92506	0.2
79.95711	1.8
95.95267	0.5
96.96009	100.0
109.95422	0.2
115.26137	0.2
134.89459	0.3
184.01007	0.5
265.14771	81.3
266.15079	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	266.0894
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.01699	0.1
65.01455	0.1
69.85188	0.4
71.01385	0.1
71.42224	0.1
87.12029	0.1
88.31934	0.1
92.02538	1.3
98.03631	0.1
107.03641	5.1
134.04729	100.0
135.05122	1.3
148.06349	0.2
239.12766	0.1
243.24677	0.1
266.08932	6.0
267.09280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64468	18.2
59.01384	100.0
69.43519	32.2
69.43882	71.7
83.41795	20.4
94.99299	16.7
96.96011	29.3
168.76649	21.5
208.37094	21.1
223.13329	22.9
239.21552	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	267.0662
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
59.01373	1.9
65.03962	0.6
68.99823	2.8
69.41960	2.6
70.01003	0.5
71.01328	0.6
79.95741	0.8
81.03460	1.1
87.00844	0.5
89.03959	0.8
93.03460	2.3
96.95981	0.7
96.96958	0.9
104.33088	0.6
105.01932	2.6
108.02182	1.5
109.02951	13.3
115.05537	0.8
117.03484	1.1
119.05027	0.8
121.02943	3.6
124.91231	0.6
125.98566	0.5
129.07056	0.6
130.08775	0.9
131.05040	1.4
132.02145	1.3
133.02971	1.8
134.03696	2.0
135.04530	1.3
137.00653	1.2
138.00940	1.5
138.05591	0.5
139.00247	0.6
141.07086	2.4
143.05020	0.7
145.02986	3.6
146.03658	0.9
148.73323	0.5
149.06049	1.3
152.06339	1.9
153.07059	1.4
155.04967	0.5
155.08623	2.9
158.03746	2.6
159.04494	6.2
161.02513	1.1
165.07103	2.1
167.05045	4.3
167.08656	5.3
168.05786	1.8
169.06584	7.9
171.04520	0.7
171.08206	0.6
174.03204	0.5
177.06874	0.5
179.08681	0.6
180.05788	12.3
181.06581	5.3
182.03683	2.2
182.07292	1.9
183.04552	3.6
183.08138	17.0
184.08427	0.9
188.07256	0.7
189.07556	1.4
193.06599	13.8
194.07315	2.3
195.04489	13.3
195.08145	14.7
196.05286	23.4
197.06050	14.4
199.07724	0.7
204.05743	0.8
205.06522	1.3
206.07358	0.7
207.04633	0.6
208.05270	12.0
209.06065	14.0
210.03220	1.8
210.06834	7.2
211.04047	2.1
211.07635	52.7
212.04744	1.1
212.07982	2.3
220.05339	2.6
221.06075	28.3
222.06802	10.4
223.04106	7.4
223.07607	15.1
224.04773	30.1
225.05489	6.4
226.05835	0.6
232.05360	0.5
237.05537	9.1
238.06339	17.0
239.07121	67.4
240.04340	1.2
240.07500	4.2
248.04784	1.3
249.05557	14.9
250.06281	9.8
251.03572	1.0
251.06836	0.6
252.04266	8.1
258.86111	0.5
265.05057	3.7
266.05783	11.0
267.06607	100.0
267.14572	1.5
268.07025	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	267.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01379	100.0
69.17249	1.5
69.17656	1.8
71.05018	0.6
78.82598	0.5
82.58344	0.5
83.05033	1.1
87.00883	0.9
93.07132	0.8
96.54695	0.6
98.22594	1.2
99.04529	0.5
120.17709	0.5
147.57159	0.6
156.01851	0.5
161.13380	1.2
163.11298	0.7
207.10338	3.6
223.13387	15.3
224.13657	0.8
234.46988	0.6
267.12372	38.2
267.15622	1.2
268.12769	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	267.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
58.20658	0.4
59.01379	100.0
60.01700	1.0
69.22134	1.8
71.05028	1.6
83.05035	1.7
87.00890	1.7
96.96014	0.5
98.22620	1.1
103.75814	0.6
145.10222	0.7
147.08235	0.6
150.12743	0.5
161.09758	1.1
161.13341	2.5
163.11354	1.7
167.10748	0.8
179.47006	0.5
187.11330	0.7
205.06566	0.8
205.12419	1.0
207.10297	2.3
221.06065	1.0
223.13391	31.9
224.13762	1.8
249.05687	0.8
267.06592	0.9
267.12457	17.4
267.16058	8.5
267.18442	0.8
268.12735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
52.29538	0.4
57.03439	2.7
59.01377	100.0
60.01716	0.5
63.25156	0.3
69.16197	1.1
69.16611	1.1
71.05016	2.0
81.07075	0.4
83.05035	0.9
87.00880	1.9
107.05037	0.4
109.16004	0.4
121.03033	0.4
152.52806	0.4
161.09731	0.5
161.13345	2.2
163.11299	1.3
187.11275	0.8
192.47627	0.4
205.12363	0.6
207.10306	2.9
223.13379	45.7
224.13748	2.2
249.11447	0.4
267.12427	5.2
267.15652	0.8
267.20422	0.4
268.12656	0.4
285.88367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01379	100.0
60.01694	1.0
69.79137	1.4
71.05012	1.7
81.07133	0.6
87.00890	1.8
93.63200	0.7
99.50035	0.7
99.92291	0.8
161.13356	1.7
163.11311	2.2
187.11441	0.9
193.42216	0.8
207.10341	3.0
223.13382	44.7
224.13786	1.8
267.12451	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	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03447	4.7
59.01379	100.0
60.01705	1.2
61.70601	0.7
71.05045	2.1
73.12373	0.7
79.73283	0.7
80.32546	0.8
81.01805	0.7
83.05039	2.0
87.00877	1.9
156.18123	0.7
161.13406	2.4
163.11330	1.6
165.47833	0.8
187.11205	0.9
187.37170	0.7
205.12352	1.2
207.10291	3.9
223.13385	42.0
224.13756	0.9
267.03119	1.9
267.06699	1.0
267.12378	10.6
267.15356	0.9
268.03784	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	267.1964
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
59.01367	1.2
61.98816	1.1
71.11142	0.7
83.05017	0.4
83.17698	0.4
92.92785	0.9
93.72312	0.3
96.95994	0.5
99.08153	1.7
103.01503	0.5
121.02947	0.8
155.10838	0.4
165.12842	2.2
167.10715	0.6
185.01122	0.6
186.29587	0.4
209.04520	0.7
223.20673	1.1
267.19626	100.0
268.19946	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.5
61.98833	100.0
70.11539	6.1
78.95900	19.4
89.93489	2.9
96.96952	4.0
130.08728	8.9
136.94019	6.3
149.13499	3.6
153.06700	3.9
170.97916	3.4
205.44753	3.2
238.09200	3.0
267.94620	5.6
268.03317	3.1
268.10385	5.8
268.15247	3.9
268.91708	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	268.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18036	50.6
70.39995	93.7
71.51717	58.7
89.24736	51.7
106.37342	56.6
141.53853	50.2
153.16267	54.2
157.73106	56.6
186.95609	100.0
237.36993	64.7
277.86255	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47623	0.8
59.01376	2.4
62.79522	0.7
68.50992	0.7
71.01387	1.8
72.99306	59.9
75.22440	0.7
76.87331	0.8
78.64143	0.8
78.95927	0.8
85.39572	0.8
87.44182	1.0
89.02465	0.8
94.65883	0.8
94.79826	0.8
96.96992	1.0
98.98540	1.3
100.39630	0.9
115.00377	3.1
116.96003	1.0
128.95950	1.7
133.01419	9.4
152.95953	55.1
153.96304	1.2
162.96574	3.7
170.90210	1.1
170.97005	100.0
195.05096	2.7
233.01459	1.2
268.94739	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01385	3.5
63.02367	2.5
65.00292	5.0
74.21568	1.8
86.07549	1.9
87.04507	3.4
107.01389	4.0
117.03451	24.2
122.63411	2.0
140.29167	2.1
149.02429	6.0
151.00340	8.6
155.07132	8.3
186.95602	4.6
201.05550	2.9
216.98096	2.3
225.05585	3.0
225.14867	2.9
269.04538	100.0
269.13873	5.8
269.21219	8.3
270.04871	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02395	5.1
65.00323	2.5
70.99567	0.3
83.01385	0.9
89.00349	0.2
89.02482	0.2
93.03464	0.9
99.32447	0.2
105.03469	0.5
107.00842	0.1
107.01397	4.6
117.03468	12.9
118.03802	0.3
121.02950	0.7
131.01286	0.2
135.04575	0.8
146.71036	0.2
149.02457	3.3
151.00388	4.1
155.05009	0.4
157.06572	0.4
159.04523	3.6
161.02409	1.4
169.06517	0.9
171.04543	0.3
180.05775	0.5
181.06569	1.0
182.03694	0.3
183.04565	1.3
191.00163	0.2
191.02043	0.2
195.04585	0.2
196.05257	0.4
197.06110	1.0
197.15649	0.2
199.03941	0.2
201.05539	1.3
203.03419	0.2
224.04820	0.5
225.05562	2.5
225.14868	0.2
227.03471	1.1
241.04959	0.4
268.03745	0.2
269.04547	100.0
269.21286	0.5
270.04901	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65393	1.1
50.75631	0.9
51.02387	1.0
54.48586	1.0
55.68093	1.0
58.02232	1.0
59.01375	1.4
61.98823	1.6
89.02437	1.4
95.28004	1.0
99.08051	1.1
100.72634	0.9
127.11299	1.8
141.34033	0.9
144.87083	0.9
150.93297	0.9
152.01160	1.6
155.10808	2.4
171.10262	8.6
181.73930	0.9
186.95535	3.1
193.11545	1.0
251.20166	11.0
269.08191	3.3
269.21201	100.0
270.21524	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	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
53.38553	0.6
59.01351	1.0
63.81690	0.6
70.22811	1.1
85.06580	1.2
92.92776	0.9
94.92536	0.7
116.38654	0.6
123.69734	0.5
125.48585	0.6
127.02148	0.7
132.98184	0.8
152.01120	1.0
152.91714	0.7
167.49420	0.7
182.03909	0.7
183.13885	6.7
186.85648	0.8
186.95618	2.8
208.93373	0.9
209.04593	0.6
235.78091	0.6
251.20142	10.0
267.19705	1.6
269.08215	1.8
269.21210	100.0
270.21500	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	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03436	5.0
59.01374	20.9
61.98830	2.0
71.01363	3.4
75.55081	1.1
92.53613	1.1
92.92789	1.2
94.92477	1.4
98.21933	1.3
111.03271	1.2
113.36165	1.2
118.96734	1.2
152.01106	4.1
186.95572	2.8
197.19069	10.1
223.20663	27.1
225.22144	2.0
251.20099	2.7
269.08252	4.3
269.21194	100.0
270.21515	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	270.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98790	1.5
63.39265	1.2
65.04279	1.3
92.56815	1.2
108.02159	5.0
119.92932	1.2
164.48114	1.3
183.93417	1.3
204.21240	1.4
236.83865	1.2
270.20737	100.0
271.21112	5.1
290.20047	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	270.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89658	0.6
60.95520	0.5
67.62164	0.6
69.97298	0.5
70.92043	0.8
85.32730	0.6
108.02168	1.9
163.56714	0.5
169.12401	0.9
189.93590	0.6
198.37492	0.5
218.41388	0.7
270.20734	100.0
271.15466	0.8
271.21039	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	270.986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.7
57.03434	0.9
59.01378	2.4
70.47502	0.6
70.47830	0.6
71.01376	14.2
71.87685	0.5
72.62989	0.6
72.99311	6.5
73.02956	0.7
75.00869	1.1
78.91868	0.8
78.95902	45.4
83.01386	0.7
85.02963	0.7
87.00877	1.4
89.02435	0.8
96.96959	100.0
99.00887	11.0
100.51787	0.5
101.02428	1.1
105.01945	1.2
108.02168	2.7
109.02960	3.5
111.00857	1.3
112.98800	3.3
115.00382	3.4
117.01850	0.5
124.98788	3.7
129.01932	1.5
131.08255	1.4
133.01427	5.8
135.02092	0.6
135.02992	3.2
140.98277	0.6
142.99857	40.8
152.95915	2.1
154.95758	1.3
161.06046	0.6
161.62819	0.6
170.96976	3.4
172.96776	3.6
172.99409	1.2
173.00894	17.9
173.10445	0.7
174.99229	0.7
196.98531	1.0
205.67090	0.5
211.00156	1.2
234.14233	0.5
242.05853	2.3
271.09659	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	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.21697	1.7
53.40355	1.9
59.01359	1.8
60.31677	1.7
63.02396	10.3
65.00327	15.6
69.21360	8.6
69.67421	1.8
80.61286	1.8
83.01379	14.1
93.03435	13.2
107.01401	24.0
108.02207	14.0
109.02983	2.1
119.05028	78.0
140.61636	2.1
140.77333	1.7
145.02988	1.7
151.00377	65.2
165.01932	3.3
165.54997	2.3
169.01416	2.8
177.01958	9.3
187.04054	2.5
265.67477	2.1
271.06104	100.0
271.22684	3.2
272.06512	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	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.44195	0.4
57.03443	0.7
59.01375	1.7
63.02399	9.7
65.00324	14.7
67.01874	0.5
69.38753	2.1
71.01358	0.9
71.08396	0.4
72.99303	0.7
82.05875	0.4
83.01385	11.2
83.05051	0.5
93.03461	12.4
97.06583	0.4
98.21838	0.9
99.00852	0.9
103.26419	0.4
107.01389	23.9
108.02219	3.3
109.02936	0.8
109.06626	0.9
112.98819	1.5
113.27136	0.4
115.00336	0.4
117.03518	0.5
119.05027	67.5
120.05350	1.5
121.02926	0.7
125.02428	1.3
125.06091	0.6
135.05637	0.4
137.02428	0.6
137.06139	0.9
142.99849	1.9
143.04984	1.1
145.02946	1.6
149.06079	0.6
151.00369	61.9
152.00711	1.2
153.05531	1.8
161.06076	1.0
165.01945	3.1
169.01421	3.2
174.01689	14.1
175.02417	0.6
177.01926	8.3
178.02347	0.5
185.06088	1.1
187.03995	3.0
193.05049	0.7
206.45650	0.4
227.07164	1.3
229.05070	0.6
249.45424	0.4
271.06110	100.0
271.15509	1.6
272.06467	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	271.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04123	0.5
58.11187	0.4
59.01369	1.4
67.17791	0.5
71.01376	1.3
71.43703	0.5
72.99294	1.2
73.02950	1.1
78.95900	13.8
83.06158	0.4
88.04037	0.8
89.02447	1.9
95.02522	0.7
96.00918	0.8
96.95976	1.1
96.96958	36.4
99.00834	0.8
108.02162	2.5
112.05194	0.7
114.05603	2.2
117.01954	1.9
130.08730	0.8
131.08258	100.0
132.08606	1.2
142.99814	1.4
156.07765	5.3
173.00905	0.7
173.10425	65.4
174.10751	1.0
185.09140	0.4
211.07239	0.9
227.11516	0.5
247.91782	0.5
254.04579	1.0
271.10416	1.6
282.81848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67336	0.4
52.74803	0.4
59.01376	1.4
67.03000	0.5
68.17870	0.4
71.01382	1.2
73.02952	0.5
78.31742	0.4
78.95904	17.3
83.56477	0.4
85.02966	0.6
88.04002	0.5
88.17755	0.4
89.02442	0.9
94.36855	0.4
95.02455	0.6
96.00906	0.7
96.96078	2.5
96.96958	43.4
99.00892	0.6
103.82361	0.4
108.02191	2.3
114.05598	1.7
117.01951	0.8
130.08698	0.6
131.08261	100.0
132.08606	1.4
142.99852	2.4
147.17354	0.4
156.07817	3.6
156.08955	0.8
158.52472	0.4
159.05637	0.5
161.43196	0.6
173.00938	0.5
173.10425	60.6
174.10674	1.4
186.09288	0.5
211.07214	0.6
254.04604	1.2
271.07333	0.7
271.10422	1.4
272.18643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
61.98829	1.2
71.01382	3.7
71.17590	0.7
72.99286	0.9
73.02939	1.5
74.30067	0.7
75.00868	1.3
78.95902	40.1
79.95740	0.7
83.06135	1.0
85.02966	1.0
96.96035	20.2
96.96960	100.0
101.02412	1.4
108.02177	41.1
109.02975	4.9
113.02448	1.6
123.04533	0.9
123.98283	2.6
130.08736	24.5
131.08261	61.5
132.08575	1.0
143.71729	0.8
151.03975	0.9
156.07788	1.9
156.99297	1.1
161.04523	3.0
166.02972	2.1
169.98898	0.8
173.10432	37.8
174.10805	0.8
208.04027	2.1
212.03529	3.9
224.03520	1.3
228.07198	1.4
230.08907	1.8
254.04590	24.6
271.07172	8.0
272.09930	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
82.45736	0.5
84.02136	0.7
95.80520	0.5
105.28151	0.5
112.57037	0.5
113.72437	0.4
114.22822	0.5
125.19363	0.5
158.53659	0.6
194.28714	0.5
197.19095	1.1
221.19026	1.0
223.20714	4.1
225.22231	57.2
226.22588	2.8
253.21773	0.8
271.22781	100.0
272.23151	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	271.2279
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
50.53478	3.8
54.78593	4.6
59.01377	100.0
61.98849	10.0
87.00867	4.9
90.68182	5.1
92.92787	11.9
94.92503	14.9
99.53344	4.2
108.02198	29.1
116.92828	6.4
156.93867	4.5
182.06267	4.5
208.23517	4.9
221.32947	6.1
225.22276	6.7
271.02341	6.9
271.22757	71.2
284.81818	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	272.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26071	0.2
60.58696	0.3
60.62193	0.3
70.99699	0.3
79.95732	28.4
80.96516	10.8
80.96921	0.3
86.02468	0.3
93.97292	0.4
94.98091	0.6
96.04581	0.3
98.22665	0.4
106.98087	10.6
121.99181	1.8
124.00736	5.6
135.63741	0.3
140.07076	0.4
155.57671	0.3
164.10817	1.2
204.03362	24.9
205.03661	0.6
206.11972	0.4
242.04933	0.6
272.09607	100.0
272.69363	0.3
273.09930	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	272.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.8
72.00928	0.5
76.73594	0.3
78.95885	0.7
82.06631	0.4
92.70337	0.4
96.79361	0.4
96.96951	1.0
98.55363	0.3
106.53390	0.3
109.02486	0.4
112.56475	0.4
117.00455	1.6
125.00966	0.9
128.07196	1.3
130.08739	100.0
131.08246	0.6
131.09076	1.7
132.08604	0.6
136.38977	0.4
163.80537	0.3
168.99911	2.4
172.01120	0.6
210.06177	0.7
228.07259	2.1
230.08821	7.7
231.09093	0.4
272.09900	52.5
273.10062	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	272.1615
Annotation	(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine
Peak:m/z	Relative Intensity
50.41223	0.3
55.01878	7.9
59.01378	6.7
64.34348	0.3
66.03477	0.9
70.02969	0.4
70.46082	0.3
70.46410	0.4
71.01385	1.7
72.45078	0.3
73.02947	2.3
74.02475	0.4
75.00869	9.6
82.06615	2.5
87.05639	9.6
88.04037	100.0
89.04372	0.9
89.16424	0.3
97.04076	4.3
97.06570	0.6
98.02533	0.3
99.00863	2.4
101.02449	0.6
112.98833	0.3
114.27971	0.3
115.00368	7.4
117.01948	2.2
121.79997	0.3
124.98798	0.8
127.40784	0.3
129.01947	2.3
129.10310	0.6
140.10791	1.4
142.99866	2.6
153.10355	3.3
155.11903	4.9
157.13461	6.9
160.96487	1.2
166.08725	0.6
183.11382	18.1
184.11690	0.4
186.16034	0.7
188.69879	0.3
200.14020	0.9
201.12456	0.9
219.01454	2.1
228.17139	5.5
230.15053	0.5
246.05956	0.4
254.99054	0.8
272.16135	57.2
272.18539	2.2
272.47845	0.4
273.16418	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	272.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
64.94085	0.3
68.27974	0.3
71.01378	0.6
72.02164	0.5
73.02940	0.9
80.10274	0.3
96.72652	0.3
100.66521	0.3
110.40252	0.3
153.09409	0.3
164.74925	0.3
167.14388	1.0
197.11778	1.2
199.13406	0.4
208.16959	0.5
210.14915	0.4
211.13437	0.4
227.12828	0.7
229.14392	0.5
234.14941	0.4
236.16496	1.5
253.14481	0.5
254.17575	3.8
270.16852	0.3
272.18649	100.0
273.18997	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	272.1868
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
59.01383	1.2
64.78331	0.8
69.63005	2.5
69.63370	0.8
70.25620	0.7
73.02932	1.7
83.07375	0.8
98.22642	0.9
167.14417	1.8
193.07607	0.8
197.11853	1.4
201.03412	0.9
236.16525	1.8
253.14420	1.2
254.17619	4.8
272.18674	100.0
273.01901	2.1
273.18951	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	272.1866
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
52.09559	0.3
59.01379	4.3
71.01373	1.0
71.05018	3.7
71.20074	0.4
76.04452	0.3
82.99413	0.3
87.04514	0.4
87.05630	2.3
88.04025	0.6
97.06589	2.4
100.07663	3.3
100.70255	0.3
109.02995	1.7
110.03307	1.9
115.03988	2.1
117.92709	0.3
125.09663	0.4
128.03511	0.4
153.09222	1.9
171.10287	0.5
196.14546	0.8
198.15015	4.7
235.80890	0.3
254.17580	2.3
270.17081	1.5
272.18661	100.0
273.18997	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	273.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75587	0.5
59.01373	6.4
59.10322	0.5
69.97350	1.7
78.95898	0.6
84.45757	0.6
87.00877	1.9
99.00890	0.8
99.15035	0.6
101.61121	0.5
110.98515	0.7
111.00864	1.6
112.98809	0.8
117.00423	1.4
125.00948	29.3
126.01078	1.6
126.98871	23.3
127.99050	0.6
130.08734	35.9
130.14868	0.6
131.08340	0.9
131.09093	10.6
140.35074	0.6
141.97601	1.3
150.18123	0.5
159.01399	0.8
168.99925	100.0
170.00073	5.3
173.10576	0.8
183.01480	3.4
185.03067	1.0
211.00943	1.6
229.02060	1.0
229.07396	0.7
230.08943	1.0
231.09010	2.8
255.00075	1.7
272.09903	2.7
273.03925	1.8
273.10123	16.3
274.06253	1.4
274.09744	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	273.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97250	0.5
61.17194	0.6
71.42317	0.5
78.95902	82.4
88.98825	0.9
96.96016	3.4
96.96957	6.9
98.95609	1.8
98.97400	0.7
99.40063	0.5
100.79034	0.7
102.05640	0.7
108.57899	0.6
110.98529	56.6
125.00898	0.8
127.05138	1.1
128.03525	2.5
131.08240	1.6
145.06146	1.2
146.04601	1.0
168.99893	0.8
238.08069	0.6
241.01166	16.7
272.84921	1.0
273.03802	100.0
274.04184	1.7
282.50464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
52.97250	0.5
61.17194	0.6
71.42317	0.5
78.95902	82.4
88.98825	0.9
96.96016	3.4
96.96957	6.9
98.95609	1.8
98.97400	0.7
99.40063	0.5
100.79034	0.7
102.05640	0.7
108.57899	0.6
110.98529	56.6
125.00898	0.8
127.05138	1.1
128.03525	2.5
131.08240	1.6
145.06146	1.2
146.04601	1.0
168.99893	0.8
238.08069	0.6
241.01166	16.7
272.84921	1.0
273.03802	100.0
274.04184	1.7
282.50464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08132	0.7
58.93434	0.8
59.01362	1.8
70.80846	0.6
70.81197	1.1
71.01356	2.0
74.02463	1.8
78.95871	2.5
82.95407	1.7
83.34943	0.7
87.00890	3.8
88.04024	1.4
96.96915	2.3
99.00893	1.1
103.91991	1.4
111.00887	1.5
111.04488	0.8
111.98324	1.0
112.98759	1.9
119.00192	1.1
125.00918	1.9
126.98814	3.2
127.00694	24.2
127.01576	1.9
127.98940	2.1
128.03508	1.7
128.98621	29.8
129.01907	1.4
130.08762	3.4
130.09598	0.9
131.09071	1.0
136.93983	0.8
142.95790	0.6
142.96632	8.6
143.97260	2.1
145.96667	1.2
159.03236	0.9
160.97664	5.2
161.01163	1.2
168.99936	7.6
170.00092	5.0
170.96223	9.1
170.99632	100.0
171.99959	2.3
184.97601	3.3
185.01207	3.8
188.97177	6.2
202.98611	3.0
213.00667	2.6
230.98042	0.8
256.99692	1.7
274.09686	0.9
274.13992	1.5
275.01492	0.9
275.09677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0927
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
53.26287	0.3
55.54556	0.4
55.62654	0.4
56.49097	0.4
57.03443	0.5
59.01375	0.8
65.07223	0.4
68.02252	0.4
69.03454	0.7
69.22189	1.6
69.22599	0.5
72.04958	0.4
75.62373	0.4
77.00146	0.4
79.95744	0.6
83.01393	0.6
89.08933	0.4
93.75709	0.5
116.92848	0.6
130.04237	1.0
134.03787	0.4
146.03740	1.0
151.07693	1.1
158.03717	2.6
159.04517	4.6
159.08102	0.8
172.05295	13.0
173.06067	6.5
174.06721	0.8
175.07719	0.7
183.04504	0.4
184.05382	0.6
187.04198	3.3
187.07642	100.0
188.07956	3.8
201.05579	10.8
201.09245	0.5
202.06346	17.3
202.79816	0.4
203.03566	0.7
203.06757	0.9
203.10809	0.6
204.04314	1.2
213.09218	2.7
215.07124	0.9
216.07898	1.3
231.10251	21.8
232.10603	1.0
275.01828	0.7
275.09348	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	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01377	9.6
68.55983	0.7
69.15150	0.7
70.80797	0.7
71.01388	1.3
83.01421	1.1
83.05038	1.2
93.29675	0.8
116.92871	1.6
127.55802	0.8
135.11760	0.8
154.21794	0.7
159.04457	0.8
177.16505	2.3
192.95801	1.6
231.21190	9.4
275.20148	100.0
276.20520	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	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35572	10.2
59.01363	32.4
61.71926	12.1
61.98821	13.4
62.30177	9.9
69.08891	82.0
77.35164	10.4
98.22623	26.2
99.92573	15.8
104.97172	13.0
108.81970	12.7
116.64161	11.9
116.92091	11.4
116.92810	56.8
132.90047	14.1
134.89452	12.5
192.95872	46.3
193.88391	14.8
231.21184	100.0
239.79805	22.1
259.81104	13.6
272.31470	11.3
274.78534	12.8
275.16422	22.2
275.19830	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	275.2016
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
59.01354	2.7
63.54309	2.0
70.71360	2.2
79.52515	1.9
109.23154	1.9
116.92824	3.2
146.04198	1.8
231.21173	100.0
232.21535	4.8
245.19124	2.4
275.20056	4.9
283.74988	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	275.2014
Annotation	Stearidonate
Peak:m/z	Relative Intensity
59.01377	38.8
68.27281	8.1
68.78381	7.4
70.20026	17.4
72.61726	8.1
86.52853	10.3
98.21995	10.4
116.92863	30.9
132.39833	8.5
134.89496	14.4
174.86050	10.4
177.16478	100.0
192.95801	34.5
192.97333	10.3
231.21196	60.2
239.79916	25.3
265.18118	8.5
265.21100	10.7
275.20047	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80317	31.4
56.45267	27.2
59.52731	27.0
63.78219	29.6
63.78532	28.1
64.02776	27.5
70.64086	56.8
71.28426	25.8
99.07916	30.9
126.89935	27.5
152.91776	63.4
161.91084	27.7
162.18904	27.7
194.92815	100.0
199.86517	32.8
233.10449	38.8
239.80009	36.5
269.53577	28.9
277.21729	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58147	0.6
59.01377	0.6
60.06487	0.8
63.35591	0.8
69.98299	2.0
71.01378	14.0
72.99299	4.0
74.55344	0.6
78.95904	10.5
80.96358	0.7
87.00880	0.8
87.78340	0.7
89.02431	1.9
96.96960	25.4
105.01933	2.8
105.11971	0.7
115.00374	42.0
122.84705	0.6
133.01437	100.0
134.01747	1.4
149.04462	0.9
155.27122	0.7
166.03995	0.7
216.96643	1.1
224.20181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
62.22153	0.3
69.12074	2.3
71.01376	1.1
72.15871	0.3
78.95904	43.9
82.52083	0.3
95.75559	0.3
96.96960	100.0
98.22684	0.7
99.00871	0.6
105.75864	0.4
115.02065	0.5
128.03476	0.4
134.00636	0.3
136.94966	0.6
143.34401	0.3
178.96056	2.5
198.90567	0.8
240.91507	0.4
258.92661	1.0
277.03717	1.1
277.21701	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	277.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	32.6
59.03519	4.3
70.02994	6.8
71.01371	19.9
71.05023	12.0
71.18055	4.2
73.02956	5.7
73.82174	4.2
82.03004	10.6
83.01353	6.3
84.04541	4.9
85.02970	9.4
89.02463	8.8
90.98597	68.0
91.05556	8.1
96.95959	5.2
101.02427	15.6
113.02469	5.2
120.99700	6.4
129.07449	29.9
130.08765	32.0
141.09346	4.1
141.10349	20.3
146.08243	57.9
147.08495	25.2
159.17224	4.3
161.04584	5.7
173.06398	11.4
183.39272	4.7
191.07494	16.9
197.12935	34.9
207.42717	4.7
217.11943	12.5
241.11938	100.0
241.14407	7.5
271.46899	4.1
277.07343	9.7
277.12256	36.8
277.15570	71.6
277.21695	40.2
278.10583	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	277.1217
Annotation	Pantetheine
Peak:m/z	Relative Intensity
50.78792	1.8
58.02979	2.5
59.01371	3.8
70.02975	7.9
71.05023	24.5
78.95901	2.3
79.17350	1.8
87.05620	4.8
99.04526	6.8
116.07194	4.0
121.02945	2.6
130.03334	9.6
130.08740	3.3
134.89493	3.9
146.08235	100.0
147.05994	5.1
147.08560	4.1
152.91798	5.8
194.92834	8.9
217.11919	21.1
274.22214	2.2
277.12311	44.3
277.15442	8.1
277.21759	14.8
290.18964	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	277.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
60.30669	2.1
61.57145	1.9
82.06612	2.2
91.05528	11.2
101.58237	2.1
104.31488	2.3
111.80199	2.0
112.07699	5.7
116.92896	2.0
120.76784	2.2
120.99666	2.5
121.02981	3.5
129.10347	71.2
130.08759	6.4
134.03804	2.5
136.01700	2.6
147.04539	21.7
152.91748	7.4
162.06844	3.0
164.07146	18.6
174.82452	2.0
181.65881	2.4
194.70030	2.3
194.92834	7.7
209.04538	3.2
233.16570	3.3
277.15570	100.0
277.21689	24.1
278.15875	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	277.1558
Annotation	Leu Phe
Peak:m/z	Relative Intensity
52.10911	2.8
55.76559	3.4
56.07064	2.9
59.01375	3.9
65.45571	3.0
72.00932	3.6
73.00063	3.0
90.60082	3.0
91.05524	9.7
96.95995	7.8
121.02912	3.8
129.10350	58.6
138.97093	7.7
144.87303	4.4
147.04521	21.4
153.97301	3.1
164.07126	16.1
167.03452	3.1
194.92909	4.7
197.04599	4.6
225.81546	3.4
277.08615	5.8
277.15567	100.0
277.21695	32.6
278.15939	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	1.5
69.13792	1.7
71.01379	0.4
71.29131	0.2
71.74960	0.3
77.48703	0.2
81.56388	0.2
102.83495	0.3
121.92381	0.2
127.07680	0.3
169.20755	0.2
233.22762	0.5
259.20618	0.4
275.20157	0.5
277.21701	100.0
278.22049	5.7
293.93527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39459	0.2
59.01379	1.9
71.01366	0.5
84.47498	0.2
91.09693	0.2
127.07674	0.3
149.96539	0.2
169.45955	0.3
205.19626	0.2
233.22734	0.6
259.20428	0.5
275.19836	0.3
277.21707	100.0
278.22058	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01363	1.9
61.98827	0.9
69.40041	2.5
70.14635	0.4
71.01365	0.5
89.92097	0.5
134.89473	1.9
145.42941	0.5
201.68593	0.5
218.86745	0.5
233.22902	0.7
241.79350	1.6
275.20087	0.7
277.21713	100.0
278.22003	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42856	1.2
59.01381	6.9
61.98814	1.7
65.35484	1.7
71.12847	2.3
72.60897	1.6
99.92552	1.7
116.92872	1.4
116.94322	1.3
120.14323	1.5
121.02976	1.4
134.89456	8.6
145.78923	1.4
146.08250	8.9
147.33156	1.6
149.02435	1.2
217.11916	2.1
231.21193	2.4
233.22737	3.6
241.79337	4.6
277.18210	7.4
277.21692	100.0
278.22083	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	278.1145
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
52.35936	1.2
54.09885	1.1
58.02967	16.0
59.01365	3.5
70.02970	2.3
70.15623	2.9
70.15954	1.6
71.01392	1.4
71.02501	22.3
72.00903	7.8
78.95880	2.4
79.62463	1.3
82.02943	1.4
91.05514	8.0
95.02489	4.6
96.96928	3.6
98.02475	17.1
99.60779	1.2
101.02459	1.3
109.01666	3.4
112.05181	2.9
113.03566	33.5
116.92855	1.5
118.06621	18.4
126.04348	10.7
130.06218	18.8
147.04523	32.4
148.04976	1.8
148.07632	3.1
149.02412	2.7
164.07153	100.0
165.07518	3.4
175.07321	2.0
175.08757	29.4
199.08800	2.9
200.07126	4.2
216.11493	2.7
217.09827	13.0
221.09288	1.4
234.12550	1.3
242.06184	2.3
244.06134	3.6
260.07169	3.3
261.08792	33.9
262.09128	2.2
278.11438	75.5
278.22064	2.5
279.05090	1.3
279.08469	1.9
279.11264	3.1
279.13736	2.4
279.23386	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	279.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11263	0.3
59.01376	3.3
69.70714	0.7
69.71075	0.6
71.01384	1.7
72.99310	3.8
75.00873	8.7
78.95871	0.6
87.00876	0.6
89.02438	0.9
96.96974	1.1
99.00892	0.5
105.01933	100.0
106.02251	1.2
111.75080	0.4
112.98785	0.4
113.02433	0.4
115.00391	1.7
117.01929	0.5
117.05532	0.4
124.98795	0.6
133.01402	2.8
135.01967	0.7
135.02995	8.4
137.27737	0.3
142.99866	8.4
151.32994	0.3
173.00932	1.9
243.06226	0.7
265.43954	0.3
279.10825	0.9
279.13541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82746	1.8
59.01374	4.2
71.45499	2.8
72.00393	8.7
72.97512	3.7
74.02472	5.6
80.96537	2.3
87.00867	29.2
90.98593	100.0
94.37192	1.9
96.96005	13.4
117.00167	2.4
121.02943	9.9
129.07445	93.4
135.01216	7.1
135.86276	1.9
145.06897	3.0
147.08493	91.6
153.47580	1.8
164.07025	1.9
165.67555	1.7
173.06406	23.4
179.00189	35.8
191.07457	24.2
217.09009	29.3
218.09311	2.1
222.07683	6.2
235.10031	12.7
261.08093	12.3
279.01981	4.2
279.09091	42.7
279.12161	2.7
279.15723	2.5
279.23260	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	279.1349
Annotation	L-tyrosyl-L-valine
Peak:m/z	Relative Intensity
59.01379	17.3
71.01378	8.5
71.02488	0.8
71.05012	1.2
72.99299	1.3
73.02946	0.6
73.04099	0.9
78.95895	0.7
79.93989	0.5
85.02935	1.0
87.00881	0.9
89.02445	8.2
93.03427	0.5
96.96978	0.6
99.04491	2.5
100.93382	0.8
101.02441	3.8
105.01910	2.2
106.04230	3.1
107.05029	21.6
113.02425	3.2
115.08772	5.0
115.92055	0.9
116.07175	36.8
117.05579	6.4
117.07478	1.0
119.03535	4.2
119.05022	5.0
121.02947	1.0
123.04516	0.7
126.04413	0.6
127.08772	12.5
129.10390	3.8
134.06126	2.5
136.42918	0.6
139.04001	1.7
147.04501	1.1
149.02452	1.9
162.05569	0.5
163.04022	0.7
164.07140	0.7
173.09305	7.7
180.06572	0.6
188.50996	0.5
218.11795	3.2
219.03110	0.6
223.61794	0.6
235.14497	2.3
279.10760	15.7
279.13486	100.0
279.23218	2.9
280.11166	1.1
280.13858	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	279.1967
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
51.35574	0.9
55.13291	0.8
57.84356	0.8
59.01376	1.0
59.80470	1.0
66.83787	1.0
78.95847	1.1
96.95996	1.6
98.54688	1.0
125.09707	3.6
125.57861	0.9
134.89513	1.5
139.11264	2.1
142.56898	0.8
177.16486	4.1
215.18193	1.0
233.19133	2.4
243.79219	1.5
254.15849	1.1
279.19644	100.0
280.19946	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.86597	0.9
69.42532	1.7
69.42888	3.7
74.14529	0.9
88.49246	0.8
98.22670	0.9
108.42879	0.9
108.85355	0.8
152.66966	0.8
163.02263	0.8
174.71278	1.0
174.72873	0.9
261.48611	1.0
276.10846	0.9
279.23297	100.0
280.23621	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	281.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27091	1.2
59.01367	5.9
59.47905	1.1
60.99306	12.6
70.05599	3.3
71.01352	1.3
78.95881	2.0
88.98801	100.0
95.86902	1.0
96.95981	2.0
96.96954	2.4
101.02450	1.1
103.92039	3.2
122.89458	1.9
124.89122	4.2
145.06168	1.4
146.04568	1.6
152.00941	1.2
281.24844	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.2
71.01386	2.5
72.99325	0.3
83.01403	0.3
89.02451	1.1
91.05500	0.3
93.03472	0.4
101.02457	1.1
105.03445	0.3
107.05057	1.1
109.02950	1.8
111.00890	0.4
113.02388	0.3
117.03500	0.5
119.05064	0.4
121.02948	0.9
123.04552	0.4
131.04970	0.3
132.02179	1.0
133.02954	24.7
134.03757	8.2
135.04523	97.9
136.04848	2.9
137.02443	3.0
139.04016	0.9
141.30382	0.2
147.04504	0.7
148.05293	3.3
149.06081	17.5
150.03188	0.3
150.06424	0.7
151.04031	0.3
159.04549	0.5
160.81207	0.3
161.02438	68.1
162.02769	2.6
175.04004	1.1
177.05563	26.8
178.02690	1.4
178.05894	0.8
179.03490	100.0
180.03810	3.3
189.05536	0.3
203.03534	3.0
207.06528	0.6
221.04541	39.0
222.04915	1.8
233.04561	0.4
281.06650	27.5
281.24667	0.6
282.06946	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	281.1395
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
51.30311	2.5
54.58799	2.2
57.03447	5.5
59.01378	32.5
63.76847	2.1
70.46143	2.5
70.93868	2.8
74.50903	2.6
119.08663	5.2
128.31299	2.2
137.09720	35.4
177.12866	6.8
219.84676	3.3
221.11855	6.9
221.84227	4.5
235.64362	2.6
239.12865	100.0
240.13176	7.2
281.13919	6.9
281.24789	10.5
282.20743	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00362	1.4
52.37527	1.4
56.78850	1.3
57.03448	13.1
59.01377	20.8
62.21818	1.5
69.22811	4.1
69.23238	4.8
71.12927	1.5
73.02945	100.0
79.05525	2.7
81.03447	9.9
83.05017	8.3
87.00876	3.1
95.05014	6.6
96.96025	2.0
98.22644	3.3
102.34011	1.5
107.05033	4.3
107.37603	1.4
113.06097	6.7
125.06052	9.9
145.10214	2.7
151.12343	1.6
161.09741	8.2
161.13347	3.4
163.11298	6.6
172.08748	1.6
185.29944	1.4
187.11281	33.9
188.11557	1.8
189.09265	1.7
205.12308	14.4
207.10260	27.5
219.13844	8.4
231.10196	4.6
249.11250	7.2
263.12991	9.5
281.14011	13.2
281.20828	1.7
281.24664	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.16112	2.4
57.03447	9.3
59.01381	30.5
64.60390	2.3
65.03965	3.6
71.16462	2.6
73.02955	2.8
74.99091	2.7
83.05028	17.7
87.00875	16.7
93.93589	2.3
95.05042	4.3
96.96001	2.7
111.04520	6.6
111.08147	5.8
121.06570	4.7
123.08164	32.7
127.94147	2.4
137.09729	3.1
139.07675	9.0
145.10310	3.6
151.07690	3.1
153.09216	5.7
167.98795	3.1
171.11797	37.3
183.62764	2.8
189.12846	9.5
191.02994	4.4
201.12909	13.4
204.86754	2.3
207.13983	6.7
209.03955	7.1
215.41878	2.6
219.14021	6.0
228.69313	3.3
237.14967	47.8
245.83871	3.3
281.02502	11.6
281.10974	5.0
281.13974	100.0
281.24789	14.1
282.14349	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	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
59.01379	1.0
71.44147	0.2
98.03796	0.3
115.17573	0.3
125.02475	1.1
126.03240	2.5
127.29748	0.3
127.88087	0.3
129.22621	0.3
139.03986	0.4
158.02211	1.1
173.45293	0.3
209.19101	0.9
219.21237	2.8
237.22336	0.3
253.21722	0.8
281.21213	100.0
282.21585	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	281.2485
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
57.03436	1.7
59.01371	1.0
69.03452	0.8
69.06153	0.4
69.31548	1.3
69.31937	0.8
71.01383	17.0
72.02168	55.1
73.02530	0.8
73.02945	3.3
80.02689	0.4
80.96517	0.5
83.05026	0.5
87.04500	1.2
96.95987	0.7
98.03732	2.9
105.94098	0.4
136.89252	0.4
180.85930	1.7
189.01686	0.4
237.22218	4.9
239.23833	1.0
251.23882	1.1
253.25375	1.7
263.23788	31.5
264.24173	1.7
280.78442	1.0
281.24863	100.0
282.25244	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	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
71.21149	2.0
128.12138	1.9
225.42429	1.8
239.93155	1.9
277.59741	1.8
281.24847	100.0
282.25113	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	282.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
66.00969	0.7
69.83833	0.5
74.32392	0.2
76.84610	0.2
79.82536	0.2
82.04108	1.4
93.88772	0.2
97.73839	0.2
98.21964	0.4
105.02032	0.2
107.03632	3.9
108.02039	9.4
126.03094	3.8
130.08746	1.6
133.01564	28.1
134.01929	0.6
150.04214	100.0
151.04613	1.9
164.05835	0.3
201.02493	0.3
207.29054	0.2
282.08435	30.1
283.08682	1.8
283.26459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2074
Annotation	epi-Tumonoic Acid D
Peak:m/z	Relative Intensity
53.54796	0.6
59.01373	5.7
65.82621	0.6
71.01388	1.3
87.84579	0.6
90.05624	0.6
95.86161	0.8
96.44838	0.7
100.92850	0.7
108.37834	0.6
108.93861	0.7
109.90561	0.8
121.89735	0.6
138.10033	1.6
201.02626	1.2
210.27153	0.7
240.13162	4.7
282.20728	100.0
283.21176	5.1
283.26352	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	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04716	0.4
59.01379	100.0
60.01698	0.6
65.63472	0.4
69.16249	2.4
91.84673	0.4
99.98906	0.8
108.95812	0.4
113.04639	0.4
141.99971	17.0
144.05740	0.4
157.03577	5.9
159.01529	2.0
184.01004	6.1
185.01125	1.7
186.00775	0.6
195.28525	0.4
201.02550	91.3
202.02692	6.1
208.26601	0.3
283.26385	1.8
284.01135	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	283.0858
Annotation	Psilocybin
Peak:m/z	Relative Intensity
57.03453	0.2
59.01379	13.6
60.07277	0.1
61.98816	0.2
68.34307	0.2
69.03462	0.3
69.15276	0.5
69.15677	0.5
71.01364	0.3
72.21708	0.2
74.87889	0.2
79.95755	0.6
87.00861	0.2
93.09632	0.2
96.96009	100.0
97.02927	0.4
97.95959	0.2
98.08052	0.1
99.04519	0.2
100.45187	0.2
101.02436	0.2
123.08125	0.2
125.06062	0.3
127.11282	0.5
142.51392	0.2
149.09747	0.3
155.10789	0.3
157.12326	2.5
157.13521	0.3
185.08191	1.1
191.38666	0.2
203.11020	0.2
203.12863	5.6
209.11803	0.3
216.86127	0.2
239.12920	0.6
261.59103	0.2
283.06009	2.0
283.08600	24.8
283.15381	0.7
283.26401	2.5
284.03284	0.2
284.08850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1188
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
54.66502	3.9
57.03448	7.4
59.01376	70.4
59.80783	3.4
68.47662	3.8
69.03457	7.5
69.16123	19.9
71.01393	4.1
71.05009	4.0
79.05524	62.3
80.59717	3.5
83.05009	4.9
85.02955	4.1
95.05022	12.3
97.02946	10.0
97.06582	35.8
98.21826	6.3
107.05082	6.3
109.06594	6.6
123.04491	7.5
125.06113	8.7
127.07685	5.1
141.05580	15.3
141.06548	3.9
158.45265	3.3
177.12964	5.2
185.08229	7.2
202.91617	3.6
203.34377	3.4
220.73529	3.7
221.11732	3.9
239.12886	7.6
241.14386	6.1
241.30382	4.0
255.02946	3.8
264.19403	4.4
265.10861	5.1
283.06149	9.9
283.11877	100.0
283.15060	4.8
283.19043	3.8
283.26392	48.6
284.12244	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	283.1187
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
59.01379	19.5
59.40199	0.8
60.99296	1.8
61.66873	1.1
69.16795	4.4
79.05527	100.0
80.05836	1.2
91.05556	1.6
94.08755	0.9
95.05022	7.3
96.96000	1.0
97.06584	59.0
98.22617	1.9
107.05000	1.6
109.06553	1.8
113.79340	0.8
123.04589	1.1
125.06079	1.6
135.04518	1.6
141.05576	25.2
144.05763	1.0
159.11844	1.2
161.09721	3.2
163.00357	1.5
177.12793	1.3
179.10762	2.2
201.02576	2.4
221.11728	4.9
223.09735	10.3
239.12877	5.7
248.94882	0.9
263.46887	1.0
265.10846	2.7
270.12845	1.0
283.02484	1.5
283.08698	1.8
283.11853	31.3
283.26364	7.9
284.12283	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84125	0.2
57.03448	0.3
58.97145	0.3
59.01377	36.4
72.04784	0.2
77.03987	0.2
79.95757	0.8
83.05003	0.3
96.96008	100.0
97.02968	0.4
97.06613	0.3
97.95943	0.4
98.21852	0.8
102.98620	0.6
117.03394	0.3
127.11286	0.5
157.12352	2.1
165.09184	0.8
170.71437	0.3
185.08189	1.1
195.03041	0.3
203.12868	5.1
209.11835	0.8
239.12833	0.4
283.06003	2.3
283.08615	22.4
283.15396	0.8
283.26392	2.7
283.35300	0.3
284.08963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38524	1.0
55.15544	0.9
59.01379	100.0
60.01675	1.0
62.31570	0.8
73.02947	10.1
74.43694	0.9
102.98591	1.6
103.22591	1.0
137.09715	16.7
205.12309	4.9
255.02928	5.6
258.77008	1.0
283.02380	2.0
283.06021	1.9
283.15588	2.2
283.26474	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.77348	0.8
53.26852	0.7
55.84272	0.7
63.72414	0.7
71.06758	1.0
86.06702	0.8
86.33840	0.8
89.36258	0.7
107.05032	95.3
108.05381	2.9
109.77855	0.8
113.92235	0.7
119.22876	0.7
127.41200	0.6
131.63550	0.7
163.11288	96.7
164.11591	4.0
214.71936	0.8
283.17035	100.0
283.22699	4.8
284.17374	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	284.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
60.01707	0.9
61.98833	2.3
69.07781	1.5
69.08205	1.3
98.00988	1.1
99.98907	4.1
113.54475	0.5
120.64487	0.4
134.89523	0.9
139.94214	1.2
140.02061	1.1
141.99963	100.0
142.87642	0.7
143.00081	4.3
184.01010	31.5
185.01131	1.6
189.23865	0.4
197.24083	0.5
199.99020	0.7
201.02585	1.0
202.02689	4.1
203.02315	1.6
242.00061	1.4
283.26294	2.9
284.01123	47.5
284.26736	1.2
285.01233	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	284.125
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
55.33495	1.5
56.96917	2.1
59.01375	29.6
60.01679	1.8
61.98824	3.3
66.03498	1.7
67.39305	1.6
70.23537	4.8
70.35247	2.0
71.01398	2.2
74.02465	4.7
75.00851	2.6
78.54755	1.7
78.95887	10.0
82.02976	3.3
83.06147	11.1
84.04525	4.4
88.04043	5.5
96.96966	8.5
101.07233	3.1
105.01921	24.6
109.04057	3.5
111.05624	2.9
113.07210	62.0
114.01968	8.8
114.05615	20.5
114.84809	1.6
117.00486	2.4
123.04536	4.3
123.26693	2.0
124.00396	5.3
126.01967	3.2
127.05124	21.4
128.03535	4.7
136.94896	2.0
138.05615	2.2
139.08789	6.7
141.00488	4.5
141.10350	2.1
141.99942	43.2
143.00069	2.7
143.11920	4.1
145.06209	8.2
159.01489	2.5
160.04074	2.7
165.99960	1.8
166.05061	1.7
168.99966	1.8
169.09828	4.8
178.09947	2.1
178.96118	2.7
180.11420	89.3
181.11739	2.1
184.01007	15.0
187.00996	5.5
187.10847	13.9
190.00313	2.3
198.12466	79.5
201.02618	1.8
202.02692	14.1
203.02304	4.2
208.99426	4.8
209.99004	4.7
224.05727	8.2
224.10452	11.5
224.96526	6.8
240.13643	3.5
240.17310	3.6
242.11557	3.9
242.97653	2.1
266.11432	47.2
283.26462	4.6
284.01154	16.9
284.07825	20.8
284.12552	100.0
284.16068	11.4
284.26773	10.7
285.01193	3.3
285.07843	7.0
285.12811	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	284.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	31.7
62.07513	1.0
63.73074	0.9
79.07603	0.8
81.03450	7.8
83.05025	2.2
93.03437	1.2
95.05039	3.1
97.06586	24.6
99.08134	1.4
114.05598	4.4
123.04553	1.1
130.08734	1.9
135.31020	0.9
141.05621	1.1
153.12819	6.3
157.08688	2.8
163.03922	1.1
169.09808	1.6
179.10789	5.1
180.05168	0.9
181.82738	1.0
183.14999	1.1
197.11826	36.3
202.98737	1.7
209.11758	2.2
225.16109	4.5
227.13956	1.3
235.13319	4.7
266.17609	2.3
274.29846	0.8
284.18674	100.0
284.26801	4.4
285.19006	7.0
301.70361	0.9
302.52466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.63243	1.0
59.01378	3.0
65.00321	3.0
70.36932	2.4
83.01385	1.2
107.01388	5.3
116.23636	1.3
116.27548	1.3
121.02951	1.9
123.04514	2.7
125.87322	1.9
133.02951	24.4
134.89447	1.6
149.02444	4.8
151.00391	9.8
174.99237	1.9
175.03978	4.0
182.82214	1.1
199.03992	3.7
201.01869	2.5
202.98755	3.1
217.00287	2.8
217.05109	2.8
220.87161	1.7
241.05168	1.8
247.13148	1.0
285.04041	100.0
286.04474	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	285.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70711	0.2
56.78476	0.2
57.90909	0.2
59.01379	2.2
69.65270	0.2
70.08466	0.4
72.99306	3.1
75.00871	4.9
88.09626	0.2
105.01934	100.0
106.02272	1.2
110.89877	0.3
230.65457	0.2
264.25961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
61.98793	1.6
62.95325	1.5
72.00909	7.2
72.28413	2.0
74.02472	23.7
78.95911	7.1
95.05119	2.2
96.96952	18.9
99.44604	1.8
105.01952	9.5
114.05622	3.2
115.08759	2.2
116.05064	40.1
116.07204	5.6
123.04537	6.0
129.05804	2.1
130.06609	10.4
130.08746	1.9
142.06618	11.8
143.11867	2.0
159.09311	8.1
186.05585	2.6
186.95642	1.7
202.98741	4.1
203.08255	100.0
204.08557	4.0
225.06439	57.6
226.06725	2.4
269.15979	1.6
284.26785	6.5
285.08456	5.8
286.17709	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.67011	0.4
59.01380	1.5
61.98834	0.7
65.74693	0.3
70.70592	0.5
78.95905	14.2
81.03450	0.4
83.05029	0.6
84.02169	0.6
85.06593	3.6
99.08173	0.8
99.91716	0.4
111.08138	0.5
123.04524	0.4
123.08177	1.0
125.09712	1.7
125.87325	0.5
127.11275	2.1
127.44228	0.3
134.89510	0.4
138.91895	0.4
139.95010	0.3
154.37762	0.4
155.14407	0.7
171.10271	3.9
174.99335	0.9
199.13382	0.7
202.94241	0.5
202.98778	1.2
217.00334	0.5
221.19209	0.5
223.20650	1.2
249.18642	0.6
265.18039	1.7
267.19659	6.4
277.60202	0.3
283.19055	0.4
285.20712	100.0
285.91229	0.4
286.21082	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.93539	4.8
57.02432	5.5
81.72057	5.3
81.95370	5.9
90.37402	5.4
92.92793	24.3
94.92495	11.1
116.92904	5.5
133.02966	6.5
139.10718	6.9
202.94096	7.1
215.72516	5.3
239.23811	53.5
285.04056	29.9
285.24283	100.0
286.24545	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	286.1774
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
50.08750	4.4
56.37935	4.5
57.35653	5.7
59.01376	14.3
61.98820	4.8
69.36640	16.2
73.04079	14.6
116.07169	43.8
125.07206	7.0
125.87331	5.4
127.87042	13.3
130.08736	65.9
143.11893	18.0
154.89354	5.0
155.08275	14.3
169.09836	15.0
185.16621	35.8
198.88318	6.3
213.91847	4.7
242.18782	19.3
278.61115	5.1
285.92847	7.3
286.17712	100.0
286.20383	30.1
287.18079	4.9
288.88092	5.2
292.85425	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	286.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
62.30317	0.6
69.63699	2.5
71.01363	0.9
73.04068	12.4
74.02445	1.2
83.02488	1.8
85.02957	1.4
87.05633	2.4
88.04002	1.1
97.06569	0.7
98.02458	0.9
98.21931	1.4
99.00879	0.8
100.07681	0.8
114.05624	0.8
115.04041	1.2
116.07182	83.1
117.07505	1.7
123.04546	0.8
125.10776	0.7
129.10347	7.5
129.49301	0.7
130.08719	6.4
139.08780	6.2
141.10345	4.9
143.11871	3.8
155.08282	1.2
166.08751	1.0
168.13924	1.1
169.09818	19.1
185.11639	0.8
185.16595	37.9
186.16914	1.0
195.43889	0.7
200.17693	1.6
206.08266	1.7
210.16187	1.7
217.10764	0.8
229.15565	1.4
242.18724	15.9
243.19041	0.9
244.16612	1.2
248.50624	0.7
286.17682	100.0
287.14975	3.2
287.17996	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	286.1773
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
52.74563	1.0
58.02958	1.0
59.01359	4.3
61.98808	2.1
63.76894	1.2
64.09960	1.0
69.75938	3.1
74.02473	100.0
81.77666	1.1
82.06631	5.6
84.08143	1.0
88.04034	2.5
98.22570	1.4
98.36204	1.0
99.19621	1.0
104.63908	0.9
115.08775	21.8
119.12489	0.9
125.07233	5.9
126.09238	5.0
129.10295	4.5
130.08736	6.8
131.08287	2.2
138.62302	1.1
139.41327	1.0
143.11911	28.0
174.99106	1.6
181.13477	6.7
183.15002	8.3
185.16606	1.7
187.10880	1.3
194.86671	1.0
198.09145	1.1
200.17677	9.0
211.12589	1.4
211.14514	24.7
224.99776	1.0
229.15604	1.4
232.22987	1.2
242.16516	2.0
242.18759	28.2
243.18875	1.3
244.16628	5.1
269.16119	2.9
286.17688	84.7
287.17944	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	286.2025
Annotation	O-octanoylcarnitine
Peak:m/z	Relative Intensity
52.53456	1.7
53.54448	1.8
59.01379	100.0
61.98825	2.0
69.24126	4.0
69.24534	3.8
88.16911	1.4
95.22381	1.6
98.22674	1.9
118.31509	1.7
125.87294	2.2
129.10341	2.3
142.58528	1.5
189.95880	1.5
193.11867	1.4
226.18121	4.0
277.35696	1.5
286.20230	82.4
287.20575	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	286.2024
Annotation	(plusmn)-Octanoylcarnitine
Peak:m/z	Relative Intensity
57.03430	0.3
59.01361	0.2
69.11102	0.8
69.11522	1.0
78.66739	0.2
84.02161	0.3
96.61404	0.3
99.04516	1.0
108.48872	0.3
109.02956	0.3
112.54144	0.3
125.02419	0.4
137.02449	0.7
149.02397	0.4
167.14413	0.8
169.12329	0.4
175.04027	0.4
181.12379	0.4
183.13921	1.7
184.13487	0.4
185.23399	0.3
197.11778	0.4
199.13420	0.9
201.05424	0.3
211.13411	1.3
219.06583	0.3
227.12907	1.2
250.18033	1.3
253.14548	0.6
259.06226	0.3
268.19183	5.6
269.04636	0.3
269.19611	0.3
286.20227	100.0
287.05618	0.9
287.20581	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01356	1.3
60.95834	0.4
61.98825	1.3
70.02982	0.6
70.47495	1.0
74.06113	2.5
91.28674	0.4
93.76138	0.5
111.23925	0.5
118.05120	1.1
126.79000	0.5
144.81419	0.5
240.23318	2.7
242.21234	1.1
268.22842	0.8
286.23874	100.0
287.24329	6.7
301.71213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
52.93054	0.3
54.11238	0.2
57.03456	0.3
59.01376	0.3
59.80122	0.2
63.02393	2.3
65.00324	12.1
69.70428	0.7
83.01384	5.1
91.05511	0.3
98.91499	0.2
107.01388	16.5
107.05022	0.6
108.01713	0.3
108.99271	0.3
109.02957	2.4
110.43461	0.2
117.03447	0.2
117.92207	0.2
125.02447	4.4
134.03757	1.9
135.04524	100.0
136.04857	3.3
151.00368	92.8
151.11282	0.8
152.00731	2.3
159.04663	0.2
161.02438	0.6
165.01909	0.6
169.01419	1.3
169.12323	3.0
177.01915	0.5
213.11290	1.1
269.04480	0.3
287.05603	17.9
287.14944	0.8
288.05905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.5
57.25737	2.1
59.01369	3.7
69.03444	3.8
69.64751	5.8
69.65123	4.2
77.03973	4.8
81.03481	4.7
83.01380	17.7
87.50188	2.1
93.03462	12.0
95.01396	4.3
95.05025	2.4
97.02935	5.8
98.60988	2.2
107.05006	5.3
108.02168	5.7
109.02955	40.2
119.05030	2.4
120.66768	2.2
121.02963	35.2
123.04529	3.5
124.01678	12.3
125.02446	77.8
131.05025	2.8
133.02954	7.5
135.04498	14.1
136.01743	2.8
137.02446	100.0
138.03029	1.6
140.89040	1.9
145.06529	3.9
146.03766	2.8
147.04532	9.1
148.05327	3.8
149.02441	47.4
149.06056	4.6
150.03337	11.8
151.04022	19.8
155.05038	3.3
157.06624	3.9
158.03749	6.9
159.04507	19.2
161.02449	23.8
162.03189	3.5
164.01135	7.6
165.01927	30.1
171.04460	4.3
172.05301	11.7
173.02277	2.2
173.06071	19.9
174.03212	6.6
175.04001	51.9
175.05479	3.6
176.04633	3.9
177.01941	9.8
177.05537	20.3
182.03737	3.1
183.04510	7.1
187.03798	2.5
187.07654	3.1
189.05583	10.8
191.07118	5.0
197.06032	8.2
199.04042	9.6
199.07727	2.9
200.04805	5.8
201.01735	3.2
201.05559	48.8
202.05952	3.2
203.03545	14.2
213.05551	3.1
215.07022	11.0
217.05043	19.1
219.06628	30.3
225.05589	10.6
227.03517	4.3
241.05008	11.5
243.02931	7.3
243.06641	20.2
244.03909	2.8
245.04561	9.3
257.04633	3.0
258.05292	7.1
259.06104	48.1
269.04520	13.0
287.05612	92.7
288.05914	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	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
56.67134	5.9
57.03435	20.0
59.01366	21.0
61.98809	6.2
65.00314	13.4
71.87643	5.6
74.85594	6.0
83.01400	13.8
85.83403	6.0
85.83933	6.9
88.24053	5.8
99.51080	6.7
101.64182	6.2
107.01401	6.6
108.37611	5.7
125.02450	100.0
127.87061	7.8
151.00333	20.4
152.01164	10.9
177.05603	18.5
178.99844	10.6
195.85287	6.2
243.06577	17.6
259.06067	92.3
287.05573	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.3
59.01367	7.6
59.28312	2.2
60.33897	2.4
65.00324	6.8
69.43988	3.9
69.44390	8.4
81.03457	3.1
83.01382	8.4
93.03429	3.1
98.22609	4.1
107.01358	3.8
109.98890	2.3
124.01665	3.9
125.02451	100.0
126.02820	3.6
129.82132	2.1
133.02931	2.5
151.00363	7.7
152.01141	6.6
159.04526	3.5
173.06020	4.5
177.05583	13.2
178.99832	3.3
201.05539	8.7
215.07092	5.1
243.06599	11.5
247.83960	2.1
259.06097	67.3
260.06473	4.7
286.20187	20.6
287.05649	48.4
287.14948	5.1
287.20477	11.7
287.90399	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	287.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.8
60.92795	0.8
61.98803	0.7
63.05217	0.7
69.03465	3.6
69.31407	3.0
71.01379	2.0
72.99304	1.5
74.02472	8.1
75.00875	2.0
78.95910	1.1
79.01887	0.8
81.03445	0.9
83.01396	3.8
85.02958	0.8
87.05645	3.4
88.04063	3.6
89.00971	1.0
95.83164	0.7
97.02951	2.9
98.99380	1.0
99.00887	3.3
101.00944	2.1
103.00688	1.1
104.03538	2.0
105.01900	1.2
107.01391	0.9
112.98781	1.4
115.00367	1.1
115.02508	1.1
117.00450	15.5
117.01907	0.6
118.00551	1.3
119.00196	3.3
121.32916	0.7
124.01687	1.2
124.98858	1.5
125.02448	100.0
126.02776	2.2
126.98831	1.1
127.02512	1.4
127.05157	1.1
128.07140	0.8
128.96794	1.7
129.00436	1.5
129.02150	1.8
130.08743	21.7
131.02002	8.5
131.08224	1.7
131.09102	1.7
132.02061	0.8
132.98163	1.4
133.01768	1.0
137.02451	0.8
141.00438	4.8
143.00143	3.2
143.01982	3.9
143.11916	1.7
144.99907	7.2
145.01797	2.1
145.09840	21.9
145.99446	1.1
155.02014	0.8
155.11894	1.7
156.99948	2.9
158.99785	0.6
159.00208	0.8
159.01479	6.9
159.03366	1.9
168.99974	5.7
170.97842	2.3
170.99992	0.9
171.01514	2.2
172.01109	1.0
172.97739	0.9
173.01147	0.9
173.02975	0.7
173.10559	0.8
182.99594	0.8
183.01550	1.8
183.11389	1.9
184.99588	1.1
185.01259	2.5
187.00990	2.5
189.00858	0.8
196.99429	4.3
198.99319	1.3
199.01045	1.9
200.17747	1.0
201.00885	1.1
201.18007	2.2
201.31537	0.8
210.02699	0.9
214.15692	1.8
217.00595	1.0
224.98914	1.8
225.01044	0.8
226.15614	1.4
226.96552	1.8
226.98587	1.0
227.00575	5.2
229.58319	0.8
241.00542	2.3
244.12984	2.1
245.06905	1.4
245.09569	0.7
245.16972	2.1
253.46187	0.7
255.00027	3.8
258.14536	6.2
259.01724	4.0
260.01660	0.9
273.03241	2.8
286.18900	1.0
287.00995	6.6
287.04614	0.8
287.07870	3.8
287.11014	8.8
287.14230	1.5
287.19412	6.9
288.00635	0.9
288.07629	11.7
288.10660	0.8
288.15564	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03447	9.1
59.01378	30.2
61.49989	0.8
69.26366	4.4
70.30540	0.7
71.05023	1.6
83.05006	1.3
87.84418	0.7
97.02920	1.5
98.18287	0.8
123.04497	0.9
139.07602	1.9
139.11290	11.1
148.47124	0.8
163.11249	0.9
165.12878	0.9
181.12338	6.3
183.10234	8.1
183.13890	1.7
185.71486	0.9
201.11301	1.7
207.13937	2.6
209.11836	1.2
225.15004	7.2
227.12871	37.7
228.13113	1.8
251.13019	1.1
269.13956	13.0
271.99585	0.7
287.15005	100.0
288.15375	6.1
288.18295	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	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
59.01378	100.0
63.88562	2.2
65.52448	2.2
89.35647	2.3
96.96012	75.1
97.95982	3.1
147.16426	3.2
151.11273	2.4
169.12366	4.8
207.13950	3.4
209.11775	6.9
213.11382	5.6
217.18057	2.5
225.14989	4.7
227.12894	44.7
229.07303	2.5
269.13901	11.7
287.09531	10.0
287.15015	97.1
287.18542	13.0
288.15469	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	287.9216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75943	0.8
54.12138	0.8
59.01375	3.9
59.79042	0.8
71.01381	1.6
76.06092	0.9
78.95911	1.9
83.93082	2.5
86.86404	0.9
87.56843	0.8
96.96011	1.7
96.96957	3.2
99.92584	100.0
100.92619	3.1
100.93365	13.6
101.94129	1.2
103.92037	0.9
111.00899	1.4
115.00365	2.5
115.92073	30.2
116.92210	1.1
116.92870	26.3
117.92885	1.7
117.93622	6.1
125.94147	1.0
127.95732	9.2
132.03021	1.5
133.01408	6.5
142.94423	4.7
145.96767	2.9
155.95190	6.6
169.06065	1.2
171.94670	5.5
172.01048	1.1
173.92618	3.4
184.85577	0.9
191.01968	1.1
199.94185	6.5
202.98750	1.0
215.93680	2.6
227.99797	1.3
287.92102	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	288.0766
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
50.76619	0.5
52.29656	0.4
59.01377	9.8
68.35844	0.4
69.98723	0.7
72.99285	0.5
74.02488	0.6
78.95921	0.8
82.06644	0.5
88.04037	1.5
90.97135	0.8
102.71437	0.5
106.01762	0.4
115.23421	0.4
117.00426	0.6
117.01932	1.0
118.00597	0.4
127.30530	0.5
130.08734	100.0
131.09087	2.4
132.98215	1.4
141.98259	0.8
142.96640	1.6
155.64244	0.5
156.91335	0.8
157.00003	0.6
160.97704	1.4
174.99292	1.0
184.97650	3.3
187.98708	1.1
202.98775	2.9
227.97688	0.6
228.07234	1.1
244.05031	3.7
244.12888	0.8
244.75699	0.5
246.06549	4.9
288.07648	64.1
289.07925	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	288.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.0
59.61795	1.6
60.01696	2.0
61.98828	100.0
65.52197	1.3
70.66552	2.2
72.20229	1.8
81.26407	1.3
82.99410	1.5
84.49987	1.6
93.31014	1.7
140.88113	1.8
143.78903	1.6
146.29398	1.6
172.36328	1.6
184.97800	2.0
202.98763	1.8
255.78435	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.56451	0.3
52.83394	0.3
59.01373	0.5
61.98820	1.0
62.33723	0.3
70.76123	0.5
81.03460	1.2
89.05430	0.3
91.37519	0.3
92.05085	0.5
93.03452	1.5
95.63111	0.3
107.03783	0.6
108.04543	4.2
109.02942	4.1
121.02994	0.3
124.01652	0.5
129.76297	0.4
134.02477	35.1
135.03302	8.6
136.04039	37.5
137.02477	1.7
137.04369	1.2
148.04013	0.8
149.04851	1.6
176.03529	3.8
177.04228	0.8
190.05006	0.6
204.06662	0.4
245.15366	0.3
288.16037	100.0
289.16379	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	288.9482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.5
69.42430	1.0
83.05000	0.3
104.02654	0.8
105.03470	0.3
109.02928	0.7
118.04210	0.2
121.01188	0.3
123.04588	0.3
125.02425	0.5
137.00677	1.0
148.01657	2.1
149.02419	2.2
163.99237	0.2
165.00145	9.3
166.00423	0.3
171.06595	0.4
171.10248	0.5
176.01140	24.4
177.01556	1.0
180.99628	0.2
184.88899	0.2
187.51231	0.2
202.38326	0.2
208.99120	100.0
209.99426	3.5
214.10956	0.2
217.53915	0.2
245.08206	0.4
259.10901	0.4
288.94791	5.2
289.07153	1.1
289.12775	0.7
289.16550	1.0
289.95230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90882	1.0
59.01381	5.7
70.77433	1.3
71.01377	1.4
74.02470	2.4
77.29867	0.9
82.02963	1.5
84.81728	0.9
87.00862	9.2
88.04021	1.7
90.97128	1.4
96.96002	1.2
109.77512	1.0
110.02463	5.7
111.01997	3.5
115.00382	2.2
115.08785	1.0
123.67387	0.9
128.03542	1.1
130.08725	19.4
131.08296	1.7
131.09076	7.3
132.03023	1.5
132.98177	3.3
138.22372	1.2
142.96622	62.0
145.01411	1.1
148.04347	5.0
152.03494	2.1
157.95308	4.7
160.96396	1.7
160.97681	19.4
173.01187	1.3
173.10446	1.8
174.99243	19.5
175.96439	2.0
184.97667	100.0
185.97990	2.1
198.99153	5.1
200.05602	3.3
201.00780	3.7
202.98735	96.6
226.98700	5.4
243.06155	12.2
244.12920	1.2
244.99777	8.7
270.87976	0.9
270.97641	1.4
271.79565	0.9
288.07651	6.4
288.98785	1.5
289.08005	8.8
290.05374	4.5
308.77023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56680	0.6
55.21579	0.6
55.81987	0.6
57.03451	4.2
62.87508	0.6
65.28210	0.7
69.03465	1.3
70.95052	0.8
80.02658	1.0
80.39574	0.8
81.03448	5.1
83.01381	5.5
93.03463	2.3
95.01379	1.4
95.05035	5.2
97.02950	11.0
99.04479	0.7
101.70977	0.6
105.03462	0.9
107.05035	1.0
108.02170	1.6
109.02953	40.2
110.03305	0.6
117.03449	0.8
121.02955	6.0
122.03744	2.1
123.04532	28.6
125.01497	1.1
125.02447	24.0
126.02721	1.0
135.04538	3.7
137.02448	14.2
138.03214	2.0
139.04004	6.5
143.31450	0.6
145.02945	1.8
146.03767	2.0
147.04526	1.2
149.02460	7.0
150.03174	2.5
151.04021	14.4
157.06589	0.9
159.03380	0.7
159.04474	3.6
159.08420	0.6
160.05299	2.7
161.02493	1.7
161.06094	7.1
162.03256	2.0
163.04004	2.3
164.01158	4.9
165.01962	7.9
166.02701	1.2
167.03494	2.0
173.06087	1.6
175.04016	3.4
175.07657	2.6
177.05653	1.0
179.03513	8.5
185.06102	2.0
187.04005	7.6
188.04767	5.9
199.07639	0.8
201.05568	1.1
202.06358	3.0
203.07130	18.8
205.05048	12.5
212.04886	0.8
217.08620	1.0
221.08174	7.1
227.07086	3.0
230.05774	0.9
231.03012	0.7
245.08188	31.0
246.08508	1.4
247.06017	1.5
271.06113	1.4
289.07187	100.0
290.07614	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	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03450	4.6
59.01380	1.5
63.37336	0.7
63.87974	0.7
64.85955	0.7
66.73392	0.7
69.34203	4.1
71.01332	0.8
80.02676	1.0
81.03445	5.8
83.01381	4.2
86.86068	0.8
93.03443	2.5
95.01385	1.0
95.05016	6.5
97.02957	10.7
99.25682	0.8
105.03477	0.9
108.02168	1.8
109.02955	39.5
121.02969	4.8
122.03737	2.3
123.04527	26.9
125.02451	25.1
126.02721	0.8
133.02914	1.3
134.78169	0.7
135.04570	3.9
137.02440	13.3
138.03267	1.2
139.03987	6.0
145.02997	1.3
146.03648	0.9
147.04564	0.9
149.02415	7.6
150.03198	1.5
151.03999	13.7
157.06619	1.2
159.04498	3.9
160.05298	2.1
161.02443	1.6
161.06087	6.0
162.03271	1.9
163.03940	1.3
164.01146	4.5
165.00200	1.6
165.01929	5.3
166.02710	1.2
167.03452	1.8
173.06071	2.7
175.03972	3.5
175.07634	2.9
176.01196	6.0
179.03510	9.1
187.03990	8.4
188.04799	4.2
202.06401	2.7
203.05455	0.6
203.07124	19.5
205.05046	11.6
208.99142	24.3
209.99448	1.2
221.08130	4.7
227.07144	2.7
230.05881	1.4
245.08194	29.9
247.06154	1.1
289.07181	100.0
289.16324	4.4
290.07504	5.4
290.30048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1808
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.47585	0.2
54.15055	0.2
59.01371	0.3
61.98805	0.5
70.98348	0.4
73.28345	0.2
89.13869	0.2
89.49660	0.2
171.16191	0.3
183.52113	0.3
189.87715	0.2
229.15952	3.2
257.15442	8.0
258.15735	0.5
289.18069	100.0
290.18405	7.4
294.44217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2173
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
53.84882	1.6
57.31408	1.5
61.98826	11.6
86.54014	1.9
112.71896	1.6
117.95723	1.6
133.60126	1.7
137.57384	1.5
146.96577	5.2
188.55354	1.7
289.21722	100.0
290.22012	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	290.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34423	5.9
59.01385	10.7
60.72253	5.3
61.98831	100.0
74.38620	6.1
129.98129	4.8
150.47481	6.4
152.23460	7.4
210.96297	5.7
226.56349	5.9
291.19727	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25594	0.3
56.59789	0.3
59.01355	0.4
60.17889	0.3
66.91206	0.3
87.50105	0.3
89.39388	0.3
96.96029	0.6
101.16798	0.3
116.71947	0.3
118.95705	0.3
120.99654	100.0
122.00027	0.7
139.11295	0.8
201.05405	0.7
219.06406	1.6
227.63306	0.3
264.90927	0.3
273.03790	6.6
274.82584	0.3
291.04837	1.4
291.09232	0.7
291.19730	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01373	5.2
67.95022	1.5
77.74633	1.5
83.05009	1.4
97.54187	1.2
101.00287	1.5
111.08116	2.8
117.52113	1.3
121.02972	1.7
121.10248	8.0
125.09737	6.1
165.12819	1.8
167.46999	1.2
178.71785	1.3
185.11848	11.4
195.13907	1.9
197.11768	2.9
203.36279	1.4
209.04607	1.5
234.60588	1.4
247.20662	2.8
291.04144	1.5
291.19662	100.0
292.19968	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46410	0.4
55.43752	0.5
57.03440	1.1
59.01390	3.1
62.09151	0.4
62.10954	0.5
63.46873	0.4
63.84136	0.4
66.99121	0.4
69.10513	0.8
69.10913	2.2
71.05025	2.4
73.09721	0.4
83.05012	1.1
84.73379	0.4
86.69098	0.5
89.76299	0.4
90.28290	0.5
95.05032	0.8
97.06599	1.1
109.06608	0.5
111.08155	11.8
113.09722	0.5
127.25524	0.5
135.11746	0.6
137.09729	1.1
146.46986	0.5
149.09676	0.6
150.68915	0.5
165.12859	0.9
166.63722	0.5
167.10782	1.8
172.37648	0.4
177.12849	2.1
179.10794	1.7
195.13925	7.7
247.20712	2.4
263.71594	0.4
273.18658	1.7
291.19650	100.0
292.20013	6.3
307.15884	0.5
312.65167	0.5
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
57.03450	0.9
57.12804	0.9
57.45102	0.9
72.49413	0.8
83.05025	1.0
88.63567	0.8
93.07088	1.2
97.06567	1.6
111.08157	1.3
121.10239	13.4
123.08145	1.3
125.09721	6.5
141.12865	1.0
147.08138	1.1
185.10335	1.4
185.11838	11.8
197.11867	1.3
209.11916	1.7
211.13445	1.5
223.13440	0.9
291.19659	100.0
292.19940	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79485	0.6
70.49147	0.8
99.90430	0.7
108.98044	0.8
137.12392	0.6
148.08926	1.6
150.10573	1.1
163.11298	1.3
165.11533	1.4
165.12862	18.5
166.13158	0.7
176.12047	0.9
191.14424	0.7
247.20644	10.3
248.20984	0.8
273.18643	6.2
291.19666	100.0
292.19992	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.00400	1.0
56.68627	0.9
58.85916	0.7
59.01366	3.6
59.01627	0.8
61.98827	2.5
66.91931	1.1
96.95975	1.0
115.75454	0.9
121.02930	2.1
121.53437	0.9
127.00037	1.0
127.69061	0.8
148.08975	1.0
152.23004	0.9
162.83939	1.2
165.12842	19.8
166.13132	1.1
176.12050	0.9
206.96077	0.8
247.20650	11.0
254.85576	1.7
273.18622	7.3
291.19650	100.0
292.20013	10.1
292.95547	1.1
299.49533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95369	0.5
57.03441	2.0
59.01372	4.5
61.98815	0.5
69.03439	0.5
69.12852	2.5
71.01366	0.6
77.72755	0.5
78.15600	0.5
83.05021	1.1
90.05856	0.5
91.31927	0.4
94.92515	0.5
95.05006	1.2
111.08150	13.1
111.67970	0.5
112.08536	0.8
121.02969	0.7
126.79666	0.5
137.09727	1.2
149.09683	0.5
152.42500	0.5
163.47586	0.4
166.11630	0.5
167.10773	2.8
177.12866	2.7
179.10762	1.9
195.13892	9.3
208.95204	0.5
211.14264	0.5
247.20798	2.5
273.18597	1.7
291.19656	100.0
292.20041	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	292.1303
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
59.01385	7.1
70.98887	1.2
71.01385	2.1
72.00886	3.3
73.04064	7.9
87.05639	7.3
88.04027	2.8
89.02425	2.1
89.46285	0.8
91.05517	7.9
97.04066	3.3
99.05643	1.9
101.02456	1.3
101.07154	1.3
113.02461	1.0
126.06739	14.4
127.05125	8.4
129.10464	1.0
130.08760	2.0
144.07787	100.0
145.08162	1.5
147.04529	14.9
164.07161	38.4
165.07520	1.8
165.23997	0.8
167.26091	0.9
177.10306	2.9
178.45058	0.9
182.57698	0.9
182.67241	0.9
184.32956	0.8
187.10861	1.0
248.14088	4.6
292.13028	95.9
293.12210	5.4
293.15326	3.7
313.65005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10863	1.8
57.03456	3.5
58.00579	2.1
59.01373	41.3
68.99566	49.8
69.03429	3.1
69.16916	10.9
71.01379	21.7
71.02492	1.9
72.99296	11.8
73.02940	5.6
74.02461	1.9
75.00867	17.3
78.95905	17.1
82.59023	1.8
83.01392	3.7
85.02939	8.7
87.00879	20.3
89.02442	17.2
96.96970	15.2
99.00887	13.4
101.00475	4.1
101.02431	12.4
103.00368	3.7
105.01942	23.6
110.54501	1.9
110.98542	2.3
111.00846	5.7
112.98687	100.0
113.02435	13.1
113.07166	1.8
115.00385	14.7
117.00406	2.3
119.03497	19.5
126.98917	4.9
127.00365	4.2
128.03494	2.6
129.01981	11.1
130.99864	32.0
131.01543	5.7
131.03496	5.2
132.98112	2.4
133.01433	2.5
135.02950	3.0
141.00427	3.4
142.99866	2.5
144.99924	8.9
145.01373	1.9
147.02916	2.2
149.04546	42.7
156.99951	3.0
161.04581	2.2
161.33684	2.0
164.03618	1.9
164.07092	3.6
165.04019	5.9
168.99951	3.1
173.00941	5.2
176.07011	2.0
179.05605	2.9
180.06604	5.4
187.00995	19.5
194.93756	2.5
203.03694	4.1
219.50958	1.9
233.01537	29.4
261.74939	1.8
268.73309	2.0
275.10422	2.6
292.91434	2.0
293.02896	3.0
293.06903	2.8
293.11938	7.3
293.15015	3.6
293.20978	2.3
294.10916	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83280	0.7
55.01863	0.9
57.03443	0.9
58.00584	0.8
59.01379	49.4
61.45415	0.6
68.99821	0.8
69.64275	2.0
71.01379	20.6
73.02935	1.0
73.04047	0.9
79.88967	0.5
83.01386	1.6
85.02932	4.5
85.06587	11.2
87.00847	1.1
89.02444	22.1
95.01371	1.2
101.02444	14.7
107.05029	3.0
113.02452	7.5
113.06093	10.8
115.07661	1.8
116.98055	0.5
119.03515	9.3
127.07625	1.1
130.08746	6.9
131.07140	43.1
132.07455	1.0
141.10313	2.3
143.03549	0.8
148.00415	0.7
161.04556	0.8
165.42525	0.5
173.08162	1.4
179.05606	1.4
179.25868	0.6
187.10878	1.6
273.40134	0.7
293.12369	100.0
293.15170	14.6
294.12735	5.9
294.15558	1.2
296.83835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1507
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
57.07781	0.6
59.01375	12.8
67.66538	0.6
69.37917	2.4
71.01373	5.3
73.04061	2.2
83.01411	0.7
85.02950	1.1
85.06590	2.9
89.02444	5.2
93.03463	0.8
98.22647	1.2
101.02432	3.9
107.05030	17.1
113.02441	2.1
113.06077	1.9
119.03490	2.2
119.05022	1.8
130.08736	44.4
131.07149	13.1
131.09108	0.9
134.06116	2.1
141.10347	12.4
143.11876	2.4
151.59267	0.6
173.08167	0.8
187.10843	7.9
210.80460	0.7
220.48312	0.7
232.13438	3.7
249.16124	1.7
293.12317	18.8
293.15115	100.0
294.12643	1.0
294.15445	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	293.1758
Annotation	Embelin
Peak:m/z	Relative Intensity
55.82972	0.4
59.01375	1.0
61.28216	0.5
61.98822	3.7
65.12598	0.4
65.92185	0.4
69.56475	2.1
71.01367	0.6
79.95728	0.6
92.92790	2.1
94.92508	0.9
95.01365	0.8
96.02163	5.1
96.96007	23.0
111.00876	1.3
116.92889	1.0
119.94685	2.1
123.00861	2.7
124.01672	8.7
130.34486	0.4
151.00403	0.6
152.01151	8.6
155.04219	0.5
165.01961	1.4
166.02704	2.0
173.53256	0.5
176.90160	0.6
184.00140	1.1
190.37228	0.4
192.11755	0.6
193.15936	1.0
195.17635	0.5
220.14656	3.2
221.15433	6.4
222.15857	0.5
236.10521	4.9
240.30193	0.4
265.18073	6.3
293.17642	100.0
294.17963	6.1
305.36246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.23346	0.7
54.04554	0.7
55.36537	0.8
59.01379	28.2
69.88695	0.6
70.47887	1.3
71.01384	7.9
81.22464	0.6
105.37080	0.7
148.05321	1.9
149.00983	1.8
164.08487	1.7
177.09213	3.9
192.11597	7.2
205.12355	5.4
211.70749	0.7
217.07195	3.1
218.09427	2.0
220.14691	48.8
221.15465	100.0
222.15842	4.6
233.10352	8.7
234.10599	1.0
236.10542	69.9
237.10971	4.4
293.17603	9.9
294.17847	0.8
314.57397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.0
61.98815	4.7
70.76538	2.0
70.78815	1.5
71.01379	1.6
82.95879	1.2
92.92757	1.9
115.98748	1.4
121.10230	39.6
122.10547	1.9
125.09740	1.9
171.10266	78.1
172.10616	3.0
183.13777	1.8
185.11816	4.7
191.10686	1.3
193.15933	1.3
210.91359	1.4
220.14703	3.0
221.15601	6.5
231.21150	6.7
236.10555	3.6
275.20151	100.0
276.20520	8.9
293.21210	71.0
293.82095	1.4
294.21484	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89815	0.9
59.01371	5.4
61.98825	1.0
62.68960	1.1
70.66209	1.3
71.01357	2.3
83.05039	1.9
83.13319	1.0
88.56048	0.9
95.05022	2.4
96.95973	1.2
106.87988	1.0
111.08136	1.5
113.09740	2.1
118.96720	1.0
135.11815	25.6
136.08931	3.5
136.12128	1.1
139.07661	1.0
153.73196	0.9
157.08702	67.2
158.09016	2.0
159.87842	1.0
177.09216	2.8
192.11536	3.5
193.12241	1.1
193.15926	6.5
195.13852	4.2
209.15488	5.7
220.14706	8.4
221.15434	19.6
222.15800	1.1
231.21136	4.3
233.15398	1.9
236.10503	13.4
249.18597	18.4
250.18874	1.7
253.71425	0.9
275.20157	71.5
276.20441	4.5
293.17612	17.2
293.21170	100.0
294.18222	1.9
294.21497	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
55.37862	1.0
59.01358	1.3
61.98821	1.4
69.87652	2.4
71.01361	2.0
80.23208	1.0
96.96008	2.1
108.30759	1.0
113.09683	1.8
120.22287	1.1
123.08175	1.2
123.42192	1.0
125.09715	1.1
135.67041	1.0
136.08891	1.2
139.11272	3.1
142.24773	1.1
153.12794	2.1
177.09207	1.7
191.18036	2.0
192.11488	1.4
193.15942	1.6
198.03185	1.1
205.12323	1.2
220.14676	11.7
221.15463	26.1
222.15851	1.3
236.10542	18.3
247.20625	2.0
275.02905	1.1
293.17682	12.2
293.21176	100.0
294.18158	1.7
294.21420	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57922	0.8
59.01378	0.9
70.14706	1.3
70.15025	1.6
77.43372	0.8
88.86652	0.8
91.06017	1.0
97.87155	0.8
98.44343	0.8
111.32695	0.8
120.24188	1.0
130.08130	0.8
179.14418	1.4
195.13899	12.9
196.14604	2.9
205.12318	1.7
213.20088	1.1
221.15199	1.1
223.13405	9.7
224.14076	1.4
256.13168	5.1
275.20044	6.7
293.21222	100.0
294.21512	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25863	0.5
50.87658	0.5
52.10348	0.5
57.03450	4.9
59.01361	2.2
62.18066	0.5
71.05515	0.7
97.06577	0.9
99.43159	0.5
108.19653	0.5
109.06593	0.8
113.09725	17.9
121.23474	0.5
135.11833	0.7
139.11285	1.9
149.09749	0.8
167.10788	2.1
177.12932	1.3
179.10760	1.8
195.13873	3.6
202.25410	0.5
237.61461	0.5
249.22198	2.4
262.44815	0.6
275.19968	0.6
276.46887	0.6
293.21219	100.0
294.21552	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
69.16894	2.2
85.84367	0.4
97.06559	1.1
123.08165	0.6
124.45613	0.5
125.09708	4.5
132.16829	0.4
141.12871	1.0
149.09685	1.8
185.11836	9.4
197.11800	1.9
214.80875	0.4
217.01669	0.5
221.15390	0.9
249.22263	0.9
257.86618	0.5
293.21207	100.0
294.21521	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58664	0.4
66.65324	0.5
76.29998	0.4
81.03441	0.9
134.22173	0.5
149.09708	0.5
180.28510	0.4
181.15904	0.5
191.14510	0.6
193.15999	0.4
208.97784	0.4
221.15474	0.8
225.14973	1.5
235.58206	0.4
241.16219	0.4
249.22232	1.4
254.22073	0.4
257.92188	0.4
275.20224	0.8
293.21207	100.0
294.21524	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54828	4.1
57.25030	4.6
59.01376	9.6
61.98824	30.8
70.15005	8.3
71.01357	4.8
80.11170	4.0
84.68492	4.3
91.49847	4.9
92.92769	8.3
96.35064	3.9
96.95998	5.7
119.94712	6.2
121.02958	5.4
129.32191	4.8
152.91707	7.6
153.86919	4.2
156.93892	5.4
157.80833	4.9
192.11531	10.0
193.15973	5.1
194.92677	8.8
197.11807	34.1
213.91145	5.1
220.14615	16.6
221.15463	46.1
236.10536	28.9
237.10504	4.1
242.26816	4.2
257.90317	5.0
267.04401	4.8
275.20212	30.2
287.93655	4.9
293.17651	15.2
293.21191	100.0
294.21445	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28595	0.9
57.03430	1.1
59.01401	0.8
69.18084	5.7
96.96005	1.7
97.06586	1.2
121.71991	0.8
125.09721	4.2
141.12839	1.3
149.09695	2.4
185.11813	7.8
192.11537	1.5
197.11858	2.6
214.51088	0.8
220.14706	6.6
221.15419	12.8
236.10526	9.6
275.20108	1.5
277.57562	0.8
293.17773	8.2
293.21198	100.0
294.18314	1.3
294.21466	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	294.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.5
59.01378	73.2
59.65238	8.8
63.11743	8.4
64.21931	9.1
69.78121	10.6
69.78457	22.7
71.01402	63.5
73.02926	11.4
73.04063	34.8
74.02480	70.0
78.95889	10.2
85.02925	14.7
85.04066	9.6
87.05637	23.0
89.02450	35.9
98.22599	12.1
101.02444	39.6
113.02470	19.8
113.03576	16.1
119.03515	11.8
119.05039	32.1
130.06238	23.1
134.06151	11.5
144.07825	10.3
159.02977	12.5
161.04550	31.5
163.04002	14.6
176.07133	24.3
180.06639	47.6
188.01100	11.2
188.06677	10.2
212.90712	7.3
219.07724	17.9
231.77159	8.7
246.04898	10.0
250.11916	12.7
251.11298	16.3
258.18271	9.1
277.08099	12.7
294.10837	100.0
295.10498	18.9
295.13928	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01688	0.8
53.67377	0.8
59.01377	17.3
71.34074	0.8
86.34213	0.8
99.92585	2.4
105.04919	0.7
120.34868	0.8
131.34274	0.9
164.75514	0.8
172.62299	0.9
183.13889	15.9
183.15317	1.5
195.13882	13.0
213.14964	100.0
214.15292	4.8
223.13184	2.2
235.13138	2.8
295.15384	11.8
295.18903	1.6
295.22321	1.2
296.06998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.95329	0.2
57.03434	0.9
58.16031	0.3
58.22499	0.3
61.06885	0.2
63.53398	0.2
70.84731	0.3
70.93081	0.5
80.58347	0.3
92.49922	0.3
94.01201	0.3
95.69321	0.2
96.18235	0.2
111.08165	0.4
113.09711	2.2
119.01397	0.3
124.55588	0.3
127.11269	0.8
152.21622	0.3
165.12796	1.4
169.12241	0.4
179.14391	0.7
181.12344	0.5
195.13808	0.4
251.23796	0.8
277.21857	0.4
295.22766	100.0
296.23093	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.02934	0.8
59.01368	1.1
70.99024	1.4
98.22314	1.1
98.51264	0.8
100.26308	0.9
100.40016	0.9
113.09709	3.2
131.06567	0.9
145.44063	1.0
179.14404	1.4
195.13881	18.0
239.80190	0.9
277.21732	17.5
278.22156	1.6
295.22778	100.0
296.23083	7.2
312.53690	1.0
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	13(S)-HODE
Peak:m/z	Relative Intensity
56.91549	0.7
59.01359	0.9
64.50731	0.6
71.45483	0.6
73.14635	0.6
84.00459	0.7
98.21885	2.2
107.68430	0.7
137.12541	0.7
141.12875	1.8
169.12315	3.1
197.11769	1.8
215.23865	0.7
221.24989	0.6
264.04514	0.8
277.21646	8.2
278.22134	0.9
288.30136	0.6
295.22769	100.0
296.23074	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.66042	0.8
56.75212	0.9
59.01371	1.6
60.85165	0.9
69.03435	0.9
70.98994	1.2
94.31636	0.9
98.22224	1.1
104.78902	1.1
125.09740	1.2
158.67741	1.0
162.16357	0.8
171.10291	34.3
195.13884	1.8
202.58618	1.1
277.21741	43.0
278.21994	3.2
295.22766	100.0
296.23074	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03434	1.4
59.01373	1.6
69.28522	4.5
103.85565	0.9
125.09743	0.9
131.14285	0.8
131.15283	0.7
155.14400	2.9
171.10265	26.5
195.13905	2.9
251.23846	1.8
277.21701	36.0
278.22076	2.7
295.22748	100.0
296.23056	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	295.2277
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.03445	1.0
59.01376	2.7
69.33939	1.0
70.96414	1.3
97.50612	1.0
113.09690	1.8
122.25861	1.1
139.07605	1.0
146.94481	1.0
157.08699	74.8
158.09044	2.6
162.45381	1.0
201.86646	1.2
202.64497	1.0
263.54013	1.2
277.21738	59.2
278.22009	2.8
295.22781	100.0
296.23206	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
70.96813	1.0
70.97175	0.8
80.57866	0.7
90.05192	0.8
99.80242	0.7
127.11313	1.0
141.12860	8.6
147.22137	0.8
155.14392	3.7
249.22241	8.7
250.22581	0.7
251.42239	0.6
277.21609	0.8
295.22766	100.0
296.23123	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03436	1.7
59.01363	1.7
61.98801	0.7
71.07249	0.6
71.95563	0.6
89.03383	0.6
99.08173	0.8
107.42046	0.7
111.08167	0.6
113.09719	1.7
125.09708	1.6
140.15385	0.6
141.12857	3.1
154.30101	0.6
180.63452	0.5
183.13896	0.9
185.11752	0.6
195.13892	11.4
196.14281	1.0
231.68704	0.6
277.21725	10.3
295.22766	100.0
296.23083	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	296.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17752	1.6
59.01379	5.6
61.98833	2.2
68.93811	1.5
69.13306	10.2
71.01376	2.7
79.59933	1.4
82.29930	1.4
83.05017	1.6
96.37938	1.4
112.38074	1.5
207.42201	1.4
213.53326	1.5
222.18626	1.5
283.94708	1.7
296.22314	100.0
297.22528	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86125	0.6
59.01378	7.0
61.14310	0.4
70.47370	1.0
71.01370	2.9
72.99300	2.9
73.02948	1.1
75.00869	3.8
85.02935	0.7
89.02448	2.3
99.00858	1.3
101.02448	1.1
105.01932	100.0
106.02281	1.0
111.00823	0.8
112.98788	2.2
113.02432	0.9
117.01937	2.2
119.03497	1.0
120.56705	0.4
121.29199	0.5
129.01944	0.7
135.04538	0.8
135.06602	0.8
142.99878	1.5
143.03482	0.4
161.04543	0.6
173.00949	1.1
268.16235	0.5
275.44788	0.5
297.11914	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	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67365	0.8
59.01370	1.1
61.98820	3.3
71.15089	1.0
74.99071	4.0
89.04277	6.9
91.48326	0.8
93.00142	1.4
99.68224	0.8
105.06855	0.7
121.06593	25.9
149.00948	46.6
163.11285	23.3
183.01221	3.2
208.97597	1.3
223.02744	5.0
225.00760	1.0
264.98441	23.4
265.98386	1.5
281.01437	4.5
282.99533	3.3
297.04706	100.0
297.15302	7.6
297.18604	24.1
297.24155	8.7
298.04736	9.2
298.18967	0.8
299.02579	10.9
300.02759	1.4
315.05817	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	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85919	0.4
56.18744	0.4
59.01368	1.2
61.98820	1.1
69.40741	2.2
74.99068	4.5
89.04276	6.7
93.00124	2.1
107.01303	0.5
149.00952	43.9
150.00992	1.6
150.98943	0.5
183.01205	1.6
206.99655	1.2
208.97530	1.1
220.10478	0.5
223.02823	4.5
225.00653	1.0
250.22499	0.6
264.98438	24.0
265.98526	2.0
281.01596	6.0
282.99631	2.8
296.23129	7.1
297.04697	100.0
297.15195	5.8
297.24277	5.7
298.04749	9.9
298.15628	0.5
299.02588	8.4
300.02762	1.2
301.00589	1.2
315.05716	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	297.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50558	2.4
59.01381	40.3
59.65853	2.5
69.88982	6.1
69.89310	2.3
71.01369	13.0
72.99279	2.9
73.02937	29.8
74.02480	5.4
75.00863	7.5
78.27197	3.3
78.95893	6.6
80.24287	2.7
89.02451	17.0
99.00875	5.9
101.02438	4.0
105.01937	70.5
105.02644	3.7
113.02419	5.2
113.11867	2.7
116.07168	5.9
117.01936	100.0
117.07520	3.2
118.05107	27.2
119.03490	5.8
126.98899	3.5
173.03043	8.7
179.05573	6.3
198.99400	2.7
199.00949	15.3
237.09827	7.9
238.06871	4.5
270.99921	2.7
297.08182	2.7
297.11737	5.0
314.35767	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01878	0.9
57.03450	0.8
58.00599	0.9
59.01376	100.0
60.01712	0.8
64.89091	0.6
67.03898	0.7
70.94676	0.9
71.01379	26.4
73.02578	0.8
73.02935	4.7
83.01394	2.0
85.02952	8.3
87.00912	1.2
89.02436	27.1
95.01407	1.6
97.02966	0.7
99.00893	0.9
101.02444	18.1
105.01949	2.2
113.02441	11.0
119.03501	10.9
131.03534	1.9
135.06619	6.7
135.07439	0.7
143.03532	2.2
159.02953	1.2
161.04533	8.8
161.05615	0.7
179.05589	7.1
186.95544	0.7
202.09271	0.7
237.09773	14.2
275.65268	0.7
297.11890	17.6
297.15167	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	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43621	1.7
53.14956	1.7
53.46271	1.5
56.03285	1.7
57.03409	1.5
59.01359	4.4
60.45877	1.4
61.58883	1.4
65.52015	1.9
69.22963	4.0
69.23354	3.5
71.01384	9.6
72.02165	31.0
84.99792	1.6
89.02461	1.4
98.03745	2.5
133.60709	1.6
139.79639	1.6
155.10802	9.2
183.01196	6.6
196.24257	1.5
203.02013	1.5
209.19090	2.2
218.61644	1.7
225.18565	2.3
235.20642	31.4
236.21078	3.2
241.29468	1.6
246.97035	1.7
253.21719	100.0
254.19551	1.7
254.22058	5.6
279.23358	10.0
283.34784	1.5
297.15332	20.0
297.20917	4.3
297.24323	83.1
298.24646	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	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
61.52477	1.4
69.03445	1.6
70.99415	1.6
71.01383	8.2
72.02164	19.0
73.02966	1.3
88.72456	1.4
98.22652	4.5
111.44078	1.3
123.93061	1.4
131.85849	1.7
155.10773	12.3
171.63774	1.4
183.01212	7.7
192.18544	1.4
209.19090	2.1
225.18584	2.6
235.20656	23.6
253.21721	74.1
254.22093	6.0
279.23285	11.6
297.15363	12.2
297.20880	4.6
297.24326	100.0
298.24661	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	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32849	0.4
59.01361	0.7
63.83584	0.4
66.95379	0.4
69.83072	1.2
98.22568	0.6
115.82546	0.4
125.09757	0.6
127.11293	1.8
128.56381	0.4
144.31819	0.4
153.12836	0.4
161.88599	0.4
170.22989	0.4
171.10263	10.0
183.01213	1.1
193.17470	0.3
216.99080	0.4
225.18607	1.4
235.20659	5.0
253.21666	0.8
261.22186	0.7
279.23297	11.9
280.23621	0.9
295.22726	0.6
297.15387	3.5
297.24329	100.0
298.15933	0.6
298.24677	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	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.04675	0.6
58.29094	0.6
59.01372	1.1
59.94120	0.5
69.14752	3.3
94.13555	0.5
95.72692	0.5
98.12474	0.5
98.21848	0.8
100.37866	0.5
113.60107	0.5
114.28758	0.5
137.21179	0.5
183.01181	6.6
184.02068	1.0
199.95325	0.5
211.16814	0.5
215.95963	0.6
250.29942	0.5
251.23846	0.7
279.19171	0.8
279.23196	1.1
295.22876	0.6
297.15317	15.3
297.24323	100.0
298.15512	1.6
298.24686	8.8
311.83420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.38999	0.5
59.01382	1.3
62.59186	0.5
65.14531	0.5
65.78644	0.5
70.62865	0.6
105.22331	0.5
141.12857	2.1
149.96503	0.5
155.10793	15.1
161.03937	0.6
162.89398	0.5
172.81538	0.6
183.01294	0.9
202.49147	0.5
225.18633	0.9
235.20631	3.1
275.60831	0.5
279.23303	13.7
280.23697	0.7
281.47095	0.5
295.22552	0.8
297.24347	100.0
298.24661	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	298.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13138	0.3
59.01376	3.3
66.03505	0.8
69.39756	1.3
71.41064	0.3
73.02954	0.3
74.02459	0.4
82.06628	2.8
87.05644	1.2
88.04034	1.0
92.05075	0.5
94.63053	0.3
96.00916	0.7
97.04078	6.7
98.22617	0.6
108.04559	5.9
109.71288	0.4
113.07186	0.5
114.05610	100.0
115.05969	1.3
127.05119	0.4
130.08746	2.2
136.04034	3.3
139.08719	0.4
145.06308	0.4
148.04890	0.3
153.10339	6.6
155.11902	6.5
156.12289	0.4
157.13487	0.7
163.00424	0.9
163.77773	0.3
166.08757	1.1
167.01686	0.5
174.99272	0.9
183.11397	18.8
184.10846	0.7
200.14009	0.5
217.00310	2.6
227.03462	0.9
238.14522	0.4
254.08984	0.3
254.18750	6.2
255.02975	1.1
298.17728	23.8
299.01907	1.2
299.18002	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	298.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16185	2.2
53.67340	2.5
55.19622	2.7
59.01376	17.3
79.20409	2.3
81.03452	4.4
82.95998	2.8
83.05010	7.6
93.03511	2.5
97.06596	8.8
98.22720	5.5
125.09760	4.8
141.09209	8.6
148.59235	2.7
156.10280	6.8
161.22534	2.6
163.00415	3.4
174.99280	7.0
197.11829	11.1
211.04178	3.3
217.00287	20.8
227.03513	6.0
232.30023	2.9
238.70334	2.6
255.02948	5.7
298.08072	32.6
298.20233	100.0
299.01895	7.4
299.20715	4.2
302.88446	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	298.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25433	0.5
59.01374	9.4
69.58352	1.0
79.54955	0.6
110.53425	0.7
174.99232	2.7
211.47958	0.7
215.96111	0.8
217.00287	12.4
217.02209	0.9
220.12112	0.7
274.37115	0.7
281.97876	0.6
296.22183	0.6
298.23853	100.0
299.24194	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.84626	0.3
59.01373	2.8
63.02400	1.7
65.00324	0.9
68.95461	0.3
69.19007	2.1
73.93022	0.3
75.25352	0.3
76.71396	0.4
83.01392	1.3
107.01376	2.9
117.59376	0.4
125.02428	0.4
130.08755	0.4
132.02139	0.8
133.02966	0.9
134.03731	1.2
134.88187	0.4
149.99626	0.4
151.00391	4.0
169.01418	0.6
174.99292	0.7
183.04472	0.5
188.04739	0.4
199.03946	0.6
200.04823	0.6
211.03984	1.9
212.04762	0.4
217.00305	3.2
225.11270	0.5
227.03490	2.5
239.03418	0.4
249.97057	0.4
255.02925	1.5
256.03763	15.6
257.04120	0.5
283.02451	1.1
284.03253	100.0
285.03561	5.6
299.05591	78.2
299.18423	0.4
300.05896	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.69397	0.4
58.03003	0.7
59.01384	4.7
59.01660	0.4
63.02415	0.4
69.80790	1.6
73.88873	0.4
83.01395	0.5
87.22672	0.4
91.00977	0.4
92.53615	0.4
104.02725	0.4
105.13187	0.4
107.01426	1.2
125.02479	0.8
128.82077	0.4
130.62889	0.4
132.02213	0.9
151.00360	2.9
152.01170	0.4
170.87195	0.4
174.99283	1.5
183.04538	0.6
188.04860	0.8
199.04025	0.6
200.04839	0.6
204.84175	0.5
211.04013	0.9
217.00302	4.7
220.78172	0.4
227.03534	2.3
239.03224	0.5
255.03055	1.6
256.03763	31.2
257.04135	1.9
283.02457	0.6
284.03265	100.0
285.03598	6.6
299.05600	69.6
299.18777	0.7
300.05930	4.5
311.58295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01376	13.4
61.68324	0.4
65.03987	0.6
65.21615	0.4
69.70813	1.0
69.71184	1.4
70.80334	0.4
71.01372	1.8
72.00913	0.7
73.04077	0.5
74.51353	0.5
78.95916	1.5
85.02953	0.9
88.04037	0.7
89.02423	1.1
93.03457	91.9
94.03793	2.4
96.95998	1.6
96.96982	3.2
101.02454	1.0
113.02455	0.6
114.05630	0.7
117.00484	0.7
119.03499	0.6
130.08739	2.9
132.98134	0.6
134.04755	0.8
137.02441	100.0
138.02769	3.3
143.11989	0.6
147.04517	0.6
157.13455	0.5
164.07111	1.2
171.02631	1.2
174.99214	2.1
179.03484	1.8
187.10875	3.0
192.35922	0.5
201.02550	2.5
201.12408	1.8
217.00273	8.8
217.11931	4.7
227.00294	0.5
230.08826	2.0
239.05600	0.5
263.95859	0.6
269.09845	3.4
270.10226	0.6
299.01978	0.7
299.07565	2.9
300.01230	1.2
300.15460	0.5
300.18906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01874	1.4
59.01380	87.2
61.98826	6.7
63.41602	1.2
70.33649	2.9
71.01383	33.2
71.01783	1.7
84.77291	0.9
85.02953	7.3
87.00842	0.9
88.04047	5.5
89.02448	32.8
92.02673	2.7
93.03457	23.0
95.01388	3.8
97.44896	1.2
101.02440	17.3
108.04972	1.0
113.02456	14.2
119.03521	11.8
121.71687	1.1
136.01663	6.9
136.05272	2.1
137.02446	100.0
138.02806	3.0
138.05627	3.2
149.02475	1.2
151.04010	10.9
161.04568	1.4
174.99240	2.8
176.43787	1.1
179.03502	38.9
180.03868	1.3
191.03462	1.5
209.04559	6.0
217.00331	7.4
239.05623	16.9
299.07727	92.4
300.08029	5.7
300.19147	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	299.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.51753	1.0
60.01688	1.2
64.52856	1.1
71.01380	12.0
72.99308	2.2
73.02936	1.4
74.99400	1.1
75.87691	1.1
78.95911	4.5
83.01398	1.2
85.02979	1.6
88.04060	4.1
89.02448	11.2
93.02863	2.4
93.03454	42.9
96.96967	2.2
97.32587	1.0
98.99395	2.9
101.02438	6.7
113.02467	5.1
114.05644	2.8
114.98872	2.2
117.00446	4.4
119.03503	5.0
119.88641	1.2
126.98870	1.4
135.04527	2.0
136.01678	1.6
137.02443	75.9
138.05524	1.8
141.00441	4.5
144.99919	1.4
151.04033	2.4
155.08342	1.3
156.99919	6.0
157.03593	3.3
158.00101	1.3
159.01511	2.8
174.99234	6.8
178.96132	2.3
179.03531	12.6
201.02550	45.9
201.12453	2.3
202.02715	4.0
209.04530	1.3
212.92433	1.4
217.00264	24.1
230.09253	1.2
239.05560	5.9
256.91458	1.3
262.06210	1.1
269.09906	1.9
278.12122	1.1
298.99429	4.4
299.07629	30.5
300.08279	1.4
300.18469	2.1
302.83954	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	299.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37981	0.5
57.03449	0.8
58.00573	0.6
58.02967	1.2
59.01377	100.0
60.01719	1.3
68.64517	0.5
69.17992	2.6
71.01381	30.6
72.99297	1.1
73.02943	1.0
74.02466	5.2
75.00876	0.8
83.01402	1.5
85.02946	4.1
87.00884	1.1
88.04042	4.0
89.02441	37.9
95.01395	1.5
101.02437	16.3
102.02821	0.6
107.05019	0.6
111.44183	0.5
113.02445	10.8
114.05612	1.5
115.08795	0.6
116.07172	3.4
119.03511	15.8
119.04999	8.8
129.10390	1.2
131.03552	1.3
135.04543	0.9
137.06062	1.1
138.05605	8.2
143.03534	1.9
143.11909	2.0
149.04619	1.2
152.07184	0.6
154.46695	0.5
155.11841	0.6
157.13466	0.7
161.04555	1.8
161.09764	0.9
163.00415	1.3
164.34123	0.6
174.99260	1.0
179.05640	2.1
183.11449	0.9
195.15013	0.6
206.50325	0.5
214.15730	0.9
217.00325	3.5
225.16154	1.1
227.03453	1.2
231.03207	0.8
239.12851	0.8
255.03003	1.6
255.10387	1.0
256.20395	2.3
263.62830	0.7
299.02112	1.5
299.11279	2.9
299.14935	2.6
299.20816	0.8
300.11032	1.0
300.15680	4.5
300.19336	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	299.1135
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01859	1.4
55.70167	0.7
58.00584	1.3
59.01376	100.0
60.58066	0.7
71.01378	49.2
72.99294	1.8
73.02940	1.7
85.02959	8.4
85.32190	0.8
87.00861	1.9
89.02440	61.2
95.01389	3.4
100.48190	0.8
101.02434	25.0
107.05068	1.6
109.02971	1.1
113.02441	18.3
119.03503	28.6
119.04984	13.1
130.08727	7.7
131.03499	3.0
137.02449	1.6
137.06120	3.7
143.03525	3.8
149.04547	1.9
161.04497	2.0
167.01778	1.5
169.09811	1.0
179.05565	4.1
185.16562	1.3
217.00441	1.2
255.10236	2.9
256.20309	1.0
294.30753	0.9
299.02051	1.3
299.05588	1.6
299.11392	11.1
299.14523	1.5
300.11343	0.9
300.19135	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82184	0.3
57.03433	0.4
57.19738	0.3
58.00597	0.6
58.02976	1.1
59.01378	100.0
60.01710	0.9
64.85953	0.3
69.03481	0.6
69.30729	1.5
71.01379	12.4
72.99330	0.6
73.02925	0.5
74.02473	9.3
74.36329	0.3
75.00887	0.7
77.23547	0.3
81.76796	0.3
82.06633	0.9
83.05054	0.5
84.40393	0.3
85.02959	1.8
87.00880	0.4
88.04036	3.7
89.02443	14.8
95.01400	1.3
98.22638	0.5
99.00882	0.3
101.02438	6.7
109.02976	0.5
112.07679	0.4
113.02450	4.6
114.05621	2.0
115.03979	0.4
115.05976	1.0
115.08764	0.4
119.03515	6.6
119.05013	4.6
126.09232	0.3
129.10353	1.7
131.03528	0.7
135.00893	0.5
137.02487	0.3
137.06091	0.8
138.05617	6.5
138.06601	0.4
139.08765	0.6
143.03560	0.9
143.11902	4.2
149.04562	0.6
152.07199	0.5
157.13524	0.6
161.04573	0.5
161.09821	0.5
163.00432	0.9
174.99333	0.8
175.11360	0.5
179.05637	1.0
183.04530	0.4
195.14993	0.5
197.16656	0.6
201.12485	0.7
211.04010	0.3
214.15738	0.8
217.00253	3.5
221.11864	0.7
224.11295	0.4
225.16037	1.9
227.03609	1.0
239.12924	0.6
255.03107	1.4
255.10179	0.6
255.12631	0.6
256.20325	2.4
263.14178	0.7
271.02451	0.4
299.02115	1.3
299.11392	1.5
299.15005	1.7
299.18018	0.6
299.20944	0.7
300.11145	0.9
300.15793	3.1
300.19415	9.1
300.22568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.39444	0.9
52.60277	1.0
55.25699	0.9
56.87454	0.9
59.01379	6.5
62.62056	0.8
66.43373	0.8
67.81826	0.9
69.49877	3.4
87.04501	4.4
113.64584	1.0
141.12846	2.9
161.58217	0.9
174.99184	2.1
181.40811	0.9
191.40462	0.9
217.00281	9.3
239.64999	1.0
253.25356	1.6
255.23114	0.9
281.24960	2.1
297.24283	1.6
299.20230	4.4
299.25903	100.0
300.26236	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.26602	0.4
54.16640	0.4
55.01859	0.6
58.33556	0.4
75.46812	0.3
78.02763	0.4
79.71535	0.4
79.88148	0.5
85.91167	0.4
138.19136	0.4
225.22206	1.0
235.86981	0.4
249.22235	1.2
251.23833	3.8
252.23976	0.7
253.25354	72.3
254.25696	5.4
281.24823	1.9
299.25903	100.0
300.26254	7.0
312.75565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
61.98810	0.4
68.01408	0.5
69.33266	1.2
71.01386	0.6
74.02476	1.9
77.99191	0.3
88.04046	0.5
101.92664	0.3
122.02443	0.3
123.03263	9.9
127.05157	1.2
129.10339	1.4
137.04803	0.8
138.05605	100.0
139.05940	2.3
143.11916	1.1
145.06226	0.7
152.07166	0.7
165.04333	0.9
167.05827	0.4
180.06674	1.7
196.14539	2.0
202.14478	0.5
214.15640	0.9
225.16162	0.5
233.05891	0.2
249.95842	0.3
256.20203	0.9
300.10941	6.7
300.15628	1.7
300.19193	2.3
301.16260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1817
Annotation	3-hydroxy-cis-5-octenoylcarnitine
Peak:m/z	Relative Intensity
51.30521	1.0
57.00464	1.0
57.82853	1.1
59.01383	9.5
67.01904	5.6
68.62730	1.1
69.70157	2.2
74.06908	1.0
79.14885	1.1
83.05022	5.8
88.13699	1.3
89.95358	1.2
94.03780	1.4
95.05019	1.6
97.06587	14.3
100.07700	3.4
102.61351	1.1
105.90576	1.2
135.08221	1.4
137.02440	3.0
138.02797	3.2
139.11319	4.4
149.39018	1.3
165.09209	3.0
167.05150	1.1
181.08698	17.9
183.10260	100.0
184.10672	4.6
207.10242	2.9
218.00638	3.5
224.10522	2.8
233.11876	1.8
264.15997	2.7
282.17096	29.7
283.17471	2.9
298.18655	1.4
300.18130	25.8
301.18613	1.6
301.21750	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	300.1928
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
52.47302	0.8
58.76596	0.6
59.01369	3.0
59.70657	0.6
66.03484	1.0
68.09334	0.6
69.43240	2.5
72.99293	0.9
78.01857	0.7
82.06622	2.0
84.08218	1.0
87.05624	10.3
90.32605	0.6
94.70129	0.7
97.04076	1.9
115.08772	11.0
116.07170	22.7
119.31096	0.7
125.07200	0.9
127.05109	0.8
130.08737	72.0
131.09062	2.4
138.05629	1.0
139.08768	4.1
140.10817	1.4
141.10313	3.8
143.11896	2.7
153.10295	1.1
155.11888	1.8
157.12241	1.2
157.13454	15.2
168.13875	1.4
169.09824	8.0
183.11363	5.2
185.16573	10.8
186.12463	0.8
186.16904	1.1
197.71661	0.7
201.12453	1.0
205.91219	0.7
213.14348	0.8
223.09631	0.8
256.20297	17.6
257.20593	0.8
300.19266	100.0
301.13083	0.9
301.19458	6.9
324.37775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
64.67091	0.6
69.64298	2.1
71.83476	0.7
72.99301	0.7
73.04067	10.5
80.05044	0.9
82.06635	1.3
83.02514	1.2
88.04045	1.4
97.06575	1.1
98.22678	0.7
99.08173	0.9
100.07686	0.8
110.69322	0.6
112.07700	0.8
114.05624	0.6
125.10841	0.8
126.09239	0.6
129.10336	5.2
130.08739	94.5
131.09073	2.3
139.08784	7.7
141.10344	7.3
143.07153	0.9
143.11902	34.8
144.12291	0.8
149.36980	0.7
169.09822	22.9
170.10136	0.9
182.15465	0.7
186.12469	1.3
187.10919	1.0
195.04503	0.9
199.13339	0.7
199.18153	23.2
200.18517	1.1
221.06078	1.3
239.07117	1.6
245.74031	0.7
256.20306	24.3
257.20724	1.8
282.07794	1.2
283.06073	1.4
300.08572	3.1
300.19284	100.0
300.21973	21.5
301.12943	1.1
301.16235	0.9
301.19290	6.3
301.22180	1.7
322.43353	0.7
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	Unknow
Peak:m/z	Relative Intensity
59.01350	5.0
64.78690	2.0
65.79453	2.2
70.15964	5.4
72.19187	2.5
73.04086	12.5
82.06612	2.4
83.02474	4.0
127.52087	2.3
130.08743	84.0
131.09081	2.5
139.08755	5.6
141.10291	6.9
143.11859	4.6
169.09824	19.1
170.07112	2.0
199.18158	34.2
218.00626	4.8
256.20245	11.8
300.19144	100.0
300.21832	11.5
301.19260	5.1
301.22174	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	300.1929
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
59.01361	3.7
73.04066	18.4
73.29053	1.5
82.06616	2.6
83.02499	5.2
94.37553	1.8
100.34641	1.6
129.10382	2.3
130.08739	91.7
131.09102	1.9
138.05562	1.9
139.08757	5.7
141.10329	5.8
142.02664	1.6
143.11867	2.9
169.09825	20.4
174.99187	1.6
182.15494	3.5
199.16428	2.9
199.18166	39.8
218.00630	3.2
243.17079	2.1
251.40948	1.8
256.20276	14.4
260.37930	1.9
300.19254	100.0
301.19211	3.6
301.22095	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	300.218
Annotation	CHEBI:84843
Peak:m/z	Relative Intensity
50.07499	1.1
54.02726	1.3
55.27486	1.2
58.87381	1.1
59.01371	7.9
60.01699	1.3
66.60512	1.4
70.91188	1.7
94.80122	1.1
95.71443	1.1
97.06571	1.7
99.08167	1.4
99.54028	1.3
121.02917	5.9
122.03293	4.9
130.08742	6.0
138.05656	1.5
143.07108	2.5
143.11923	3.2
159.04480	1.3
160.04845	1.9
181.66801	1.3
218.00711	1.5
256.20245	2.2
270.08551	3.7
272.59909	1.5
282.08508	5.3
300.09457	5.4
300.21854	100.0
301.22165	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	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06826	3.6
59.01381	100.0
70.11921	9.2
70.12265	4.5
71.01373	5.2
76.22603	4.0
79.15488	4.1
108.05674	8.8
115.02516	7.5
117.00430	4.3
123.00890	7.8
129.10341	6.2
139.56310	3.7
153.07806	12.0
154.95042	3.4
159.01486	91.3
160.01735	5.2
164.07121	9.1
171.05138	4.3
180.27377	3.9
182.19812	3.8
186.12524	13.4
189.87534	4.8
201.02591	23.2
203.02399	5.8
219.07730	5.1
234.20000	4.2
300.99393	7.0
301.02652	54.5
301.09784	5.6
301.12830	8.9
301.15985	7.9
301.21841	44.0
302.02814	7.3
302.13449	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	301.1655
Annotation	oscr#3
Peak:m/z	Relative Intensity
59.01377	0.9
71.01379	0.3
72.36365	0.1
89.02443	0.3
91.03999	1.0
97.06545	0.1
107.74343	0.1
111.08150	0.3
122.44629	0.1
165.12842	3.5
166.13188	0.2
183.13892	100.0
184.14227	4.8
187.08846	0.2
209.11813	2.5
227.12878	4.8
301.16553	12.2
302.16904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75708	1.9
59.01371	3.7
61.98821	5.2
71.42342	2.1
80.36374	2.0
90.64992	2.2
183.13885	100.0
209.11829	3.7
219.97743	2.7
227.12825	3.2
301.16522	13.9
301.21521	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	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
67.11469	2.6
70.46336	3.9
70.46660	2.8
70.80167	2.5
73.02965	3.1
84.25111	2.5
91.77032	2.3
97.37222	2.3
97.97173	2.1
98.73086	2.6
112.31458	2.4
123.00884	7.4
137.09692	4.2
142.56245	2.2
151.00409	3.9
151.11279	2.4
153.12856	2.8
177.12982	2.5
211.13406	8.2
229.05161	2.7
235.70335	2.5
241.14438	56.9
242.14812	4.7
301.21866	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.15006	0.3
51.12932	0.4
60.97501	0.5
71.07322	0.4
74.99107	0.4
98.00020	0.4
118.96291	0.9
134.99411	5.3
136.97327	1.6
141.07484	0.4
143.05342	1.4
155.24173	0.4
157.96202	0.3
159.08437	1.2
161.06390	5.3
164.85417	0.4
201.04120	0.6
203.05644	3.3
205.03485	0.8
215.05623	0.6
217.07205	81.6
218.07324	5.6
236.42886	0.4
276.13843	0.4
283.11768	0.6
285.13467	34.5
286.13681	3.2
301.16592	100.0
302.16772	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	301.2171
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
56.64521	5.5
59.01363	17.2
61.98815	22.3
64.39061	5.1
70.67216	9.9
87.60875	4.9
92.92818	10.8
101.75842	6.1
104.68858	5.4
116.92838	12.1
139.60075	4.8
203.17993	8.4
257.22720	24.2
300.99951	14.4
301.21716	100.0
315.58124	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	302.1509
Annotation	Val Trp
Peak:m/z	Relative Intensity
57.04105	0.8
58.02963	2.6
59.01370	4.0
73.04052	3.0
74.02477	10.4
79.95715	1.4
89.27772	0.8
98.08854	0.8
115.08772	20.5
116.05047	10.0
116.07182	20.3
116.09184	0.8
117.07513	1.2
124.00770	4.6
125.07117	1.2
125.82606	0.8
127.08780	4.4
129.05850	1.0
129.10345	20.9
130.06645	5.7
130.10646	0.8
142.06612	3.2
155.08318	4.3
157.07721	1.2
168.41708	0.8
173.09303	35.5
174.09653	0.9
196.14629	0.9
203.08258	3.2
258.01498	0.8
258.16101	6.1
302.07181	3.0
302.15103	100.0
303.15341	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	302.172
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
50.04435	1.1
58.02978	1.7
58.48671	0.9
59.01369	3.0
59.74904	1.0
59.96909	0.9
61.26843	1.0
61.98837	5.5
61.99093	1.0
63.99231	1.1
70.02966	1.8
71.01366	1.7
71.90984	1.1
73.04060	4.8
74.02471	84.0
75.02795	1.3
78.51041	1.1
78.95930	1.0
82.02977	2.0
82.06625	4.7
84.00889	1.3
84.47322	1.1
85.06592	1.2
87.05636	49.0
88.04037	34.6
94.50062	1.0
96.00903	1.2
96.96030	1.3
97.04068	7.0
99.04522	4.9
101.07211	2.2
109.01701	2.6
109.26085	0.9
114.05586	1.1
118.05103	3.2
119.99020	1.1
125.03587	2.7
126.09277	4.9
128.03534	1.1
129.10330	1.4
130.08742	2.0
133.94565	1.0
139.08748	2.4
139.40508	0.9
140.07211	1.8
140.10732	1.0
141.10355	2.1
143.11890	18.0
148.02724	1.1
152.07167	4.1
153.10338	10.5
155.11902	9.6
157.08577	1.3
157.13480	8.9
160.03986	3.1
162.35727	1.1
166.08682	3.7
169.09824	8.7
169.13440	2.1
173.10345	1.1
179.11887	2.6
181.12321	1.8
183.11388	22.6
186.12451	1.9
187.10721	1.4
187.51602	1.3
201.12404	7.2
204.02937	1.5
210.07704	2.3
213.12392	1.8
214.15584	28.1
215.15941	1.2
223.10811	1.5
240.13501	1.9
240.17130	2.4
258.14569	100.0
259.14807	3.7
267.09802	10.4
272.12488	1.8
284.12549	7.3
284.15668	1.7
284.18640	4.2
298.01016	1.1
302.17078	36.5
302.19751	46.7
303.17188	1.8
303.20090	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	302.1972
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
59.01370	5.0
61.98829	7.8
63.03751	1.9
65.17737	1.8
69.63811	4.1
69.64172	4.1
94.88459	2.3
99.04507	3.7
108.49149	2.1
125.06059	2.5
143.07141	8.1
182.79274	1.9
284.18793	4.7
302.19693	100.0
303.20053	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	303.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39837	0.8
72.10273	0.2
77.09669	0.2
78.96333	0.2
79.95329	0.2
79.95724	1.1
87.88074	0.2
96.96008	100.0
97.95956	0.3
98.22675	0.3
104.39297	0.2
147.14655	0.2
182.60670	0.2
303.09064	40.0
304.09375	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	303.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	1.1
91.01221	0.3
96.96010	100.0
97.95936	0.4
106.46474	0.3
106.85400	0.2
108.26696	0.3
134.83096	0.2
141.72850	0.3
207.32603	0.3
226.22853	0.2
235.88165	0.3
246.20956	0.3
249.17970	0.3
259.71722	0.2
270.30234	0.3
276.40094	0.3
279.56003	0.3
303.09076	32.4
304.09445	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63453	4.3
59.01382	56.4
63.09676	4.4
66.18878	4.3
69.45110	20.1
69.45443	5.1
71.01379	17.6
72.99315	32.4
75.00886	37.4
78.74622	4.0
79.05524	4.3
81.38931	4.8
83.05020	10.0
89.02457	20.4
97.06584	15.0
99.00877	14.8
101.02474	4.5
103.26227	3.8
108.04549	11.0
109.06576	9.5
111.08147	18.6
112.98805	25.6
117.01954	9.6
121.06590	14.3
122.06136	29.6
123.08159	13.2
124.01652	14.8
124.07697	33.1
124.98793	6.5
125.06102	11.0
135.02988	11.0
136.07669	31.5
139.07640	56.3
142.99863	100.0
144.00171	4.6
149.06088	25.6
153.05586	9.7
155.08347	5.0
155.10747	13.3
167.07135	71.7
168.06592	40.2
173.00896	32.6
174.01743	33.8
177.99200	4.9
183.06746	5.7
185.11813	27.4
191.84360	4.7
193.05038	6.5
199.09735	6.3
211.05997	23.6
213.07703	24.7
217.10825	17.6
225.07652	16.0
229.10767	9.3
259.14523	4.7
303.13757	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20277	7.1
59.01376	16.8
61.98827	17.6
94.92516	15.7
98.22773	13.4
116.92869	18.7
154.89018	8.2
156.08929	7.9
186.48248	7.8
218.86745	34.0
259.24161	11.3
303.23233	100.0
304.23172	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	303.9522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72574	1.5
59.01377	6.0
68.99592	2.8
71.01391	4.8
73.02961	1.8
75.38605	1.6
78.95897	3.0
79.28251	1.7
87.00886	2.1
87.92532	50.9
88.04060	8.3
88.93304	2.8
99.00880	1.9
101.94089	3.7
102.63518	1.7
103.92029	100.0
104.92097	2.7
104.92806	41.1
105.93588	8.6
106.94389	4.2
112.98601	3.4
113.94073	1.8
115.00379	5.8
115.37260	1.6
117.01908	3.1
117.93666	2.6
123.94637	9.7
127.92015	13.1
127.95621	9.5
128.03535	4.1
130.05109	7.8
131.08228	2.9
132.03015	4.1
133.01410	17.4
139.96710	1.5
142.99837	4.6
143.95068	1.8
145.96724	70.1
146.04535	1.6
146.93813	3.4
147.94626	6.1
155.95108	8.5
161.96205	65.3
162.96350	1.6
163.97801	8.6
171.94623	4.2
173.96268	3.5
186.02629	1.7
189.95694	11.3
199.94133	83.2
200.94341	2.7
233.18408	1.4
236.01233	1.7
259.96054	1.8
266.18454	1.8
268.97076	1.4
285.12601	2.3
303.19940	4.5
303.95221	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.2
60.01714	2.8
61.01796	0.9
61.98831	100.0
69.65878	1.2
72.68005	0.3
101.97284	0.3
116.02638	1.2
117.00439	0.7
117.02276	1.8
117.95544	0.6
117.97339	0.5
118.00609	0.6
118.02653	0.3
118.97591	0.7
119.00237	1.2
119.95238	2.2
134.97067	1.6
159.01494	3.6
159.96600	3.0
160.01630	10.4
160.96725	0.7
161.01198	11.3
161.96289	7.4
161.98950	21.5
162.01575	2.5
162.96538	4.1
162.99130	0.9
176.98154	0.8
201.02556	0.4
202.02736	2.4
203.02318	2.6
203.99977	4.6
204.02776	0.8
261.99091	0.7
304.00156	12.9
304.02884	11.2
304.99695	0.5
305.03113	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	304.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92301	2.6
53.10142	2.7
59.01373	10.9
59.51384	2.1
70.39039	3.2
70.39367	3.2
71.01375	14.2
72.99303	3.8
73.04051	3.3
74.02473	17.3
74.08733	2.3
88.04038	2.9
99.00877	30.9
104.03528	5.6
110.03577	6.2
111.00882	6.5
111.01974	12.2
112.98810	78.8
113.99124	2.5
115.00364	3.6
129.10362	3.8
130.08740	100.0
131.09074	3.9
135.03069	6.1
142.99857	38.4
143.11913	6.9
145.01381	4.1
155.11920	5.5
169.09856	4.4
173.00899	28.1
186.12531	4.5
188.09224	3.9
199.10896	3.6
200.13991	5.8
212.13997	8.0
244.04140	5.9
260.12463	10.0
263.46307	2.6
274.14047	9.4
304.15131	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	304.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
59.01386	7.9
69.21381	2.5
69.21785	4.2
71.01376	4.0
73.02948	2.0
74.99104	2.2
75.00867	2.0
79.95719	1.7
85.02948	4.4
96.96016	100.0
97.95939	3.6
98.95583	11.5
98.96450	1.7
99.00888	2.9
100.97026	2.5
101.02441	2.5
102.98572	1.2
112.98801	1.3
113.02444	2.4
114.98584	3.3
128.96512	2.0
129.01869	0.9
135.02977	4.2
142.99864	2.1
161.02394	1.6
161.04517	1.4
167.07094	1.1
173.00932	1.9
201.11324	8.6
206.99675	1.0
209.11914	5.3
282.21109	1.1
304.09418	24.4
304.20404	1.5
305.11053	8.7
305.15942	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	304.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99644	1.1
59.01377	16.1
60.30490	1.0
61.98819	8.3
71.01409	1.6
71.43340	1.1
72.00899	3.1
72.99300	1.5
73.04067	17.3
74.02468	62.3
82.06576	1.6
83.02505	3.7
86.02467	2.9
87.05614	2.5
89.02412	1.2
93.82813	1.1
103.05155	6.2
103.91991	1.7
104.03542	28.8
104.92783	1.5
105.01932	1.1
110.03588	1.9
111.01989	4.0
115.00358	1.2
116.07169	2.1
117.00420	1.5
119.00200	1.3
119.86549	1.0
124.04018	2.8
125.10825	1.8
126.09293	2.6
129.10307	2.5
130.08743	2.9
131.01991	1.3
133.01448	1.4
138.09238	1.5
139.08762	4.8
140.07158	5.4
141.10358	6.3
143.11899	30.2
145.96700	1.2
153.10298	2.8
155.11905	34.6
158.99748	2.3
159.01566	1.2
159.96747	1.2
160.01682	3.7
161.01245	4.2
161.96204	2.0
161.98901	1.3
162.01691	1.3
162.96529	1.7
165.82927	1.3
169.09839	17.3
169.13490	1.8
173.12935	3.3
174.99167	2.0
181.09851	2.9
184.97604	1.5
186.12488	2.2
187.10916	5.0
189.00502	1.2
199.10892	10.5
199.94122	2.4
200.14064	26.0
202.95061	1.5
204.02766	1.1
212.14043	30.3
217.11949	11.8
217.95703	1.2
219.50052	1.2
224.13936	1.2
230.11423	1.4
230.15068	5.1
236.95273	1.2
237.02211	1.1
242.15103	3.8
244.00089	1.3
244.13034	11.1
245.05508	2.4
256.12964	2.5
262.96286	1.3
274.14087	50.6
275.14426	1.3
286.14148	1.6
304.02695	3.9
304.15112	100.0
305.02634	1.7
305.15430	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	38.3
70.28836	1.7
111.49768	0.7
116.99034	0.8
130.09435	0.8
168.13936	100.0
169.14294	4.0
170.25603	0.9
171.37630	0.9
192.49355	0.9
212.13113	1.4
304.19156	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	304.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76687	0.3
52.62349	0.4
59.01379	0.7
68.99572	12.4
69.84203	1.2
71.01379	12.7
72.99311	3.9
74.02457	0.5
75.00888	0.5
78.95897	0.9
80.21635	0.3
89.02435	2.0
96.96968	0.8
99.00902	0.7
99.05679	0.4
99.14479	0.4
103.55222	0.4
105.01945	0.9
110.03587	0.8
111.02017	1.8
112.98565	15.9
115.00371	40.1
116.00729	1.0
128.03564	1.5
130.96666	0.6
133.01431	100.0
134.01753	2.0
143.04633	1.1
161.00954	0.5
177.48715	0.4
202.95151	1.8
244.67757	0.4
244.96156	1.5
304.06149	0.6
319.76993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89145	0.6
56.56966	0.6
58.10137	0.6
59.01356	1.0
62.43766	0.6
70.64336	1.3
71.01379	14.0
72.99301	4.3
78.95913	3.4
83.73059	0.7
87.00868	1.5
87.20431	0.7
89.02451	2.3
96.96945	0.8
105.57175	0.7
108.90163	1.6
115.00375	41.8
116.00723	0.8
132.03027	0.8
133.01431	100.0
134.01794	2.1
136.98622	1.5
154.99588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85187	0.2
57.03456	0.3
59.01370	1.6
69.63065	0.5
69.63377	0.2
71.01380	1.8
73.02937	0.6
79.95717	1.3
80.63276	0.2
83.01418	0.3
85.02953	0.9
92.81606	0.2
96.96011	100.0
97.95928	0.4
99.00908	0.4
101.02450	1.6
113.02444	0.9
161.04575	0.5
170.70538	0.2
193.79672	0.2
213.98781	0.2
284.49915	0.2
305.10645	47.3
306.11005	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01371	9.1
61.98824	3.1
64.15515	1.6
71.05022	39.1
81.03439	4.1
82.78301	1.7
95.05034	13.0
98.21897	5.5
106.04265	1.5
107.05027	2.2
109.02953	1.8
109.06596	14.1
119.04940	1.7
121.06554	5.5
123.08191	2.7
135.08160	5.2
141.01698	3.6
147.04463	2.4
147.08206	2.6
158.17175	1.6
161.06230	2.0
161.42989	1.6
163.33046	1.7
165.09227	8.6
177.12422	1.8
189.12875	12.7
205.15988	7.0
231.14026	2.4
233.11884	5.9
243.17548	9.9
249.14940	10.1
261.18649	2.6
287.16544	73.0
288.16809	6.9
305.08215	3.8
305.17581	100.0
306.17871	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	305.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.1
59.94100	2.0
69.10842	2.1
118.17609	2.3
141.01709	9.8
218.98335	2.4
257.19186	3.4
259.20651	49.0
260.21286	5.4
305.08249	5.7
305.21207	100.0
306.21466	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01374	6.1
70.31967	1.9
122.78613	1.5
158.76128	1.3
218.50772	1.3
264.96753	1.3
268.28217	1.3
295.37430	1.5
305.08185	2.1
305.24844	100.0
306.25061	14.2
328.51859	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	306.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.95143	1.0
69.43491	1.0
69.95766	3.2
74.02468	1.2
82.02976	1.1
86.02473	1.3
88.70399	1.0
98.79544	1.0
99.05652	1.3
125.46524	1.0
128.03528	4.7
139.11990	1.2
143.04590	7.2
146.04539	1.0
160.00743	1.9
168.51247	1.1
179.04663	1.6
213.33286	1.0
254.07744	1.8
272.08960	2.5
306.03174	1.4
306.07565	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	306.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	0.7
59.01380	10.1
61.98820	3.2
65.85884	0.8
71.01397	0.9
72.00907	19.3
74.02457	1.5
85.02949	0.8
85.49715	0.7
87.05628	0.7
87.92570	1.0
88.75762	0.7
89.02465	0.8
91.05540	1.4
98.14272	0.8
102.14778	0.9
103.05519	0.8
110.00993	0.6
117.00470	1.4
117.41263	0.7
120.47112	0.7
126.00470	1.8
128.03519	2.2
135.04520	2.8
143.04640	3.2
147.04520	56.3
148.04884	2.8
153.99960	1.6
164.07164	100.0
165.07458	3.0
172.01024	16.6
213.12106	0.8
217.31990	0.8
264.07288	3.0
305.15384	1.8
306.08344	61.5
306.15631	2.5
306.18344	2.3
307.04877	1.5
307.08536	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	306.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53781	17.7
54.61015	18.4
55.99469	16.6
59.01376	100.0
61.98825	52.8
71.01389	70.3
71.43498	20.8
74.74480	15.4
74.98233	19.8
78.95913	28.6
89.02441	41.2
101.02459	34.5
107.51044	15.3
111.83089	15.3
113.02433	23.3
127.04018	20.2
128.03490	22.2
135.04520	42.3
139.32607	16.4
143.04622	52.3
145.05025	29.4
148.96701	34.5
161.04636	21.9
306.03296	20.4
306.07736	30.1
306.18243	22.1
307.10266	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45826	0.5
59.01386	0.8
61.98801	0.5
62.38941	0.5
70.98796	0.7
74.72169	0.5
74.99068	5.9
89.87016	0.5
91.02197	2.6
93.00138	1.4
98.22258	0.7
107.98352	0.5
144.52794	0.5
145.51309	0.5
149.00966	2.4
159.08479	7.4
161.06409	1.2
192.98116	1.1
205.81406	0.5
206.99625	1.3
209.01288	2.1
217.07214	1.0
218.01503	0.5
223.02826	50.3
224.02855	3.5
241.03946	0.6
289.07489	1.7
291.09091	100.0
292.09177	10.2
307.12225	3.9
309.10239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75990	0.2
57.13881	0.2
59.96708	0.6
61.98800	0.5
70.96881	0.4
74.99067	6.4
77.24738	0.2
79.90045	0.2
86.89315	0.2
91.02212	2.7
93.00137	2.1
132.37941	0.2
142.02304	0.2
149.00917	2.3
156.43903	0.2
159.08463	7.7
160.08505	0.3
161.06389	2.0
192.98088	0.7
206.99651	1.6
209.01265	2.4
217.07378	0.5
223.02815	51.0
224.02856	3.9
241.03851	0.6
275.05817	0.6
289.07547	1.9
291.09079	100.0
292.09216	11.1
307.12173	3.7
308.12448	0.3
309.10172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34707	0.7
59.01377	100.0
64.27652	0.7
69.40183	2.3
69.40588	1.3
70.10255	0.7
71.01382	12.2
71.01744	1.3
72.99327	0.8
73.02922	0.8
80.22538	0.7
85.02953	3.1
87.00864	1.0
89.02436	11.1
91.12955	0.8
95.01392	1.7
96.62365	0.8
98.13634	0.7
101.02435	7.7
111.00892	0.7
113.02466	3.2
119.03510	3.5
120.99654	40.1
127.07658	3.6
128.03545	1.4
129.03831	0.9
132.03093	1.2
135.04520	0.8
143.03572	1.0
143.04532	1.3
144.85774	0.7
145.06584	2.6
145.08673	5.4
159.04469	1.5
165.01112	2.5
173.06061	1.7
180.03465	11.5
180.04984	0.8
187.03979	1.9
217.04999	1.1
220.06348	0.9
263.03604	2.1
263.07224	4.6
270.31525	0.7
289.98563	0.9
302.40009	0.8
307.08212	2.0
307.13983	48.6
308.07434	0.8
308.14297	3.5
309.57114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90945	0.5
55.01876	1.4
57.03434	0.7
58.00583	0.9
59.01380	56.9
69.70114	2.2
71.01382	22.4
72.99321	0.7
73.02952	2.0
83.01398	2.3
85.02958	6.2
87.00858	1.4
89.02438	23.8
95.01395	2.1
96.96008	0.8
99.00961	0.8
99.08160	23.7
100.08510	0.7
101.02438	15.8
113.02449	8.8
113.09769	0.7
119.03499	9.2
127.07656	6.2
129.09224	2.0
141.09236	3.0
145.08702	69.2
146.09070	1.9
161.04498	0.9
169.09801	0.7
179.05585	0.9
187.09785	2.0
189.01997	0.8
193.05046	0.6
268.68018	0.7
293.38187	0.6
307.06693	3.3
307.13977	100.0
308.14270	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.19643	0.9
59.01377	47.1
69.44003	4.5
71.01382	20.0
71.69410	0.9
73.02946	2.3
80.89162	1.0
83.01389	1.8
85.02951	3.7
87.00861	1.5
89.02450	18.4
95.01393	0.9
99.08150	21.2
100.70068	1.0
101.02446	13.5
113.02442	7.2
119.03494	5.8
127.07655	3.3
129.09219	2.6
137.29256	0.9
141.09184	2.2
145.08704	61.3
146.09055	2.4
153.59543	1.1
179.05664	1.1
187.09729	1.9
189.01950	2.1
199.12079	0.9
221.63266	1.0
287.04642	1.0
307.06424	6.8
307.13977	100.0
308.14288	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01872	4.6
57.03438	9.4
58.19464	4.1
59.01371	8.7
65.03962	62.8
69.04818	4.5
70.60487	7.4
71.05022	45.3
75.07478	4.0
81.03476	6.2
83.05072	4.9
93.03448	6.9
95.05039	4.3
97.06588	85.2
109.06535	6.3
117.07069	4.6
118.88443	4.2
119.07923	4.5
119.08646	19.6
121.05800	7.2
121.06599	93.0
123.08121	4.8
125.09729	48.4
135.08183	28.7
137.09734	10.1
148.96715	6.7
150.51505	4.4
155.65863	4.2
158.94617	4.2
163.11288	5.3
171.10214	18.1
185.11847	90.8
191.14450	8.5
209.11813	33.9
211.13411	38.7
233.15414	4.5
235.13419	94.0
245.19075	14.8
249.14983	17.5
280.91620	4.2
289.18088	100.0
290.18518	6.2
307.19095	70.5
308.19577	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
59.01366	8.8
61.98823	10.2
68.65572	6.5
70.14032	6.4
71.42358	7.6
75.50971	6.8
98.22196	10.9
123.56919	7.3
289.18094	100.0
290.18460	9.4
300.97754	7.4
307.19135	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.20230	1.2
54.38110	1.1
57.03440	2.0
59.01378	4.7
61.61720	1.1
69.03454	1.3
69.25694	2.4
69.26095	5.2
74.73788	1.2
85.69665	1.2
97.06619	1.6
99.08154	2.3
111.96931	1.2
123.04543	2.0
125.09724	2.3
127.07658	12.9
137.09715	3.4
137.23473	1.3
138.06909	1.3
151.11308	6.7
153.09225	1.7
155.10805	1.3
158.44290	1.2
163.11322	2.3
167.10799	1.9
177.09251	1.8
177.12828	2.6
179.10733	2.9
181.12332	1.3
185.11807	4.5
191.14423	6.7
195.14087	1.8
205.12309	1.5
225.11421	1.8
233.15553	1.7
235.20633	1.4
239.09157	1.5
244.76627	1.4
245.19131	20.6
246.19557	2.5
263.20236	3.1
267.12415	2.0
279.19531	2.1
289.18100	69.0
290.18372	5.5
307.19138	100.0
308.19418	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	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
50.14965	3.8
62.77863	3.0
66.39674	2.8
69.94077	7.3
83.33719	2.9
84.76385	2.8
98.22594	3.3
139.63608	2.9
164.65663	3.3
307.26410	100.0
308.26877	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	308.1867
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
52.47821	2.2
58.00579	8.1
59.01375	28.0
59.34542	2.4
69.03407	2.7
69.11567	6.7
69.11973	7.6
71.05019	34.2
72.04539	5.4
72.99290	8.4
74.50088	1.9
79.23766	1.9
85.02943	2.3
93.07092	38.1
93.55807	2.2
98.22601	5.1
100.07650	3.1
107.08643	2.6
108.08173	2.4
116.07188	25.7
116.68849	2.3
129.66002	2.2
133.06549	2.9
134.03760	5.5
134.07405	4.7
135.08122	9.3
135.11806	4.0
147.11816	2.7
153.09259	2.4
160.11266	2.6
167.94746	2.1
174.12688	2.2
189.16483	2.5
190.12439	3.3
192.13922	26.3
193.05145	2.4
210.15028	7.7
228.17574	8.3
246.18626	18.9
247.18976	2.4
308.18652	100.0
309.18958	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
60.28160	0.4
61.98828	3.9
62.08774	0.4
67.13432	0.4
71.27864	0.4
103.14694	0.4
122.93072	0.6
123.00529	3.4
124.98429	42.9
125.98545	2.9
134.96887	0.4
136.93942	0.6
138.96530	0.5
153.29535	0.4
164.96320	2.0
166.92046	4.4
166.96237	1.8
166.99477	100.0
167.99590	6.7
169.99538	0.4
176.98100	1.6
206.97385	0.7
308.93915	0.5
308.97473	0.7
309.00720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.2
70.65537	2.0
71.01392	2.1
73.02944	40.4
73.36877	1.2
74.02199	1.2
78.95898	2.3
84.92799	1.4
86.55853	1.4
89.02458	1.6
99.00880	4.9
101.02429	1.4
103.00349	2.3
109.35947	1.4
117.01941	100.0
118.02263	2.6
121.04901	1.2
128.03609	3.2
146.08237	2.0
228.92717	1.3
241.99538	1.3
309.11490	6.1
319.52515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
69.50885	4.2
71.01382	30.8
76.24670	1.0
80.51237	1.0
87.88493	1.0
88.69298	1.0
101.36311	0.9
115.00372	12.6
134.03745	99.6
135.04121	3.5
137.02431	2.0
140.89793	1.0
149.06099	4.6
175.02463	4.9
178.02725	13.3
191.53271	0.8
193.05057	100.0
194.05399	4.7
230.62285	1.0
230.92082	1.0
309.04044	1.0
309.07404	1.7
309.14249	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	309.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42779	1.0
59.01380	13.6
65.48898	1.0
69.35578	1.0
69.85328	3.0
70.77155	1.1
71.01379	3.6
75.00873	2.6
80.01237	1.2
85.02949	1.1
89.02451	1.7
92.91705	1.0
101.02452	2.0
107.03631	2.3
119.03544	1.1
119.86401	1.1
129.26918	1.1
134.04729	100.0
135.05081	2.3
146.08226	6.4
187.03856	1.3
201.67072	1.1
205.05048	2.2
205.33519	1.0
206.52652	1.1
215.09494	1.2
217.11998	1.1
266.08966	4.1
309.06219	1.4
309.11758	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	309.1123
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
51.70810	0.9
57.23709	0.9
58.02967	4.5
59.01162	0.8
59.01379	8.0
63.96241	4.2
64.97027	6.7
70.02973	1.4
70.11279	1.6
70.11603	0.9
71.01376	1.7
71.05018	20.5
78.95910	1.1
87.05642	5.1
89.02428	1.6
96.96003	13.5
96.96957	1.2
99.04525	6.7
101.02433	1.9
108.01207	1.5
109.29662	0.8
115.05151	1.5
116.07182	2.3
116.18504	0.9
129.05620	1.2
131.08282	7.2
134.04724	14.7
143.02884	1.6
146.08228	100.0
146.39114	0.9
147.08589	1.5
173.10420	3.2
188.10732	1.1
217.11905	25.4
217.44176	1.0
231.99776	2.1
243.13574	1.6
245.15096	3.4
249.02400	2.4
265.62500	1.0
309.11279	94.8
310.11591	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	309.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
69.27217	2.1
79.95285	0.5
79.95734	8.2
80.96505	0.7
85.13737	0.3
89.04708	0.3
94.98064	0.8
95.95203	2.0
96.96008	79.3
98.21861	0.8
106.81618	0.4
118.48013	0.3
122.97569	3.7
131.90703	0.3
151.03969	0.6
152.08443	1.4
204.66789	0.4
209.15472	1.6
309.17395	100.0
310.17728	6.7
330.44788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71588	0.5
59.01388	0.8
59.39935	0.6
69.16344	3.9
75.12280	0.8
79.95739	8.1
80.96529	1.1
94.98100	1.0
95.95251	1.9
96.96012	79.2
98.22628	1.0
99.00873	0.7
106.71962	0.7
110.20737	0.6
122.97594	3.6
136.18858	0.6
151.03993	0.8
152.08472	3.0
153.09225	0.6
165.12892	3.3
183.13945	1.0
189.94345	0.6
192.34966	0.7
209.15497	2.5
242.37349	0.7
265.17999	0.9
291.16037	0.8
291.19778	1.5
309.17429	100.0
309.20660	9.9
310.17703	5.4
310.20898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01357	1.3
59.36651	0.6
70.67339	1.3
71.05021	4.2
72.24203	0.7
83.04948	0.9
85.06610	1.3
95.05055	1.0
96.59429	0.6
97.06564	2.0
109.06561	1.2
111.08189	1.1
113.73400	0.8
116.42833	0.7
121.10238	1.3
127.07650	1.3
129.09190	3.1
135.11787	2.4
143.07144	2.2
149.13335	1.0
167.10672	1.1
173.08174	1.9
179.10741	1.2
179.14360	0.8
195.13884	12.6
202.66145	0.7
207.13899	0.7
223.16866	0.8
224.14160	2.2
225.14859	4.2
245.19112	1.2
251.16472	2.3
263.20114	1.3
273.18546	1.9
291.19653	15.4
292.19974	0.8
309.20706	100.0
310.21008	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.42397	0.6
59.01371	2.5
59.90977	0.6
60.17837	0.9
67.01899	0.9
69.03447	6.4
69.34018	3.1
73.02926	1.0
78.91032	0.8
79.01850	1.0
79.69519	0.7
80.96521	2.5
83.05047	2.3
85.02956	5.1
95.04998	0.9
97.02947	62.6
97.06555	0.9
98.03268	1.4
109.06641	1.2
111.08141	1.9
113.09703	0.8
119.08678	2.2
125.09718	3.0
126.62849	0.7
127.11308	0.8
135.08243	0.8
137.09723	18.2
146.95976	0.7
153.09189	1.1
155.10831	0.8
171.10268	30.0
172.10539	1.1
177.12819	1.1
185.11859	0.8
195.13884	3.7
196.14417	0.8
211.13342	2.6
219.86807	0.8
221.11853	4.2
221.15439	1.8
223.13420	1.1
239.12921	4.6
239.16402	0.8
240.13570	0.9
251.34010	0.7
273.18585	3.3
291.19635	26.4
292.19971	1.3
309.20706	100.0
310.21091	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	309.2076
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
59.01371	45.8
59.31146	34.7
61.98827	55.6
69.07861	46.7
71.44486	38.8
84.15166	34.1
152.91682	38.8
182.09102	34.9
244.08348	31.6
274.18726	35.1
309.20712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.52148	9.4
52.82442	10.8
59.01378	11.5
61.98824	21.4
70.74918	12.0
92.92829	12.3
99.00874	34.3
99.56345	12.1
104.19393	10.7
151.15100	10.0
152.91798	16.5
209.15448	17.4
233.15417	23.8
291.19598	19.0
298.14749	11.4
309.20761	100.0
327.97659	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01824	0.4
55.01870	0.6
57.03434	0.6
61.47975	0.5
71.07279	0.7
71.34552	0.4
89.74594	0.5
95.01385	1.8
97.02918	0.5
97.06590	0.5
99.00877	7.1
109.06606	0.5
111.00880	1.0
111.08181	1.4
123.00909	0.8
137.06081	0.9
151.04010	19.8
151.05232	1.0
151.07640	9.8
152.08426	54.4
153.08801	3.1
162.10487	1.0
175.07733	1.2
180.07964	1.3
184.07393	2.2
185.56583	0.5
185.58626	0.5
190.10008	3.0
192.55396	0.5
193.08702	3.2
193.12375	0.6
195.10167	0.9
195.13962	1.5
197.11838	4.0
200.04407	0.4
208.11015	4.3
209.15457	52.1
210.15761	3.1
211.09908	0.5
211.13428	0.8
219.17525	1.1
221.15565	1.3
223.13431	1.0
224.06367	0.5
247.17065	2.6
247.20619	0.5
252.10023	7.4
263.16650	0.6
265.18094	11.4
266.18454	1.2
273.18539	0.7
291.16083	3.6
291.19727	7.1
292.20047	1.0
309.17117	100.0
309.20697	12.9
310.17459	7.2
310.20850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.00572	1.2
58.87248	0.9
59.01367	2.3
69.03452	1.4
69.70778	2.3
71.01390	1.3
97.06593	1.4
109.06627	1.5
111.08160	30.7
127.07655	3.3
127.79032	1.0
131.86758	1.0
137.09737	1.0
151.11247	1.5
152.08405	1.1
153.12860	2.0
154.19392	0.9
169.12320	6.2
171.10254	2.2
181.12291	1.6
183.13873	1.5
186.92311	1.1
197.11816	100.0
198.12193	5.7
199.13387	4.6
200.97514	1.1
211.13396	12.9
225.15085	1.1
227.12933	2.2
263.20120	8.6
265.18060	3.2
273.18661	2.5
291.19632	22.3
292.19781	1.7
309.17261	2.4
309.20685	44.7
310.21054	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25130	1.0
55.72755	1.2
59.01380	1.5
60.46627	1.1
63.04510	1.2
71.59988	1.1
72.03270	1.1
110.06344	1.2
111.08142	1.9
114.09790	1.3
121.83958	1.1
125.09644	1.3
149.48930	1.1
153.12866	1.6
155.10767	1.2
163.11293	1.8
165.12857	5.2
166.99498	1.5
167.10815	1.3
172.34436	1.2
179.14392	2.8
180.45003	1.2
181.12331	3.4
193.15977	1.4
197.11847	2.5
207.13805	1.9
209.11751	1.6
223.13455	1.4
228.13797	1.3
247.20715	6.4
273.18588	2.9
291.19678	64.3
292.20053	4.0
296.90213	1.3
300.00995	1.3
309.20700	100.0
310.21078	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.1
59.01376	2.1
69.03440	2.2
70.53780	1.7
71.04983	2.2
74.98566	0.8
83.05018	3.3
85.02936	2.4
85.06577	1.3
87.04508	1.3
93.88940	0.9
97.02945	27.9
105.45589	0.8
109.06588	2.1
111.04527	1.3
111.08140	1.8
119.08681	1.1
125.09639	1.1
129.62357	0.9
137.09709	9.6
171.10278	13.2
179.10892	1.3
179.14388	2.0
193.12315	1.0
195.13872	11.1
205.12202	1.3
211.13406	2.7
221.11938	1.2
221.15433	11.6
223.13435	6.1
233.15582	1.4
239.12828	1.5
239.16585	2.9
247.20573	2.1
251.16547	1.2
273.18524	3.1
291.19656	43.3
292.20047	3.0
309.20691	100.0
310.21014	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	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
54.09428	0.7
57.03442	0.8
57.89698	0.6
58.04510	0.7
59.01372	1.2
64.38261	0.8
69.69569	2.7
80.32813	0.7
97.06602	2.1
111.07462	0.7
113.09721	2.8
115.07645	1.7
125.06123	1.4
126.06846	1.6
141.09201	2.3
152.08354	0.9
165.12808	4.1
167.14423	2.4
171.12328	0.8
181.12366	4.5
183.13863	1.5
193.12376	2.2
193.16048	1.0
195.13885	2.3
211.13423	4.6
219.99611	0.8
221.15437	2.0
239.12845	1.1
240.13664	3.2
244.54979	0.8
247.20628	4.4
265.21609	0.9
270.70737	0.8
273.18661	2.8
281.21127	1.7
291.19650	43.2
292.19928	3.4
309.20694	100.0
310.20999	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.15408	1.2
54.34718	1.2
59.01371	2.3
61.98819	2.2
71.42554	1.3
99.00820	1.5
117.15665	1.4
124.93132	1.3
137.09682	2.8
151.03954	4.0
151.07663	2.5
151.11298	1.7
152.08427	6.7
155.10735	1.4
171.10208	2.5
182.15874	1.4
193.12386	2.3
209.15504	7.8
247.20718	3.3
265.21719	100.0
266.22110	8.6
291.19714	9.6
309.16977	13.4
309.20596	57.5
309.23785	1.2
310.20859	5.5
321.48978	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	309.207
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.29636	12.3
57.03440	20.9
57.76359	12.6
59.01396	17.7
61.98822	28.5
67.86108	13.0
69.33755	68.9
88.66746	12.4
92.92815	16.1
96.96009	16.6
98.22700	23.0
103.84185	14.3
113.09727	17.7
115.85496	12.6
137.09660	14.8
151.04013	22.3
151.11313	25.7
152.08444	67.0
165.12845	29.1
181.12311	37.5
191.10748	20.4
200.45183	14.0
209.11835	91.8
209.15517	71.9
263.20068	15.7
291.19699	42.1
309.17038	90.3
309.20663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03436	1.2
57.40630	1.2
59.01366	4.4
60.18318	1.3
61.98816	1.6
70.09888	2.7
81.03455	2.8
83.01383	9.0
83.05022	4.7
95.05022	2.3
97.02901	1.5
97.06579	3.9
123.04511	2.2
123.08213	1.9
125.06086	2.7
125.09723	8.5
127.11359	1.7
135.08141	1.6
139.11282	11.3
148.05348	2.1
151.04024	2.0
152.08453	7.5
163.11234	7.0
165.12827	16.9
167.10785	3.6
171.10262	2.7
177.12695	1.3
181.12328	4.6
183.10265	1.7
183.13861	2.6
184.07341	1.3
185.11853	2.9
187.53497	1.4
191.10706	3.7
193.15944	5.1
206.09229	1.4
209.11819	59.0
209.15440	4.6
210.12122	3.2
247.20589	14.1
248.21184	1.5
265.21719	3.5
273.18552	4.6
281.20938	2.1
291.19656	100.0
292.19986	7.8
309.17081	8.9
309.20569	37.6
310.20926	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	309.2436
Annotation	Litsenolide C1
Peak:m/z	Relative Intensity
50.10223	0.3
55.32999	0.3
59.09400	0.3
61.98847	0.3
65.70423	0.3
65.79845	0.3
69.89024	0.9
96.96007	2.6
99.00871	0.5
125.02441	1.2
126.03253	2.4
139.04030	0.4
141.08221	0.4
151.04059	0.7
151.07671	0.4
152.08420	1.1
154.89706	0.3
158.02240	1.3
208.10941	0.3
209.15485	1.9
237.22182	0.5
247.24307	1.2
258.90033	0.4
265.25238	0.4
281.25031	0.5
309.17352	5.4
309.24344	100.0
310.24664	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	310.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63111	1.3
54.17880	1.2
55.98191	1.1
59.01377	33.7
69.99144	2.5
69.99493	2.4
71.01376	28.3
78.95899	9.7
85.02943	1.9
87.00883	1.6
88.04029	3.1
89.02438	40.5
98.21963	2.1
101.02430	8.3
113.00703	1.4
113.02473	6.2
119.03534	6.2
120.94199	1.2
120.95455	3.5
130.05058	3.0
130.08736	100.0
131.03546	1.7
131.09111	2.6
136.94023	4.9
143.03508	2.5
160.99466	1.3
161.04567	2.3
178.96017	4.0
179.05620	8.3
237.97154	1.7
250.03171	9.7
268.04391	4.8
276.27353	1.2
277.59308	1.6
292.04636	1.6
310.14279	11.1
311.14111	3.5
328.99387	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	310.2022
Annotation	YM 47515
Peak:m/z	Relative Intensity
54.31520	0.7
54.78131	0.8
57.53111	0.8
59.01378	5.0
59.79766	0.8
69.31491	1.6
69.31894	3.1
71.01366	1.3
83.05025	1.5
85.02933	1.6
149.13374	1.5
193.12347	4.2
207.13927	1.9
224.16531	4.9
238.87457	0.8
260.16638	4.6
274.18146	1.3
278.17532	1.3
292.19174	7.9
310.20224	100.0
311.20575	9.2
315.39087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11559	2.1
59.01385	5.7
71.56946	2.2
73.34357	2.3
84.89066	2.1
85.84189	2.1
96.29869	2.3
111.08155	3.8
122.10586	2.5
135.11844	2.5
137.09740	8.1
138.10081	6.0
140.11598	3.6
168.91483	2.4
169.17441	2.1
171.10229	15.5
172.10596	13.8
178.81775	2.0
186.12129	3.3
196.14249	3.8
198.12039	2.6
211.13408	9.0
212.13777	18.3
239.69867	2.7
292.20016	100.0
293.20493	6.5
310.21014	55.5
311.22147	19.3
312.43115	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	311.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
70.79451	1.2
71.01372	2.3
72.99301	3.0
73.02934	1.4
73.88451	0.7
75.00869	5.1
87.00864	1.3
88.27829	0.7
89.37478	0.7
93.98481	0.8
99.00924	1.1
101.02428	1.3
105.01933	100.0
106.02264	1.2
112.98785	0.9
117.01931	2.1
119.03489	1.7
126.68544	0.8
130.08681	0.8
130.99899	1.0
142.99846	1.9
156.99927	1.5
173.00874	1.6
189.05579	0.8
251.11304	0.8
268.95465	1.5
310.96582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51017	0.4
57.97199	0.3
59.01382	2.8
69.03459	2.0
70.46355	0.8
71.01362	0.6
89.74384	0.4
97.02956	2.7
98.22589	0.4
101.02466	0.4
107.05019	0.8
109.02952	11.1
109.03690	0.8
113.02434	0.6
114.05566	0.7
116.07226	0.6
117.07091	0.7
119.05029	0.5
130.04230	0.7
133.02960	0.9
133.06599	1.2
135.04524	24.4
136.04843	0.8
143.05017	12.2
145.02945	1.3
145.06590	1.4
146.03735	2.4
147.04526	1.0
149.06076	10.6
151.03999	1.4
158.03746	0.7
159.04485	2.5
160.05278	1.2
161.02438	0.9
161.06078	19.2
162.06398	0.7
163.07669	0.8
165.05577	2.0
171.04507	15.2
172.05197	1.3
174.03209	4.6
177.05577	0.8
179.03488	0.9
185.16496	0.9
187.04005	0.8
188.04767	2.6
189.05568	100.0
190.05913	5.3
196.38651	0.4
201.04002	0.6
207.06627	9.3
219.06618	0.5
221.04460	0.5
229.15558	4.9
231.06499	0.6
233.04546	1.3
249.07704	0.5
251.05576	1.1
311.07751	1.3
311.10962	1.8
311.29565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0982
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
57.03454	3.7
57.57253	3.0
59.01376	90.9
71.01377	57.1
73.02938	23.2
76.73663	2.4
83.01376	5.8
85.02955	5.9
89.02441	100.0
95.01395	2.6
97.02937	3.2
98.21886	3.0
99.00870	48.3
101.02435	49.2
109.02926	4.5
111.37759	3.2
113.02421	6.9
119.03496	3.3
122.03699	3.4
122.24853	2.7
125.02438	4.0
131.03479	18.2
137.02438	31.9
143.03479	2.8
149.04529	41.8
154.98155	2.8
161.02429	3.7
170.98758	2.9
191.05611	19.3
243.06357	3.2
266.17712	3.2
300.78192	2.9
311.05399	19.3
312.21945	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	311.0984
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
55.01881	5.0
56.15456	4.0
59.01375	98.3
65.52949	3.8
65.85884	4.2
70.89235	6.7
71.01378	73.8
73.02531	5.0
73.02945	15.1
76.05352	3.7
83.01377	5.8
85.02946	8.9
89.02442	100.0
90.02785	6.5
101.02441	81.0
113.02429	13.4
119.03498	7.1
131.03506	25.9
149.04523	36.4
191.05577	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36518	1.5
51.82750	1.5
59.01376	97.0
60.01690	2.4
65.76137	1.4
71.01378	83.8
73.02950	14.5
75.22992	1.3
77.07034	1.4
83.01385	5.7
85.02959	12.9
86.55440	1.6
89.02441	100.0
89.12513	1.4
90.02786	1.5
99.00824	2.2
101.02442	72.0
113.02446	9.7
119.03489	6.8
120.92571	1.8
125.02463	2.1
130.48541	1.7
131.03500	26.8
149.04533	35.8
191.05661	11.1
233.06204	1.5
256.49728	1.6
287.02661	1.6
305.26233	1.7
320.43884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.5
58.00594	2.4
59.01377	100.0
69.99512	1.8
71.01380	87.2
72.42267	2.0
73.02941	17.1
75.03100	1.9
75.77567	1.9
83.01389	5.0
85.02946	10.0
89.02444	99.8
99.00884	6.4
101.02440	60.2
105.18427	2.3
105.62463	2.0
113.02437	11.7
119.03524	5.5
124.52936	2.1
125.02478	2.8
131.03491	23.7
131.38965	2.0
149.04564	35.1
149.21925	1.8
191.05606	16.6
219.77435	2.0
223.40268	1.9
237.80150	2.3
293.36310	2.1
302.53851	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	311.1136
Annotation	Manglieside A
Peak:m/z	Relative Intensity
53.47189	0.4
59.01376	1.1
93.03429	0.4
98.21818	1.2
116.25067	0.5
119.04996	0.5
122.03725	0.5
129.03532	0.5
147.04492	3.1
148.05266	1.4
149.06073	100.0
150.06400	4.2
151.28708	0.4
165.05566	4.7
189.81815	0.5
311.11670	0.7
320.52597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01360	0.6
69.15002	3.1
75.47819	0.4
77.86564	0.4
90.62231	0.4
91.02501	0.4
97.06530	0.7
98.21833	0.7
121.02966	0.7
122.03773	1.1
126.03264	0.7
136.05293	0.8
140.44777	0.5
143.06993	0.6
147.57808	0.6
167.14421	3.3
173.09099	0.4
183.13828	1.1
184.10336	0.5
193.16000	0.6
195.13881	2.2
207.17523	0.9
223.20667	2.7
231.17538	1.1
233.15703	0.5
249.18608	5.1
267.19635	100.0
268.19986	7.7
275.16483	7.7
276.16891	0.6
293.17596	38.9
293.20947	1.7
294.17914	2.5
311.18597	42.5
311.22253	22.3
312.18958	3.7
312.22592	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	311.2016
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.05783	0.3
61.93216	0.2
63.58003	0.2
68.92789	0.2
86.26520	0.2
89.26572	0.2
89.47733	0.3
90.73843	0.2
91.36224	0.2
133.06596	2.5
136.20425	0.3
149.09714	100.0
150.10046	4.7
167.14409	0.2
183.01184	2.8
184.01930	0.8
195.13890	0.8
244.83684	0.2
250.17627	0.3
311.16776	6.6
311.20001	55.0
312.17059	0.6
312.20355	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
59.84032	0.5
61.98819	1.2
64.00394	0.4
70.34367	1.0
77.72561	0.6
79.95735	0.5
95.23844	0.5
98.22575	0.5
119.94682	0.7
123.00108	0.4
128.21207	0.5
133.06615	2.5
136.07622	0.6
149.09721	100.0
150.10097	4.4
167.14435	0.9
170.60625	0.5
183.01218	14.5
183.02855	0.8
183.13884	0.9
184.01939	2.3
195.13922	2.2
197.02809	1.0
249.22284	0.7
260.23337	0.5
293.21439	1.2
311.16812	28.8
311.20215	49.1
312.17111	2.2
312.20544	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	311.2227
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.52127	0.5
57.03440	1.1
59.01379	0.8
71.21251	0.7
72.62476	0.5
77.69405	0.6
90.54759	0.6
95.10374	0.6
97.06559	0.8
113.09724	1.6
121.10265	1.0
122.44944	0.6
125.09727	2.2
127.11298	0.8
131.83521	0.6
139.11287	7.5
153.12846	0.6
155.10686	0.7
163.11264	4.1
165.12817	1.1
167.10770	1.6
168.11552	1.9
171.10260	8.8
182.13188	1.0
185.11800	0.7
211.13406	1.6
249.22247	5.4
250.22610	0.7
278.72842	0.5
293.21228	72.2
294.21558	6.5
311.22256	100.0
312.22638	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81930	0.6
57.03432	2.0
59.01373	1.6
61.98818	0.8
64.53340	0.6
69.03445	0.7
70.47765	1.3
83.05012	0.9
97.02941	1.2
97.06605	0.8
99.08165	2.3
103.41660	0.6
108.51221	0.6
113.09722	3.8
121.10236	1.0
125.09725	1.6
126.23930	0.7
129.09206	3.7
139.11282	1.9
151.11255	1.1
163.11317	0.7
167.10834	0.8
167.14528	0.7
169.12321	1.9
171.10271	8.0
171.54274	0.7
181.12346	2.6
183.13844	2.1
190.53142	0.6
192.27353	0.7
193.12329	3.6
197.11841	11.0
199.13416	4.8
207.46349	0.7
211.13371	16.2
265.21591	1.0
283.02466	0.9
293.17868	1.0
293.21207	18.7
294.21454	1.9
311.22272	100.0
312.22583	9.9
330.86401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52687	0.6
57.03439	1.5
59.01363	1.1
61.02384	0.6
70.50987	0.6
70.51348	0.7
76.95936	0.6
79.39027	0.5
82.65928	0.6
83.99733	0.6
96.79660	0.8
97.02939	1.4
97.06561	1.0
99.08167	1.2
113.09710	4.2
121.10223	2.3
125.09753	0.9
127.11281	1.3
129.09209	1.5
137.09657	0.7
139.11279	14.1
144.04086	0.6
153.09253	1.1
165.12834	1.2
171.10263	23.0
172.10643	0.7
181.12270	1.2
183.13971	0.7
185.11868	1.8
191.86739	0.6
193.12376	4.6
195.13950	1.4
197.11818	2.2
199.13412	1.0
201.11308	1.2
211.13402	8.0
249.22133	1.3
261.52347	0.6
275.20032	1.8
293.21213	18.4
294.21500	2.2
311.22256	100.0
312.22638	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61657	0.5
52.13696	0.4
71.04537	0.5
107.55070	0.5
113.09729	1.0
115.07658	1.4
117.14135	0.5
128.08440	0.7
161.14821	0.5
167.14395	4.1
181.68724	0.5
183.13821	2.5
187.80092	0.6
195.13892	10.7
203.51613	0.6
211.13469	1.0
213.14957	1.4
242.15276	1.4
263.81714	0.5
267.23154	0.7
267.71606	0.6
274.95914	0.6
275.20248	0.7
293.21255	6.7
302.95786	0.6
311.22272	100.0
312.22638	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01377	0.9
61.98803	0.6
69.86353	0.8
70.06957	0.5
98.11004	0.6
107.12833	0.7
114.51480	0.5
123.08258	0.9
125.09702	3.4
139.11357	0.6
141.09189	2.1
141.12837	1.5
145.32382	0.7
153.09201	2.2
155.14444	2.3
156.48692	0.6
157.12370	1.2
168.91420	0.6
170.88405	0.6
171.10274	2.0
181.16061	0.8
185.11740	0.9
200.10561	2.7
249.22241	2.5
265.21735	1.3
267.23221	0.9
275.20050	0.8
293.21219	9.0
294.21646	0.6
311.22272	100.0
312.22665	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	311.2227
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
57.03440	3.3
59.01373	2.9
61.98816	6.3
70.48792	4.9
73.84174	2.0
79.95731	2.2
82.86647	2.2
91.91960	2.0
92.92783	2.4
94.92550	2.3
119.94698	6.0
125.09705	5.2
155.10806	2.8
168.91423	3.3
183.01204	42.3
184.01657	2.4
185.11850	11.4
197.02771	10.8
277.41034	2.3
293.21228	50.0
294.21625	5.1
311.16870	100.0
311.22546	6.1
312.17166	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62902	0.7
57.03452	1.4
66.56319	0.8
69.03481	1.0
70.49916	1.7
99.08183	1.0
123.08139	1.9
125.09740	3.1
127.11324	4.8
129.09241	1.6
134.71072	0.9
139.11296	9.0
155.10767	2.2
169.12354	1.1
171.10266	50.8
172.10544	1.7
181.12350	1.4
183.10251	3.3
185.11850	7.2
186.28841	0.9
197.11813	2.1
199.13565	1.5
201.11301	9.6
211.13435	5.7
213.71411	0.8
275.20163	4.5
293.21255	14.7
294.21490	1.1
311.22269	100.0
312.22617	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
57.80717	1.4
59.01387	2.5
61.98817	3.5
71.12221	2.1
92.92794	2.4
108.72057	1.5
119.94684	2.8
141.60748	1.5
160.37480	1.2
170.88374	2.9
171.10303	4.1
183.13869	2.0
195.13882	3.0
197.63118	1.5
211.13443	2.6
216.55373	1.5
228.84235	2.1
274.97580	1.5
293.21243	9.7
306.80127	1.5
311.22275	100.0
312.22668	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98830	3.2
85.92062	1.2
92.92828	1.9
113.09739	3.8
119.94755	1.8
121.30435	1.3
125.09666	3.5
130.83661	1.8
139.11296	11.8
146.40092	1.4
168.91405	2.0
170.88423	1.7
171.10286	13.1
181.12439	1.8
185.11783	6.8
197.11874	2.2
209.15466	2.9
211.13397	32.9
212.13751	2.3
293.09021	2.1
293.21225	100.0
294.21552	6.7
298.95593	1.6
311.17273	1.6
311.18735	2.1
311.22266	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	312.0065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26253	0.6
59.01358	4.2
61.98824	1.7
66.20891	0.6
71.01392	1.5
73.72638	0.7
85.37361	0.7
96.41713	0.6
99.98899	2.5
117.00462	5.3
124.98410	0.7
125.98506	1.5
126.00455	5.9
126.98183	1.8
126.99984	1.4
128.97894	1.2
129.00441	1.7
141.99963	57.8
143.00113	4.1
151.98427	0.7
158.23918	0.6
159.01439	1.6
167.99603	3.6
168.91736	1.4
168.99165	4.5
169.89482	0.8
169.99448	100.0
170.97813	8.8
170.99106	10.5
171.01317	5.5
179.98070	0.8
184.01010	22.1
185.01109	1.8
259.01569	1.1
312.00656	4.3
312.99350	1.6
313.02655	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	312.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.1
63.65529	11.8
67.47589	11.7
69.53075	21.8
69.53439	48.4
71.01382	22.2
96.00921	100.0
109.02912	16.7
113.03571	31.9
120.20986	12.9
128.07184	20.4
130.08707	17.8
133.02924	21.1
151.03989	22.6
201.11296	15.5
242.01839	12.4
269.15302	13.7
295.13043	32.4
312.06384	48.5
312.15710	20.6
312.21848	17.6
313.07205	29.8
313.22464	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61260	1.0
55.01880	1.6
59.01365	1.8
63.28059	1.0
69.13449	6.7
71.05019	3.5
80.33753	1.1
85.06591	9.0
99.00883	19.8
99.08191	1.7
109.06593	2.8
111.04523	29.9
112.04855	1.2
114.09219	5.8
115.07652	17.6
116.08121	1.1
127.07658	27.4
128.10811	5.9
129.05582	9.2
138.09235	2.1
140.10860	3.1
152.10876	1.4
156.10298	62.4
157.10617	2.5
158.11862	100.0
158.59337	1.2
159.12146	3.1
171.06641	13.5
172.07036	1.2
180.70599	1.2
196.09828	4.1
212.16557	3.8
214.10832	5.0
312.18182	27.8
313.18704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
53.76760	0.8
59.01372	4.6
61.51820	1.1
64.81613	0.8
68.91745	0.9
69.13770	6.0
74.02441	0.8
75.00909	0.9
75.22543	1.0
76.14991	0.9
77.03967	1.6
78.95909	1.6
88.04032	12.4
89.04359	1.9
94.85335	0.9
95.05006	2.1
96.96040	1.2
99.04558	1.0
101.26157	1.1
105.03449	7.5
105.14413	0.9
105.68935	0.8
107.05008	1.1
108.02156	1.6
109.02966	4.4
121.02964	6.8
123.04576	1.2
129.10365	0.9
130.08708	1.4
133.02956	41.9
134.03760	22.7
135.04526	100.0
136.04872	3.3
137.02425	5.6
139.04062	2.2
145.02953	0.9
147.04526	6.1
149.02444	1.5
151.04063	1.6
152.99536	1.8
153.05475	0.8
159.04451	1.5
177.01920	19.4
178.02711	27.9
179.03490	60.1
180.03809	2.8
191.03514	2.8
197.04573	1.4
212.16606	1.6
223.10939	1.9
224.11201	2.4
265.94763	0.9
269.08133	3.3
281.12512	1.4
312.15616	1.3
312.21744	1.8
313.06979	2.1
313.12750	1.8
313.15906	4.8
313.22305	2.4
313.25903	1.0
314.17050	1.8
314.20648	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01378	0.6
69.37744	0.9
69.38148	0.9
83.66537	0.4
102.37437	0.4
103.14807	0.4
107.42166	0.3
108.02156	0.5
114.86097	0.3
121.02955	100.0
122.03307	3.2
130.08714	0.9
155.10741	0.7
164.31490	0.4
180.05867	0.9
181.06601	4.1
225.05566	7.3
226.05797	0.6
230.83861	0.4
235.18224	0.8
295.22797	0.6
312.22571	0.7
313.07175	17.4
313.15866	0.5
313.20374	0.7
313.23813	5.4
314.07516	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	313.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	5.4
61.85885	0.3
70.75247	0.3
70.75623	0.7
71.01378	0.7
81.03442	0.5
83.05006	0.9
89.02449	1.3
91.03985	2.0
93.03418	0.5
95.04987	0.5
97.06585	1.7
105.43413	0.3
106.04245	0.8
115.36784	0.3
116.57100	0.3
121.02927	0.7
121.10201	0.7
134.98956	0.3
136.14870	0.4
159.11763	1.4
175.11255	0.8
177.12842	24.5
178.13170	1.8
195.13893	100.0
196.14230	5.8
203.10803	2.3
211.33730	0.3
221.11836	12.9
222.12170	1.0
239.12871	25.4
240.13152	1.3
313.16562	41.9
314.16876	3.3
321.44717	0.4
324.10239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1658
Annotation	3,3,6-Trimethyl-5-heptene-1,2,4-triol
Peak:m/z	Relative Intensity
59.01378	19.9
61.98817	22.0
63.56235	12.0
70.31353	39.0
71.01404	12.4
108.02171	25.9
121.02975	55.9
170.88321	18.6
177.12813	19.2
191.38478	17.0
195.13918	100.0
209.15450	42.6
239.12817	24.0
253.14423	38.7
254.85748	25.4
271.15579	34.1
280.23956	17.4
313.07288	18.1
313.16519	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1658
Annotation	3,3,6-Trimethyl-5-heptene-1,2,4-triol
Peak:m/z	Relative Intensity
57.03434	6.6
59.01380	39.7
71.45072	2.2
72.99313	2.1
73.04073	1.7
81.44078	1.5
83.05050	1.4
85.02950	4.5
87.04516	40.2
121.02937	1.9
121.10217	5.0
137.09810	1.8
150.32518	1.4
165.09183	1.8
172.80110	1.7
183.10263	18.7
193.62352	1.5
253.14436	7.8
271.15503	100.0
272.15881	8.4
313.12943	3.1
313.16519	19.8
324.75247	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.58828	0.9
59.01358	0.8
61.98830	1.0
66.18568	0.8
69.61599	3.0
88.11109	0.8
92.93728	0.8
114.66870	0.8
125.22968	0.8
127.11310	1.4
155.10788	3.0
171.10258	5.8
201.11412	1.9
267.23450	0.9
295.22684	8.4
311.22162	1.3
313.23816	100.0
314.24249	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.70343	0.4
58.00595	3.4
59.01367	0.5
61.40491	0.4
61.98813	0.7
69.67551	1.2
77.09875	0.4
97.06625	0.6
98.21907	0.5
99.08159	19.9
111.08170	0.7
127.07664	3.0
129.09218	21.5
130.09537	1.4
166.33945	0.4
169.62410	0.4
170.64073	0.4
183.13896	41.4
184.14230	2.3
195.13934	3.3
208.46857	0.4
211.94429	0.4
277.21799	3.3
295.22763	8.3
296.23141	0.8
313.23828	100.0
314.24170	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
57.03420	0.9
58.00571	1.6
59.01359	0.6
60.49335	0.6
64.43822	0.5
71.26419	0.6
98.54147	0.7
99.08146	0.6
108.58722	0.6
125.09722	5.3
127.11277	6.1
137.09680	1.2
139.11288	1.3
155.10759	2.6
165.09258	2.8
171.10291	6.1
174.02002	0.6
183.10318	0.9
199.09758	1.5
200.10246	0.7
201.11307	39.4
202.11661	2.0
277.21799	4.7
295.22760	5.1
313.23822	100.0
314.24179	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	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.57996	0.6
51.87773	0.6
59.01365	1.8
66.91233	0.6
69.03451	0.8
71.46557	0.5
72.42145	0.6
82.45168	0.6
95.05029	1.3
97.06580	8.5
99.08172	2.1
109.06594	0.9
111.08167	0.8
121.03054	0.7
125.06100	4.2
127.07655	1.0
129.09209	0.8
137.06090	2.4
143.07132	30.6
144.07504	1.1
155.07146	2.2
167.14348	0.8
169.15968	5.6
173.08240	3.2
189.87743	0.7
213.14954	1.7
251.23727	0.8
277.21774	8.9
295.22723	8.9
296.23129	0.9
313.23828	100.0
314.24164	10.8
314.27551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.45446	0.3
59.01364	0.4
61.11944	0.3
61.98817	1.1
69.65030	0.3
71.05020	1.4
71.15201	0.4
79.27827	0.3
81.03455	0.4
83.05011	1.5
97.04229	0.3
97.06561	0.4
108.02207	0.4
113.09719	1.7
119.94694	0.4
125.09711	1.4
127.11275	2.2
141.12903	1.6
151.11237	0.4
152.01176	0.3
153.46687	0.3
155.14403	1.1
170.88353	0.8
171.10251	2.6
176.15584	0.3
183.13834	0.7
197.90236	0.4
205.52496	0.3
213.72578	0.3
251.23753	1.2
293.21201	1.6
295.22763	3.3
311.22308	0.7
313.23816	100.0
314.24191	8.5
327.60617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.27082	1.1
57.03454	10.7
65.32623	1.0
69.03450	3.8
70.85139	1.2
75.46384	1.0
84.08652	1.0
91.02217	5.5
93.00130	1.2
96.23636	1.1
123.24726	1.2
124.85563	1.0
176.90619	1.1
193.70807	1.1
267.26920	50.2
268.27213	4.8
295.26523	1.7
313.27478	100.0
314.27866	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	314.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68116	0.4
59.01376	14.3
59.88716	0.5
70.09433	0.8
71.01371	1.5
73.02932	0.7
73.04060	0.8
74.02471	0.6
82.06626	0.9
83.01392	0.6
83.02512	1.3
84.61835	0.5
86.02450	0.6
88.04044	3.9
89.02445	0.7
93.03434	1.2
96.04542	0.5
97.06606	1.4
100.07702	0.5
101.02419	0.7
104.03519	1.5
104.76604	0.4
109.02937	0.8
112.02787	1.0
114.05604	100.0
115.05888	2.5
116.07184	4.5
130.08734	4.4
135.08195	0.8
139.08792	1.2
140.07178	6.9
141.10335	1.1
143.11855	1.2
145.03188	0.5
149.06052	0.4
151.03979	0.6
152.04369	1.1
152.07149	1.0
153.01904	2.0
157.13414	0.5
161.04564	1.4
167.08299	0.6
169.09819	25.4
170.08191	1.4
170.10143	1.0
171.15007	1.4
182.08221	1.5
183.15028	1.5
197.13098	0.5
199.10870	17.3
200.11119	0.9
217.00238	0.6
227.14020	1.1
240.17139	1.1
270.17993	0.5
270.21964	0.8
284.16248	2.8
314.17175	25.8
314.20499	7.7
315.13861	0.6
315.17410	1.9
315.20612	1.0
336.65753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17257	1.3
50.39109	1.3
57.03428	2.0
59.01375	4.4
68.10561	1.3
69.17027	8.7
71.01382	3.4
73.02943	2.5
73.04067	6.4
75.29622	1.6
88.04040	11.9
95.05022	1.6
97.06586	4.7
101.02443	23.4
111.08151	8.0
112.95538	1.2
115.00385	2.5
115.07652	100.0
116.08015	1.6
122.06070	2.3
128.10829	1.5
138.09319	1.7
156.10309	13.2
158.11861	11.3
180.13876	2.9
182.93816	1.3
191.14305	2.3
195.77213	1.2
196.21916	1.4
198.11560	1.2
199.13176	1.4
215.11923	1.2
222.18571	1.5
243.14880	1.9
270.17245	2.2
287.13986	2.8
296.18494	1.4
314.16052	11.3
314.19748	53.0
314.23477	3.2
315.13495	18.0
315.19897	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	314.2085
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
59.01371	5.1
62.01591	0.6
69.78546	2.4
70.62300	0.8
71.89242	0.8
73.04073	0.8
74.02497	1.0
82.06629	4.1
82.21025	0.7
88.04042	100.0
89.02422	1.3
89.04385	0.8
97.06613	1.0
101.02407	0.8
109.02946	1.2
112.07668	1.0
113.03627	0.8
114.05608	66.0
115.05923	0.9
115.08722	3.5
116.06348	1.6
116.07178	29.5
117.07455	0.8
129.09503	1.2
129.10361	7.4
130.08676	1.8
139.08801	3.4
140.07133	3.8
140.10811	1.7
146.32648	0.8
151.04001	2.2
152.04332	2.2
152.07095	1.5
153.01923	3.7
155.08167	0.9
157.13470	10.6
167.11888	1.7
169.08481	1.2
169.09833	15.7
170.10159	0.8
171.15039	6.9
186.11220	1.1
190.08817	0.7
191.03468	1.1
195.15045	3.4
197.12943	3.6
197.16679	3.8
199.10887	11.0
201.12419	1.6
225.16106	14.3
233.72562	0.8
240.17035	1.1
242.18797	1.1
249.35429	0.8
270.08478	1.6
270.21857	9.1
271.09714	1.6
271.22134	1.2
314.17154	17.7
314.20767	90.1
315.13153	2.5
315.17484	2.1
315.21066	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	314.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28036	0.4
58.87594	0.4
59.01379	1.0
66.03463	0.5
69.64143	0.7
69.64513	0.9
70.02981	0.6
80.05062	0.5
82.06625	1.3
84.08199	1.2
87.05640	10.3
97.04081	1.6
129.10353	7.1
130.08740	100.0
131.09084	1.9
139.08812	1.0
140.10815	2.0
143.11911	0.5
153.10356	6.0
155.11905	6.0
157.13466	15.1
158.13799	0.6
162.49251	0.5
166.08774	0.6
167.11874	0.4
182.13097	0.6
183.11375	13.1
199.18169	8.5
200.14099	0.9
200.18527	0.6
201.12404	0.9
213.14853	1.1
214.15788	0.5
219.40639	0.5
270.21881	14.1
271.22180	0.9
314.20850	92.1
315.21130	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	314.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	14.0
59.15793	2.8
65.77106	3.0
68.87691	3.1
69.10994	13.1
69.11396	5.3
78.99348	3.6
80.54772	3.2
82.06605	4.9
87.05642	16.0
97.04082	5.0
127.05113	11.6
127.17532	3.1
130.08730	88.3
141.06616	5.8
153.10298	5.4
155.11852	4.0
182.15425	4.1
183.11404	22.8
185.05670	6.7
199.18094	9.6
217.00339	5.8
270.21796	12.9
298.34244	3.5
303.94644	3.2
314.11343	13.3
314.20776	100.0
315.20844	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
70.51840	0.3
70.52177	0.3
71.01369	0.5
72.99306	5.5
75.00868	5.6
76.60603	0.3
78.95914	0.7
96.96975	0.7
103.00391	0.4
105.01931	100.0
106.02278	1.3
106.98093	0.3
118.95620	0.3
135.02997	3.6
152.95944	1.7
170.96970	1.6
178.95186	0.9
215.59808	0.3
276.85318	0.3
314.95282	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	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.9
62.86101	1.2
70.86173	1.7
71.01379	11.5
72.99335	2.1
73.04057	7.0
74.02461	13.1
75.00867	1.4
77.43510	1.4
78.95898	7.2
82.03013	1.5
82.06593	1.5
83.06165	2.5
84.04541	3.5
84.08221	1.2
85.02925	2.6
87.05627	5.1
88.04041	77.9
93.03496	1.4
96.00969	1.6
96.96960	10.8
97.07706	1.5
98.02482	1.8
98.06096	1.2
99.00900	1.2
101.02440	1.8
101.07234	2.1
102.05569	1.6
105.01934	1.9
108.02171	100.0
109.02961	67.9
109.04112	3.1
110.03313	2.1
114.01954	1.8
114.05598	4.6
115.00354	5.9
115.08772	6.3
116.07188	1.6
117.00471	1.8
117.05595	1.9
123.04523	35.9
125.07196	2.3
126.98869	1.5
127.05132	19.8
127.08758	1.5
128.03558	6.7
129.10342	13.4
130.08751	11.1
131.08260	4.6
132.03008	2.2
132.98212	1.7
134.03728	1.6
134.04695	1.4
135.04529	9.3
139.08751	3.4
141.06709	1.6
141.10318	4.5
143.11897	9.2
144.11398	2.1
145.06186	20.5
145.09816	3.7
151.04070	1.5
152.01158	67.2
153.01939	81.0
153.05565	48.2
153.06842	1.4
153.10402	2.7
154.02295	2.3
155.08208	1.8
155.11894	3.3
158.09291	1.7
159.55589	1.3
161.01312	1.6
165.01903	1.8
169.09821	10.2
172.14569	4.5
174.99228	9.9
183.11444	2.2
186.12361	1.9
187.00406	3.7
187.10883	9.8
196.05762	2.8
196.14546	18.9
198.16151	2.4
200.14020	13.8
201.12457	5.1
209.09261	1.5
214.15581	4.9
214.19356	2.0
217.00298	32.4
217.11932	13.2
226.12016	2.9
226.15591	8.3
238.06874	6.7
239.14917	1.7
253.16754	5.0
254.99956	1.4
255.09395	3.6
270.14545	1.9
271.14948	1.6
271.17831	4.3
271.21393	8.0
272.16049	4.0
285.07690	7.8
286.17807	3.2
297.15649	5.2
298.14084	2.2
315.07205	85.1
315.16714	50.0
315.20374	55.7
316.07422	5.0
316.15170	21.5
316.18613	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	315.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95724	0.5
59.01383	3.5
65.65039	0.4
69.63609	0.5
71.01382	1.4
72.99310	5.8
74.02470	1.4
75.00876	9.7
78.95909	1.7
84.04551	0.5
87.05618	0.8
88.04040	14.3
89.02433	0.9
96.00909	0.7
96.96976	0.8
99.00901	1.1
102.05608	1.1
105.01935	100.0
105.09320	0.5
106.02278	2.7
106.47234	0.5
108.02171	9.8
109.02962	10.2
112.98814	0.8
114.05645	0.5
115.00381	1.4
115.08775	1.4
117.01888	0.6
123.04542	0.8
127.05143	1.2
128.03539	1.7
129.10403	0.6
133.01448	1.5
133.05034	0.5
135.03006	13.3
135.04549	0.7
136.72684	0.5
143.11960	0.9
145.06143	0.5
146.04654	0.5
152.01152	6.5
152.95978	1.7
153.01930	10.4
153.03111	0.7
169.09869	0.6
170.97002	1.3
172.14508	1.0
186.12556	0.6
187.10930	1.6
189.42398	0.5
200.14035	2.4
226.15646	1.8
247.70708	0.6
267.71198	0.5
272.15881	1.0
314.95151	1.5
315.07214	9.7
315.16754	3.7
315.20389	6.4
316.07394	1.0
316.15067	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01373	7.1
70.71376	1.5
70.71723	1.9
88.98806	4.3
123.04520	65.2
124.04838	1.8
130.06613	2.3
132.37962	1.2
153.05568	100.0
154.05910	4.4
180.55005	1.1
217.00278	1.8
225.06499	5.6
232.97543	1.6
234.48192	1.1
315.10660	3.6
315.16846	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	315.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04012	0.8
59.01371	12.3
71.01381	1.3
72.00904	1.2
72.54204	0.9
72.99289	1.3
77.45116	0.9
78.95893	3.4
83.06150	3.5
88.04009	1.2
96.96951	1.7
104.03544	1.5
105.01952	1.0
108.02171	15.0
109.02961	9.1
109.58253	1.0
113.07163	1.0
114.05574	1.2
116.07118	1.0
117.00447	1.5
123.04507	3.5
126.00493	1.9
128.03647	1.0
131.08263	53.0
132.03030	1.0
132.08594	1.3
141.01546	1.0
142.05075	1.0
150.05196	4.7
152.01147	10.7
153.01939	6.1
153.05583	4.4
153.99986	2.3
154.01089	0.9
156.07741	1.7
158.89330	1.8
159.89388	3.3
166.73633	0.9
172.01012	19.3
173.01247	1.4
173.10432	6.8
178.04721	2.2
185.03024	2.1
192.02625	2.6
192.06299	2.6
194.07828	4.2
196.05791	27.2
197.05838	1.7
208.05676	1.5
211.05760	1.0
212.08908	1.2
213.07231	1.0
214.05760	2.9
217.00237	2.2
231.08385	7.4
238.06833	100.0
239.07008	11.5
255.09488	75.5
256.09647	7.8
273.10568	3.4
285.62296	1.2
315.07132	13.0
315.10422	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	315.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
69.19775	1.6
69.20160	3.1
83.06149	5.1
88.04095	1.1
95.75362	0.9
98.22701	1.5
108.02227	1.3
117.00446	1.7
123.04493	1.0
126.00500	1.5
127.10595	0.8
131.08266	51.3
141.01564	1.5
150.05170	4.4
153.01859	0.8
153.05551	2.2
153.99968	4.0
154.01073	1.1
156.07777	1.7
167.03108	0.9
172.01012	21.4
172.02434	1.7
173.01109	1.1
173.10455	7.0
178.04709	3.8
182.03024	1.1
183.06235	1.3
185.03021	2.9
192.02649	3.7
192.06252	3.1
194.07797	7.0
196.05765	24.0
197.05914	1.6
211.05743	1.0
214.05664	3.5
231.08304	6.4
232.08614	0.9
238.06827	100.0
239.07050	10.6
255.09477	84.0
256.09695	8.7
273.10544	4.3
315.16861	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	315.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13928	12.7
59.01371	46.3
65.56721	11.7
70.79451	18.9
71.01364	19.9
72.62118	14.4
73.02954	16.3
75.66300	12.9
88.04023	25.5
129.10298	19.8
130.08714	100.0
131.09103	30.4
153.09198	17.7
157.13408	25.1
199.10922	16.9
209.09286	17.4
266.52426	14.4
315.17706	28.4
315.21170	79.4
316.21579	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	316.1512
Annotation	Leu-Ala-Asp
Peak:m/z	Relative Intensity
59.01381	5.5
69.42313	4.7
71.01383	27.7
73.04046	1.8
74.02475	17.4
78.95841	1.4
82.03010	1.4
82.06622	2.2
84.04562	1.6
87.05631	12.6
88.04039	44.2
89.02444	2.1
89.04404	2.0
89.82300	1.2
97.04111	1.6
102.05596	6.0
104.03544	1.8
114.01968	1.8
115.00378	36.5
115.08746	1.7
120.18803	1.2
124.04015	1.6
125.73110	1.1
128.03561	11.1
129.10359	8.4
130.08745	4.6
132.03017	11.8
136.04070	3.2
140.01126	2.2
141.06772	1.9
141.10349	3.4
143.11917	3.9
146.04645	2.3
146.19960	1.1
153.10315	4.2
155.03537	1.7
155.11905	4.3
157.13464	5.2
164.07191	2.4
168.11501	1.3
169.09843	4.1
171.15033	3.0
180.10396	2.9
181.13364	1.4
182.13002	4.2
183.11403	10.3
183.14949	1.7
183.80191	1.1
186.12480	1.7
187.10866	7.3
200.14052	76.9
201.12463	31.7
201.14395	3.7
204.23715	1.2
210.16054	1.9
211.14554	3.2
219.35727	1.2
220.15051	1.2
223.10912	3.8
228.17274	3.3
242.18803	3.2
254.14996	1.9
254.18774	2.8
258.14719	1.2
272.16138	13.0
286.17792	5.5
292.94846	1.3
294.76288	1.1
298.14069	6.6
316.15140	100.0
316.18494	7.0
317.15512	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	316.1876
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
56.24896	5.8
59.01365	16.9
69.37151	35.0
73.04066	10.6
76.47836	6.6
79.78442	7.2
91.87530	5.7
102.18040	6.3
116.07178	22.7
130.08769	69.3
155.08409	7.3
185.16618	45.2
219.84482	6.6
237.19931	7.7
242.18785	14.4
286.17731	8.0
316.18701	100.0
316.21912	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	316.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40125	0.5
56.74344	0.5
59.01371	1.7
59.78588	0.5
66.03469	0.9
72.00924	0.5
73.04060	8.0
74.02481	0.9
82.06628	1.4
82.92003	0.5
83.02531	0.6
84.08186	0.7
88.04030	1.2
103.05141	1.2
105.03495	0.5
111.09312	0.7
112.07705	0.5
113.03481	0.5
114.09217	0.6
114.29289	0.5
115.08775	1.4
116.07175	24.4
125.07199	2.5
126.05602	4.5
127.08785	3.1
129.10332	2.9
130.08734	87.6
131.09116	2.3
131.51645	0.5
139.08731	0.7
140.07185	1.4
141.10353	1.4
143.11887	1.6
154.01509	1.3
154.09882	1.1
155.08276	5.5
167.08244	1.4
168.13957	1.6
169.09827	2.8
181.09811	0.7
185.09305	4.8
185.16583	53.9
186.16911	1.8
194.72894	0.6
195.14998	0.7
199.10901	2.7
211.14482	0.6
229.15643	2.6
230.93439	0.5
231.12155	0.7
242.18736	22.0
243.19022	1.3
255.13496	1.7
286.17709	15.8
287.17865	1.5
298.17795	2.8
299.12451	2.5
316.18719	100.0
317.13095	0.7
317.18985	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	317.0666
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
50.68506	1.0
54.15783	1.4
55.07371	1.2
57.03447	15.4
63.02383	3.8
65.00334	6.2
81.60487	1.1
83.01395	7.3
83.05069	1.5
93.67425	1.2
95.01380	5.3
96.02169	1.6
106.33569	1.3
107.01379	3.8
108.02153	2.2
111.00887	3.0
122.03709	3.7
123.00874	3.0
124.01653	16.1
125.02443	100.0
126.02731	2.0
139.00328	2.1
146.03696	2.4
148.01848	1.2
149.02435	4.4
150.82072	1.1
151.00380	14.6
152.01147	36.4
153.01846	2.7
163.03981	1.3
178.99850	7.8
180.00540	2.8
180.76080	1.3
188.04721	2.9
189.05812	1.3
192.04298	8.0
207.06532	5.5
214.06342	2.2
216.04260	2.1
230.05846	4.7
231.06654	6.5
245.08243	1.7
256.03683	1.2
258.05331	5.0
273.07697	10.9
274.04825	3.7
284.03381	1.6
289.07169	67.8
290.07504	4.0
299.05661	2.7
317.06638	65.4
317.21262	2.1
318.06934	4.3
329.37323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97272	3.0
59.01353	2.7
70.89323	2.8
78.35415	2.5
83.05017	3.0
95.27544	2.6
96.95981	9.0
106.05931	5.3
106.06623	97.3
106.07337	4.7
107.07021	3.0
116.05075	3.5
122.06101	4.3
124.04000	3.0
126.42893	2.5
127.28841	2.5
132.04544	3.5
134.06061	2.8
138.05609	18.1
140.07195	17.5
144.08186	5.3
150.05586	12.3
152.03517	39.4
166.05144	15.8
167.05865	100.0
169.09428	2.8
186.12852	14.7
194.04492	3.2
200.07178	3.3
201.07971	14.5
202.12224	4.1
215.09483	10.6
218.28394	2.4
225.06860	4.0
226.07449	5.0
230.11833	36.9
239.08138	2.6
240.09149	5.7
248.04173	3.4
255.11397	47.0
256.11771	3.5
273.12439	63.9
274.10809	11.6
285.08603	8.3
299.10281	13.5
317.11420	79.5
317.20950	4.8
318.11658	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.9
59.01372	9.5
69.09464	16.8
71.01377	4.4
71.05011	5.2
73.69038	2.2
73.69488	2.7
73.81648	2.3
75.59196	2.3
83.05013	2.4
88.81845	2.9
90.74828	2.8
96.51591	2.3
96.64899	2.2
97.02942	3.4
97.06588	3.7
98.21866	6.3
99.00890	29.7
105.41771	2.3
110.03700	3.1
122.06091	6.2
123.03298	2.8
123.36003	2.8
125.09715	16.9
134.06088	6.2
136.04028	22.7
136.07678	40.4
138.05617	12.2
149.04796	7.0
152.07115	3.3
163.11310	17.9
167.64246	2.5
169.06517	2.7
181.12357	54.4
194.49968	2.6
197.32666	2.3
199.13411	36.9
201.07921	3.1
207.10258	43.3
208.10561	5.4
209.11699	3.5
225.11324	99.1
226.11639	6.9
230.11821	5.0
240.08966	4.8
243.12379	100.0
243.14859	5.8
244.12582	7.2
255.11374	17.8
273.12347	22.6
317.11447	17.2
317.15988	94.4
318.16278	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	318.167
Annotation	Leu-Thr-Ser
Peak:m/z	Relative Intensity
58.02951	1.2
59.01378	11.1
60.53205	1.2
60.99289	1.3
61.98822	1.2
70.21952	1.2
70.22284	2.8
71.01369	4.6
72.00919	1.7
73.04072	21.3
74.02477	58.5
78.54033	1.4
78.95908	2.8
82.06616	2.2
83.01390	1.5
83.02515	2.1
84.00904	1.5
84.03835	1.1
86.02470	2.8
87.05632	3.4
88.03976	1.2
89.02441	3.6
95.04997	1.5
100.07714	1.3
101.02414	1.6
104.03534	26.8
113.06056	1.7
115.00371	3.8
116.07185	1.3
117.06681	2.2
126.09283	3.5
129.10323	2.8
130.08714	4.0
133.01715	1.3
133.02940	8.3
138.05602	5.7
138.09184	1.4
139.08772	5.6
140.07130	2.9
141.10338	8.9
143.11906	29.6
144.12260	1.4
153.10316	1.9
154.05043	1.4
155.11914	37.2
156.12231	1.7
169.09830	20.3
173.12959	2.8
176.98074	9.3
177.01903	2.3
186.12549	1.3
187.10866	10.7
190.00961	1.5
200.14084	25.0
212.14058	29.5
213.12503	5.7
213.14278	1.8
230.11441	1.2
230.15097	4.3
231.13496	8.0
244.13039	27.0
245.13301	1.6
274.14084	9.7
288.15649	39.3
289.15921	2.9
300.15610	1.9
318.12271	4.0
318.16681	100.0
319.16977	5.7
319.22729	2.5
327.83633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12359	6.1
62.81354	5.5
66.43253	6.0
74.03162	5.4
90.51095	5.5
93.07101	7.8
95.28439	6.5
118.63199	5.7
121.05261	5.6
122.06099	24.5
131.50420	5.9
136.07664	100.0
138.05615	57.4
140.07133	20.3
151.06380	20.6
152.07120	8.7
156.30490	6.7
188.07112	6.1
191.09662	6.3
203.09499	23.1
208.77850	6.5
228.09067	10.2
232.13400	16.9
242.10585	8.1
246.10033	8.6
257.12949	89.9
273.15570	6.1
275.13959	44.2
319.12970	67.5
319.22659	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.59534	0.5
55.01874	1.5
57.03452	0.9
59.01378	44.5
71.01381	22.6
73.02940	3.3
77.82719	0.6
83.01399	3.3
84.02167	1.3
85.02936	5.4
87.00880	1.0
88.04060	0.8
89.02444	15.3
95.01394	2.2
95.05070	0.6
96.96011	32.1
99.00891	0.6
101.02436	13.5
111.08157	17.6
112.04050	0.9
113.02453	6.9
119.03493	5.9
121.05373	0.7
122.06110	2.1
123.03289	2.1
124.04053	2.4
131.03622	0.6
134.06082	0.7
136.07687	9.1
137.06078	1.8
137.09755	3.2
138.05600	12.1
139.07645	4.3
153.09218	1.7
157.08699	59.9
158.09038	1.5
159.03064	0.6
161.04543	1.3
179.05685	0.7
182.04630	1.0
182.44550	0.7
183.05342	0.8
184.06148	2.4
193.70540	0.6
199.09750	2.4
220.67093	0.6
239.12903	5.2
240.12988	0.7
257.12976	4.9
261.33902	0.6
319.08609	15.2
319.13956	100.0
320.09058	1.2
320.14301	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01873	5.0
57.03444	3.4
59.01381	59.2
62.31757	1.1
63.15683	1.1
69.03434	1.3
70.04093	1.6
70.04444	3.2
71.01383	51.9
72.99309	1.3
73.02953	17.3
73.04066	16.0
74.02464	1.2
74.17292	1.3
75.00885	1.1
83.01389	11.8
83.02515	3.8
85.02949	20.9
86.00121	1.7
87.00877	1.3
89.02448	20.7
91.05524	1.7
95.01385	4.4
96.95985	3.7
99.00881	5.1
100.04105	1.4
101.02448	51.7
102.02779	1.7
109.02897	1.8
111.00898	1.6
113.02459	20.0
113.03571	2.0
116.07176	26.1
117.55299	1.3
118.06616	1.4
119.03506	9.3
125.02411	5.9
129.01970	1.7
130.08725	6.4
131.03522	1.1
131.09093	1.4
136.07712	1.7
137.02432	2.2
137.74220	1.1
138.05594	2.0
139.07693	6.5
143.03392	2.3
149.02493	1.9
149.06023	1.1
150.05597	5.6
151.00381	2.0
157.08701	4.9
159.02979	3.5
161.04541	11.4
165.01924	1.8
169.01317	1.4
176.10724	1.5
179.26384	1.2
180.81860	1.2
183.03015	4.1
193.01413	2.4
195.11443	2.0
202.12419	9.7
203.08246	7.8
209.00952	1.9
275.14975	8.7
276.12296	2.5
301.12213	1.6
302.10345	4.3
319.13940	100.0
319.22342	6.1
320.16373	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37236	16.8
61.84484	16.0
61.98815	18.4
63.53694	22.6
70.13458	37.9
72.83931	19.1
76.56219	15.9
91.05510	23.0
93.05129	15.7
101.21220	17.0
102.35466	16.9
110.66850	17.6
129.10327	59.0
164.07146	63.6
171.11385	43.6
185.59915	17.5
200.14867	16.8
218.87416	34.3
233.16599	25.2
319.16574	100.0
319.22562	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13630	11.6
61.98829	100.0
92.92788	19.5
116.92829	24.7
119.94736	61.7
146.96553	17.1
160.84256	17.1
218.86790	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	321.0631
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.66853	1.1
55.76320	1.2
59.01368	3.7
61.01027	2.8
65.99316	1.2
69.39020	5.8
71.01383	44.5
72.99285	1.9
76.57623	1.2
78.95912	6.7
83.44824	1.2
85.01019	8.5
85.02949	7.2
87.00902	1.9
89.02435	2.4
96.96960	2.4
97.02990	1.5
113.02452	11.5
115.00374	40.3
115.02078	28.7
117.00490	2.3
125.02461	1.5
133.01437	51.0
134.01831	2.1
141.00461	2.9
145.03133	2.2
157.03130	3.5
159.01039	15.4
164.89529	2.6
169.03133	2.7
171.01508	3.2
187.04202	7.1
195.00740	1.3
201.02264	2.7
205.05261	5.5
231.03156	15.4
321.06354	100.0
322.06662	5.0
342.40610	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	321.1243
Annotation	p-coumaroylserotonin
Peak:m/z	Relative Intensity
59.01373	4.0
59.25993	2.1
92.18684	2.0
109.97583	2.3
117.03471	6.0
119.05024	100.0
120.05391	3.7
131.03786	5.0
145.02940	24.6
158.06093	18.5
162.05640	11.1
175.08746	46.9
178.94284	2.4
201.06688	15.2
214.86269	2.2
244.77591	2.2
321.12418	79.2
322.12796	6.6
328.04987	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74620	0.6
59.01378	100.0
60.01734	0.6
67.99646	0.5
71.01368	3.8
71.33231	0.5
76.04696	0.6
89.02441	6.1
96.96027	1.3
98.95602	1.8
101.02468	1.8
101.91045	0.6
113.02493	1.7
119.03487	2.7
136.07704	2.7
138.05615	1.6
138.09229	0.7
179.05647	0.8
274.18024	0.7
321.10086	0.8
321.15582	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03430	0.6
59.01380	42.4
63.87914	0.6
70.99449	1.0
71.01383	17.4
72.99298	0.7
73.02942	1.2
75.00851	0.7
75.41846	0.6
83.01389	1.3
84.02157	0.5
85.02954	3.7
87.00887	1.2
89.02447	17.4
95.01397	1.6
101.02448	12.6
109.55936	0.5
113.02434	7.1
113.09726	24.3
114.10069	1.0
119.03497	5.9
120.03905	0.5
124.72832	0.6
127.11282	0.9
127.83483	0.6
131.03529	0.5
141.09224	5.1
143.03529	1.2
143.10774	2.0
155.10805	2.7
159.10265	56.1
160.10625	2.8
201.11353	2.1
253.72960	0.5
321.15530	100.0
322.15891	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03442	0.8
59.01380	100.0
60.01699	1.0
68.32207	0.8
69.28469	3.7
71.01383	45.4
71.55740	0.7
72.99297	2.2
73.02946	1.4
83.01382	3.3
85.02948	8.2
87.00904	1.5
89.02445	43.5
90.02789	1.3
95.01376	3.9
96.96030	1.6
101.02447	30.1
112.28886	0.7
112.94495	0.8
113.01694	1.3
113.02454	17.1
113.09710	1.1
117.03423	0.8
119.03501	21.4
119.04966	1.2
131.03537	1.3
141.09216	14.6
143.03517	1.1
159.10260	5.5
161.04565	1.5
163.04018	1.0
179.05565	1.5
232.74449	0.8
321.15540	97.1
322.04794	1.1
322.15799	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	321.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07660	3.1
50.53141	2.7
52.31204	3.0
59.01362	4.4
69.62875	11.6
80.06822	2.9
93.03458	3.2
95.05013	3.7
106.33600	3.6
159.24094	3.2
177.08701	3.0
195.13901	9.4
223.13448	7.6
224.85460	3.2
233.16606	3.5
275.20148	20.9
293.21249	100.0
294.21558	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	321.2432
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
55.03551	1.9
70.94278	2.2
78.95909	7.2
80.96514	15.7
84.34905	1.8
95.86643	1.6
162.70546	1.8
171.12112	1.9
223.17036	11.1
224.17801	4.9
251.16420	13.4
273.71872	2.1
284.16373	3.4
303.23288	10.6
321.17691	4.1
321.21310	4.6
321.24368	100.0
322.24628	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.2
61.98822	0.8
70.44197	0.8
71.01376	2.0
72.00909	25.4
78.95898	2.3
83.44838	0.9
89.02437	1.7
91.05533	1.8
93.76302	0.9
96.96965	1.1
103.05554	2.2
103.92027	1.1
123.87754	1.0
129.87144	1.0
141.98241	8.6
144.88113	0.8
147.04523	69.6
148.04852	3.4
164.07164	100.0
165.07565	3.8
174.99258	2.2
187.98763	6.7
188.97502	0.8
229.99780	1.6
278.20313	0.9
322.06073	97.4
323.06339	6.5
323.13516	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	322.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07872	4.0
59.01379	86.7
60.86972	3.3
71.01387	45.0
71.44648	4.5
83.01379	5.9
83.31039	3.5
85.02958	12.6
89.02442	42.4
96.96021	4.0
101.02425	22.4
105.03471	5.1
113.02418	16.3
116.05074	19.1
117.03458	6.6
119.03501	14.9
133.02971	9.3
145.07709	12.2
160.04054	42.8
161.02451	10.8
161.04533	6.5
168.95735	3.1
175.04005	6.5
177.01930	100.0
202.05087	20.2
203.03673	4.0
232.06198	4.4
262.07217	27.8
295.06134	28.2
322.05020	7.4
322.09351	45.7
322.15863	22.3
323.05475	63.8
323.15817	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	322.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37278	29.0
60.48694	29.7
62.81613	31.2
70.99541	32.3
100.23456	34.7
113.20939	28.3
124.11969	26.6
154.67125	28.7
211.38431	26.5
279.23279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0283
Annotation	Uridine monophosphate (UMP)
Peak:m/z	Relative Intensity
54.61182	0.4
55.73368	0.4
59.01378	1.3
70.04739	0.5
70.05072	1.0
71.01398	0.5
78.95905	100.0
89.02389	0.5
96.96964	52.2
98.22536	0.5
99.49721	0.5
111.02003	13.3
138.98015	4.7
150.98015	4.5
164.03506	0.8
180.06667	0.6
185.90874	0.5
192.99081	1.0
194.81630	0.5
211.00114	7.9
236.96822	0.5
280.02240	2.5
323.02850	36.3
323.13348	0.9
324.03107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
59.01374	18.9
69.37386	7.6
71.01377	11.4
72.99297	1.7
73.02939	16.9
78.95902	100.0
81.86479	1.3
85.02949	3.0
87.00842	1.6
89.02445	8.8
89.31309	1.3
96.96954	45.4
99.00886	4.7
101.02448	5.1
107.74146	1.4
111.02015	10.6
113.02427	4.0
114.01966	22.6
117.01936	39.5
119.03490	3.5
129.01964	1.6
131.08255	4.1
131.93524	1.6
132.03030	1.9
133.01422	1.9
138.98004	5.0
143.03508	4.8
144.93655	1.4
149.04520	1.8
150.98022	2.5
161.04553	2.3
173.10437	2.7
174.04050	7.6
184.58214	1.3
211.00145	5.7
263.06485	2.0
280.02261	4.2
323.02847	34.5
323.08743	12.9
323.13470	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	323.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.3
65.38191	0.4
68.01419	3.2
69.15487	0.4
70.02974	4.7
70.92001	0.6
71.01384	3.2
72.00885	0.5
78.95895	1.4
83.00114	0.4
84.00928	0.7
85.02950	0.5
86.02480	3.8
89.02446	2.1
96.96004	10.4
96.96947	2.8
99.00873	5.7
101.02435	1.8
102.86327	0.4
105.87936	0.4
113.02454	1.2
114.01968	100.0
115.02304	1.7
119.03503	1.2
120.38010	0.4
122.06087	0.6
124.00393	5.0
126.11940	0.4
129.02017	0.5
134.00433	1.6
150.05487	0.6
152.07179	0.7
156.03087	0.5
159.05669	0.6
161.07240	0.6
163.05161	0.8
164.07402	0.5
174.04077	35.3
175.04599	1.1
189.06668	0.6
217.06126	0.5
225.06447	0.6
245.05670	0.6
251.05664	0.4
263.06689	11.6
264.06784	0.7
323.08835	50.5
323.13266	3.8
324.09198	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	323.125
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
59.01384	60.9
69.35662	7.7
69.36038	6.6
71.01381	11.0
77.19650	3.1
89.02451	12.7
101.02457	10.5
107.19411	3.1
117.03458	3.6
121.02958	5.4
160.06384	15.6
160.24400	3.2
161.07202	58.0
175.08754	40.9
175.22226	3.0
177.01915	3.6
189.06696	100.0
203.08257	47.5
287.05664	6.8
295.06027	5.6
323.05692	25.2
323.12460	40.8
323.94791	3.4
324.12808	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03440	1.6
58.41056	1.1
59.01377	100.0
71.01378	43.7
71.10210	1.3
73.02956	2.0
74.01419	1.0
75.00865	1.2
78.95901	13.7
83.01387	2.1
85.02946	8.2
87.00878	1.7
89.02441	45.8
90.68459	1.0
95.01390	4.6
96.96965	7.2
99.00907	1.7
101.02445	26.7
105.01938	5.0
113.02445	16.5
119.03504	21.8
131.03499	3.9
142.99852	2.6
143.03508	3.7
146.09593	1.1
149.04552	3.3
161.00911	1.5
161.04588	2.3
179.05598	4.3
280.49774	1.1
295.29175	1.0
323.02679	3.7
323.13440	93.7
324.13846	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73128	3.9
53.11068	4.3
59.01378	100.0
70.61603	5.6
71.01397	24.0
78.95908	43.4
83.92424	4.3
85.02919	6.1
89.02439	32.9
93.91623	3.7
96.96017	5.2
96.96951	16.9
101.02453	18.0
111.01987	6.1
113.02447	12.9
119.03478	17.5
136.16051	4.7
161.86192	3.8
323.02740	15.1
323.13394	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01380	100.0
70.81966	3.5
71.01381	39.6
72.99315	3.2
73.65450	1.7
78.15530	1.9
78.95863	2.9
80.20956	1.7
83.01409	1.9
84.21823	1.9
85.02940	6.7
89.01929	3.4
89.02447	47.6
95.01388	3.0
96.96002	4.8
101.02451	25.5
113.02442	14.4
114.01958	16.3
119.03504	21.1
130.32126	2.1
131.03458	3.1
161.04582	2.0
174.04106	4.9
178.79344	1.8
179.05548	5.3
323.09064	7.1
323.13425	89.7
324.13718	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	323.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	47.7
69.13287	100.0
83.81603	12.1
85.57324	15.2
94.06475	13.1
96.96042	17.3
125.48676	13.3
148.07764	15.7
278.27087	15.9
323.15186	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	323.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.98497	23.8
61.21656	23.0
71.51804	27.2
98.21898	72.2
113.02370	37.2
121.78002	26.2
154.42989	26.1
185.11824	38.4
196.91949	30.7
225.52083	25.6
237.66348	27.6
305.17682	73.3
323.18799	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	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.77549	0.5
59.01320	0.5
69.09126	2.1
69.09533	1.0
72.24825	0.4
77.18552	0.4
77.40273	0.4
88.21105	0.4
95.04964	0.6
108.69161	0.5
119.79446	0.4
123.04443	0.9
137.06009	1.2
137.09708	0.8
139.11264	0.6
156.04306	0.6
162.10449	0.9
165.09120	2.0
165.12752	1.7
167.10721	0.7
167.14389	0.6
189.12788	0.7
191.14421	0.6
217.15913	0.6
235.70593	0.4
261.22159	4.4
262.22528	0.5
279.23340	0.5
287.20145	1.3
305.21204	100.0
306.21524	9.1
323.22266	21.5
323.26172	1.1
323.62790	0.4
324.22519	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00406	4.8
58.40453	4.6
59.01366	17.9
61.98818	7.9
66.43428	5.4
71.42096	8.6
96.96003	40.0
164.16953	5.8
171.39325	4.5
195.13866	10.4
213.64569	5.1
213.82069	4.8
265.14792	29.5
277.21686	18.8
295.22766	100.0
296.23056	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	323.2225
Annotation	TOFA
Peak:m/z	Relative Intensity
59.01372	3.3
69.12888	9.5
78.14288	1.3
85.06572	3.0
96.96005	3.3
135.41220	1.4
136.29321	1.4
149.42351	1.6
171.10265	3.8
193.16002	2.1
220.14680	3.2
221.15421	2.6
237.14986	16.2
265.14795	2.0
291.19693	2.6
305.21222	5.6
323.22260	100.0
324.22504	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.91277	1.0
69.13087	2.4
69.13506	4.0
71.05038	0.9
96.96003	1.9
98.22565	2.6
102.91867	1.0
123.04517	1.1
137.06049	2.2
165.12863	1.2
261.22275	3.4
287.20102	1.1
305.21216	100.0
306.21564	10.2
323.16467	1.3
323.22266	32.1
324.22675	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	323.2227
Annotation	TOFA
Peak:m/z	Relative Intensity
51.04627	0.3
59.01373	0.7
61.56366	0.3
69.03442	0.4
69.94041	0.8
69.94428	0.4
71.05022	0.4
81.03459	5.2
83.05022	2.2
97.02946	0.7
97.06540	0.4
98.22066	0.6
98.22636	0.3
99.04512	0.6
109.02947	0.7
110.03738	5.3
111.04534	3.1
111.36127	0.3
113.02444	0.7
123.04503	0.4
125.02447	0.9
126.03222	2.6
130.40884	0.3
138.80458	0.3
154.02753	0.4
154.99765	0.3
155.74368	0.3
158.02196	1.0
195.17557	1.3
197.18990	0.6
223.20618	1.6
235.20676	0.5
251.20180	1.5
251.23766	2.7
261.22107	0.8
279.01401	0.3
279.23294	0.8
305.21213	0.3
323.22256	100.0
324.22601	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	324.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37259	1.3
57.29136	1.5
61.98828	100.0
66.29672	1.4
69.90083	3.9
84.53131	1.4
134.47546	1.4
135.04565	3.2
136.03993	3.7
136.72859	1.5
139.03905	1.8
146.71716	1.4
154.06313	3.6
185.20639	1.5
195.13936	10.5
239.12848	3.0
261.11298	5.7
272.97409	2.1
288.16049	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	324.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	21.5
69.81548	5.3
71.23354	5.7
80.21777	4.8
96.96069	5.9
116.92851	8.1
146.96608	6.5
183.01208	36.8
238.83658	10.5
267.64563	5.2
325.18387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25749	9.0
59.01376	87.8
60.01711	9.4
70.07171	23.9
71.01389	41.3
72.99311	27.6
78.95908	23.6
85.03030	10.0
89.02446	32.9
99.00866	10.1
101.02432	16.8
105.01952	60.3
113.02479	15.1
115.00340	60.0
119.05025	83.1
133.01425	100.0
133.05093	46.8
134.04710	74.3
145.09795	17.9
146.48479	8.8
163.03963	76.4
325.13852	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02254	0.4
59.01376	7.3
69.42812	1.7
71.01379	3.0
73.12188	0.3
78.07655	0.3
80.40263	0.3
89.02439	2.1
89.38181	0.3
95.01343	0.3
101.02432	1.0
105.34492	0.3
113.02444	1.1
114.05626	0.5
117.03468	21.1
118.03802	0.5
119.03575	0.5
119.05036	4.4
129.03386	0.3
133.06577	0.8
134.22572	0.4
145.02957	100.0
146.03293	5.6
159.04541	0.7
161.06067	1.0
163.04007	7.6
166.23514	0.3
187.04044	3.6
205.05069	1.0
265.07080	1.7
325.09283	6.2
326.20316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67326	0.4
59.01371	7.5
66.29711	0.5
69.55615	1.0
69.55933	0.6
71.01382	2.9
78.46798	0.4
85.02947	0.9
89.02443	2.7
91.05407	0.4
95.86813	0.4
101.02439	1.1
113.02444	0.9
117.03467	20.5
118.03835	0.9
119.03563	0.5
119.05025	4.8
145.02951	100.0
146.03326	3.9
159.04538	0.7
161.06067	1.1
163.04001	8.7
187.03983	2.7
205.05051	1.8
265.07111	1.7
285.14789	0.5
293.22330	0.5
315.65393	0.6
325.09265	4.5
326.09564	0.7
344.01517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46597	0.2
57.09939	0.2
59.01381	6.8
62.58699	0.3
69.12318	0.5
69.12715	1.2
71.01389	2.4
74.69576	0.2
85.02959	0.7
89.02444	2.5
95.01382	0.3
101.02430	1.2
108.09338	0.3
113.02449	0.9
117.03470	20.7
118.03770	1.0
119.03584	0.6
119.05028	4.9
133.06551	0.5
145.02959	100.0
146.03293	4.1
157.08711	0.2
159.04584	0.4
161.06082	1.0
163.04015	7.9
164.04376	0.6
187.03995	4.3
188.04443	0.2
205.05051	1.5
235.06143	0.3
242.69627	0.2
265.07224	1.7
285.33051	0.2
310.70273	0.4
325.05725	0.5
325.09305	6.2
326.09555	0.6
327.85330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
57.79555	0.4
58.64846	0.5
59.01377	6.8
61.77119	0.4
69.10914	1.3
69.11325	1.4
71.01380	2.2
78.65562	0.4
87.92446	0.5
89.02431	1.9
95.60686	0.4
101.02477	0.7
104.83961	0.4
112.68625	0.4
113.02419	0.8
117.03468	18.1
118.03783	0.8
119.03497	0.7
119.05029	4.6
145.02954	100.0
146.03278	4.2
159.04558	0.6
161.06090	1.3
163.04024	8.2
187.03981	3.1
194.12495	0.4
205.05101	1.5
205.48869	0.4
235.06151	0.9
241.61060	0.5
250.76740	0.5
261.56396	0.5
265.07132	2.1
325.09253	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01375	0.9
69.46025	1.2
71.01385	3.2
73.02923	1.3
78.77351	0.2
79.21112	0.3
83.01398	0.3
85.02951	1.4
90.33916	0.2
91.05534	2.9
98.22567	0.6
101.02462	1.7
101.03963	5.4
113.02486	1.7
117.03467	3.2
119.05026	100.0
120.05357	4.2
133.02956	1.3
135.04553	0.6
140.60533	0.3
145.02939	1.1
159.02988	0.5
161.02457	5.2
161.04495	1.9
162.02919	0.3
163.04007	4.9
179.03432	0.8
208.99226	0.4
238.80354	0.3
297.07559	2.3
307.12125	0.3
325.06693	1.7
325.09360	4.0
338.58423	0.3
348.93927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
58.18638	0.9
59.01375	3.2
66.12761	0.7
70.67561	1.3
71.01379	3.3
79.57099	0.8
83.01382	2.3
85.02951	1.9
87.00903	1.2
89.02441	1.5
90.86725	0.7
93.03484	1.6
99.00857	4.6
101.02484	1.0
107.05042	2.0
109.02955	6.1
113.02435	2.3
117.03473	1.1
119.05048	2.8
121.02946	8.5
121.06561	0.7
122.03754	2.0
123.04529	2.1
126.12342	0.7
131.05055	2.3
134.03717	2.8
135.04521	9.1
137.76973	0.9
139.04048	1.1
145.02965	6.1
147.03351	0.9
147.04515	17.6
148.05330	4.1
149.02443	2.7
149.06050	5.5
159.04506	8.6
161.02448	1.6
161.06151	1.0
162.03195	5.7
163.04005	100.0
164.04375	3.7
165.05496	1.5
175.04016	5.2
176.04784	17.0
177.05560	20.1
178.05891	1.1
179.03471	1.1
181.05058	4.4
187.03998	17.0
188.04523	0.9
188.13052	1.0
189.05519	1.1
201.05685	0.9
203.03461	1.9
205.05049	45.0
206.05478	2.7
217.05038	1.9
229.04875	0.9
235.06088	2.6
247.06155	1.6
265.07126	5.4
325.09354	1.8
326.19708	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	325.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40140	0.8
59.01375	2.6
70.24799	2.2
71.01384	2.2
74.02469	1.6
78.95896	2.1
84.04541	3.0
89.02435	2.9
101.07187	2.8
109.04086	5.6
125.03516	1.7
127.05148	18.2
128.03540	7.6
132.30833	1.1
135.53116	0.9
145.06189	100.0
145.09830	3.8
146.06497	2.1
153.54268	1.0
172.68752	1.0
275.75272	1.0
284.18744	1.0
325.03442	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	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12844	0.7
59.01379	100.0
61.98827	2.4
70.03493	1.9
71.01392	4.8
72.00925	1.0
73.02945	1.9
83.01379	1.1
85.02966	2.1
88.97609	0.6
89.02471	1.7
101.02436	6.8
105.01949	0.8
105.94019	0.8
107.03659	1.6
113.02489	1.9
119.03577	1.4
119.05027	4.5
120.05456	0.8
124.17580	0.7
134.04732	68.8
144.11958	0.8
147.04543	0.9
161.04578	6.1
163.04002	4.4
164.07137	1.8
186.66600	0.7
265.12918	18.4
266.08997	2.1
266.13412	1.1
325.10782	1.1
326.05490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57983	0.4
51.33598	0.4
70.52551	1.2
79.95748	1.8
91.52515	0.4
97.35230	0.4
113.12321	0.5
119.05017	1.1
150.54160	0.4
170.00441	1.7
180.18724	0.5
183.01201	50.7
184.01910	4.5
197.02763	4.1
198.03456	0.9
216.00989	0.6
225.05890	0.7
264.44766	0.5
325.18408	100.0
326.18759	10.1
346.86029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
61.98832	21.6
69.56638	12.8
69.56978	36.6
121.02962	16.2
160.84209	38.4
173.97112	8.5
246.90060	11.2
249.18585	28.5
275.16525	12.7
293.17627	100.0
307.19058	17.8
325.20316	78.3
325.23752	21.6
325.86047	30.6
326.20746	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.3
69.24255	63.4
82.57832	12.1
93.92904	13.7
97.06612	20.2
98.21897	31.7
121.02955	14.7
160.84245	34.7
171.10268	43.9
193.12245	19.8
209.11972	14.8
211.13345	15.0
264.96667	12.7
295.38284	11.7
295.41644	13.2
307.19006	30.4
322.21240	13.4
325.20163	100.0
347.12183	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
59.01377	1.9
69.03449	1.6
69.55096	1.1
69.55434	4.2
71.01379	6.3
71.05011	3.1
72.02151	1.3
80.02690	1.3
81.03458	2.4
83.05029	5.9
84.02154	3.2
84.65752	1.0
85.02953	1.8
95.05032	2.0
97.06589	4.9
98.21865	1.4
99.04559	1.1
99.08148	4.2
109.06600	2.0
111.08170	1.3
112.05271	1.5
115.07653	2.3
123.08183	2.4
125.06070	1.4
125.09715	5.6
127.07651	13.4
127.11346	1.2
135.08150	2.8
137.09749	1.4
139.07642	4.8
141.09181	1.3
153.09186	13.2
155.10806	3.8
163.11284	5.5
165.12848	2.2
171.10248	19.2
178.09985	3.0
185.11830	14.9
191.10771	1.7
197.11815	14.9
201.11282	1.0
209.11830	72.4
210.12180	4.9
211.13455	2.0
227.12790	1.2
237.15012	2.3
238.12036	4.9
245.19109	3.0
249.31117	1.0
256.13181	4.0
263.20206	1.1
279.19644	1.2
281.21164	1.7
282.52310	1.1
289.18091	11.3
290.18393	1.5
307.19141	100.0
308.19470	8.6
325.20197	52.6
326.20645	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05218	13.8
59.01363	25.8
60.99094	14.7
63.34462	16.1
63.52439	14.5
68.09483	15.0
68.40457	14.5
69.58823	59.6
98.22688	15.5
109.60600	13.9
110.86919	15.6
121.02968	20.3
127.07593	17.6
133.28398	14.0
160.84152	33.8
171.10306	32.9
185.11734	16.5
209.11798	62.9
237.14980	66.3
246.90262	16.1
289.17923	58.1
307.19168	95.6
325.20200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.42933	10.2
59.01359	8.8
69.40273	44.4
87.00826	10.8
121.02950	16.5
127.07625	13.5
160.84215	22.9
185.11792	22.5
197.11769	17.3
199.19249	9.2
209.11887	58.9
224.87634	9.6
307.19193	100.0
325.20248	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03442	7.9
58.00565	1.4
59.01360	6.6
61.00439	1.2
66.72575	1.1
67.01890	1.7
69.03440	4.7
70.68393	2.5
71.01381	3.2
71.05013	8.5
72.01765	1.2
72.57385	1.2
80.02686	1.5
81.03460	1.3
83.05024	5.4
85.06590	2.8
87.04513	3.5
93.03471	1.6
95.05036	2.3
97.02960	6.1
97.06573	6.5
99.92569	1.8
100.93382	1.8
107.05030	1.6
109.06589	35.8
115.92175	1.3
116.92867	2.7
125.06071	3.0
127.07641	3.4
145.52101	1.3
151.11229	1.2
169.12312	6.1
181.12366	5.4
183.13872	3.4
193.12358	3.9
197.11818	64.0
198.12152	4.2
199.13432	6.3
211.13391	40.1
212.13722	2.4
219.13959	1.3
227.12827	3.1
235.13397	5.3
237.14977	6.9
249.14926	3.7
267.15933	1.5
289.18146	4.0
307.19131	5.5
308.18936	1.3
325.20181	100.0
326.20587	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
56.06750	1.4
58.00585	5.7
58.26763	1.2
58.59323	1.4
59.01367	2.6
69.03452	1.6
70.78829	2.0
74.09954	1.5
76.55105	1.3
84.02177	1.9
95.05028	1.9
97.06596	3.1
113.06068	5.1
115.07654	6.3
123.35850	1.2
125.09737	1.8
127.07667	7.1
138.15276	1.4
141.09158	1.5
145.03000	1.3
151.11296	13.5
153.09268	1.3
153.12851	12.6
155.10776	1.5
155.14368	2.4
165.12819	2.7
171.10258	2.7
181.12286	3.7
183.13869	3.7
197.11810	22.9
198.12064	2.0
199.13388	33.0
200.13686	1.9
209.11829	6.4
215.12897	15.6
227.12881	100.0
228.13194	5.2
229.14432	48.1
230.14825	2.8
243.12930	1.5
263.20200	9.2
269.21112	3.1
281.21036	3.8
289.18048	3.9
297.20609	4.4
307.19165	17.3
308.19574	3.0
325.20169	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01379	1.2
61.98822	2.0
69.57825	1.1
70.65636	2.0
87.00867	3.0
92.92803	1.9
97.03217	0.9
110.32887	1.1
116.92847	1.5
121.02924	1.4
149.09718	92.5
150.10052	6.1
163.11284	100.0
164.11589	5.2
183.01201	37.1
184.01982	10.8
185.02310	0.9
197.02695	1.4
216.01022	1.7
268.00726	0.8
325.18311	74.6
325.21729	91.9
326.18634	7.6
326.22076	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	325.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87532	2.5
58.13870	2.4
59.01375	2.8
65.10661	2.4
74.91599	2.5
78.95905	3.0
90.87355	3.0
109.50085	2.7
115.94131	2.6
119.30222	2.7
121.03001	3.7
124.99098	2.5
144.89272	2.9
153.09215	3.3
171.10257	75.4
172.10617	2.9
226.51639	3.1
293.21149	11.0
310.21436	5.3
325.18146	4.9
325.20154	5.6
325.23773	100.0
326.24030	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22337	0.6
55.25152	0.7
57.03458	4.4
60.99305	6.9
65.03950	0.8
68.51512	0.6
71.01359	1.5
71.21581	0.8
72.02164	5.5
83.04996	1.7
87.00866	1.2
93.03432	3.0
97.48910	0.6
98.06110	0.6
109.06555	1.3
109.65897	0.7
119.19752	0.7
127.73107	0.7
145.65913	0.8
178.62321	0.6
183.01187	10.5
184.01859	1.7
246.91483	0.8
253.21744	30.3
254.22084	2.3
263.23788	100.0
264.24112	9.3
280.14252	0.7
281.24872	23.2
282.25278	2.2
325.18423	24.0
325.23883	6.3
326.18546	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.6
61.82822	1.3
61.98815	1.2
62.68541	1.2
70.66709	2.5
71.01373	4.3
72.02168	11.4
76.78236	1.2
79.60942	1.0
79.95740	1.6
87.00880	5.6
94.31973	1.1
114.88921	1.2
125.63487	1.0
149.09721	53.4
150.10063	2.9
154.76306	1.4
163.11288	64.0
164.11621	3.9
183.01198	43.3
184.01984	12.0
197.02766	2.8
216.00922	1.8
237.22223	2.0
253.21794	1.3
263.23840	9.5
265.25345	5.0
281.24869	49.9
281.27991	1.9
282.25153	4.4
307.26413	4.7
325.18323	100.0
325.21762	57.6
325.27206	22.0
326.18982	8.3
326.21942	8.2
326.27795	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	326.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57605	0.2
56.94427	0.2
59.01369	0.6
61.98824	4.8
66.00148	0.3
69.26460	0.6
69.26844	0.6
81.93359	0.3
96.08009	0.3
98.21838	0.6
124.03324	0.3
140.02046	2.8
141.99976	1.0
157.29230	0.3
181.95290	2.0
182.95309	0.4
183.95062	1.5
184.01006	100.0
185.01160	8.0
241.37538	0.3
273.12689	0.3
326.02130	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.5
59.01379	5.8
60.53507	0.3
70.49339	0.5
70.92614	0.4
78.38966	0.5
107.03664	2.1
129.01254	0.4
134.04727	100.0
135.05176	2.1
237.36823	0.5
266.08920	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	326.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	92.6
70.87536	5.1
107.89185	3.2
114.05621	49.6
135.29819	3.1
160.84227	21.5
181.13553	3.9
211.14395	8.2
228.48479	3.8
289.92084	5.1
325.85919	5.9
326.19727	100.0
327.20016	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	327.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84219	1.1
59.01373	1.6
69.24389	7.0
93.59617	1.0
96.46026	1.3
109.02909	2.3
119.05033	3.0
121.02977	2.3
127.12208	1.2
129.03461	2.8
133.02948	2.0
134.03728	3.7
135.04524	11.3
147.04520	14.2
161.02516	2.7
162.03214	51.1
163.04007	100.0
164.04375	4.8
165.05576	26.0
168.91394	2.8
173.06038	1.4
194.00465	1.1
219.32724	1.4
250.97659	1.3
297.07669	4.9
312.09824	1.9
339.51901	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	327.0874
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
63.63324	1.0
63.79540	1.1
69.13704	7.0
93.03462	31.5
96.99309	6.5
98.22605	2.8
117.03484	2.0
119.05026	27.4
120.05345	1.5
123.04504	1.2
130.04225	1.5
131.05017	8.1
133.02974	5.5
142.40254	1.1
143.05031	22.9
145.02975	2.9
145.06648	1.9
159.04506	1.2
163.04002	9.7
171.04559	2.4
209.03799	1.3
211.07716	6.8
221.09714	2.3
223.07657	2.3
230.04759	1.1
235.07616	4.5
237.09206	10.1
248.76826	1.1
265.08731	21.8
266.09036	1.5
283.09818	6.6
309.07687	4.1
310.07718	1.1
327.08731	100.0
328.09045	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	327.1084
Annotation	Androsin
Peak:m/z	Relative Intensity
51.24056	0.9
54.83067	0.9
57.03421	1.2
58.00621	0.8
59.01380	46.9
61.67906	0.8
69.33200	2.2
69.33610	2.5
70.63638	0.7
71.01379	20.9
72.99293	2.0
83.01407	1.4
85.02948	4.4
89.02444	17.4
93.03459	2.4
95.01392	1.5
98.22601	1.8
101.02437	13.5
103.05536	2.5
113.02464	7.9
114.05594	3.3
115.97141	0.9
117.03500	1.3
119.03511	9.5
119.05013	7.8
143.03433	1.0
143.05067	1.8
145.02971	4.1
146.03290	2.3
147.04526	100.0
147.47496	0.8
148.04880	4.5
163.04030	0.9
165.05562	12.8
179.05557	1.4
197.02705	1.0
198.03009	2.0
237.09158	1.1
249.09627	0.9
265.08817	1.6
283.09692	1.1
327.11032	70.0
327.21045	2.0
328.11493	6.1
328.21393	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81733	2.4
56.94467	2.5
59.01380	45.8
67.16074	3.2
70.64730	5.6
71.01392	28.2
78.22252	2.7
85.02971	5.1
89.02434	30.9
91.05524	10.9
95.05010	6.2
101.02448	9.2
103.05533	3.0
105.03460	11.9
106.72219	3.0
113.02439	8.7
119.03516	17.5
119.05004	12.5
127.05148	2.9
129.03442	7.9
147.04527	100.0
148.04883	5.0
162.83904	11.2
165.05571	65.6
166.05836	2.9
179.05524	5.2
298.14194	4.0
327.48123	2.8
328.21490	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	327.1238
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
69.50037	3.2
93.03442	2.9
109.02928	1.8
109.07504	0.7
118.81008	0.8
119.04974	1.7
121.02951	21.3
135.04552	2.3
145.02968	1.3
147.04510	6.9
158.03700	1.9
159.04515	1.7
163.03996	4.4
168.91406	0.9
174.03215	0.8
175.04005	19.4
176.04532	0.8
179.08641	0.9
187.04027	1.3
190.06339	9.0
191.06911	1.0
195.08141	1.5
196.05360	1.2
196.11249	0.8
197.06094	1.6
203.07187	1.7
205.06560	1.6
207.08138	2.4
209.06082	2.8
211.03969	0.9
211.07658	1.5
213.05618	1.2
221.06198	3.1
222.05142	5.1
223.07590	5.5
225.05655	3.5
227.06935	0.9
232.05229	0.8
233.06046	4.7
234.06668	1.4
235.03949	1.1
235.07553	1.9
237.05611	2.3
238.06343	0.8
239.07133	6.4
240.04292	1.6
240.07661	1.1
241.05009	2.1
241.08675	2.1
248.96426	0.8
249.05548	4.3
250.06303	4.3
251.07100	11.4
252.07509	1.8
253.05064	1.1
253.08736	2.5
254.05809	1.9
258.15945	0.7
261.05475	6.1
262.06262	2.4
263.07175	1.5
264.04437	1.6
265.05246	0.8
265.08484	1.0
266.05859	1.0
267.06601	11.4
268.07443	4.7
269.08151	21.6
270.08490	2.2
277.05081	1.7
278.05951	2.0
278.09338	1.0
279.06604	20.2
280.07156	3.2
281.08047	0.9
282.08829	2.0
283.09784	5.1
293.08209	2.3
294.09003	7.5
295.09589	1.6
296.06879	2.6
297.07675	97.1
298.08026	7.6
309.11313	23.0
310.11758	2.9
311.09109	4.3
312.10019	53.3
313.10269	5.4
327.12354	100.0
328.12775	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01362	4.8
59.61048	2.3
62.70280	2.8
66.55144	2.7
80.78973	2.8
95.30619	2.7
96.83784	2.9
121.02913	2.8
126.90385	5.4
129.09215	34.2
141.09195	7.9
162.83829	3.5
163.57855	3.0
168.91428	10.4
171.10269	8.9
185.11841	48.3
186.12048	2.7
186.95575	3.3
197.11818	31.5
209.11815	3.6
244.91568	3.7
259.38354	3.0
276.78693	3.1
291.19553	8.3
300.60651	2.9
309.20712	11.4
326.78613	2.8
327.21756	100.0
327.85959	4.7
328.22046	8.9
338.36826	2.9
349.90302	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33488	0.7
55.01880	1.0
57.03434	1.5
58.00595	1.2
59.01371	2.2
64.53315	0.9
69.03452	0.9
70.75238	0.9
71.01355	0.8
71.05017	2.3
73.02957	1.4
77.91788	0.7
80.02644	1.0
84.02163	12.7
85.02955	2.2
97.06589	1.9
99.08161	0.9
111.08146	2.5
113.09702	2.5
113.12869	0.8
114.46362	0.8
123.08141	2.2
125.09727	5.3
127.11284	6.0
129.09235	1.5
135.08145	1.4
137.09712	14.9
141.09241	2.6
148.03580	0.8
153.09229	6.3
155.10776	32.1
156.11047	2.2
162.36369	0.9
169.12354	1.2
171.10263	60.8
172.10596	3.2
185.11816	4.4
193.12274	1.3
196.68394	1.0
197.11806	7.2
201.11310	7.4
209.11783	1.7
211.13419	2.7
213.11311	3.4
217.10774	3.0
221.11885	1.2
229.14510	1.5
239.12912	1.6
247.20718	1.0
291.19626	3.0
309.20700	6.2
327.21756	100.0
328.22098	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00591	1.4
59.85966	0.6
69.15742	3.1
69.84653	0.5
85.02922	0.7
87.89564	0.5
92.85934	0.6
97.06580	1.9
97.36842	0.6
98.43620	0.6
100.02198	0.5
115.07657	1.2
153.12836	2.0
155.14415	4.0
159.61166	0.6
171.10272	1.3
183.13927	7.0
190.85176	0.6
197.11868	1.0
199.13408	5.7
211.13321	4.6
227.12849	2.4
229.14435	100.0
230.14795	7.2
269.17538	1.1
291.19684	1.3
309.20731	9.4
310.21024	0.8
327.21829	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.45903	0.2
55.01866	0.3
57.03444	2.0
57.81114	0.2
58.00581	0.2
59.01382	1.2
69.03445	0.8
69.18147	1.2
71.01376	1.5
71.05016	0.5
72.99312	0.5
73.02946	0.6
75.00869	3.0
80.02629	0.2
81.03439	0.4
83.05029	1.2
83.57629	0.2
84.02155	0.6
85.02950	6.4
87.00884	0.3
93.03480	0.2
95.01366	0.6
95.05035	1.4
97.02948	0.4
97.05967	0.4
97.06583	5.3
98.06931	0.2
109.06598	0.5
110.03721	0.6
111.04455	0.2
111.08133	0.2
113.02454	1.2
119.08678	0.3
123.04636	0.3
123.08160	0.4
125.09740	1.5
127.11288	2.0
135.08139	0.2
137.09721	0.9
142.43791	0.2
143.10664	0.2
148.10190	0.2
149.09711	0.2
151.11279	0.3
155.10719	0.8
155.14392	0.7
163.03967	0.3
163.11299	0.2
164.04652	0.2
165.12814	1.4
167.10783	0.4
167.14348	1.7
171.08760	0.5
171.10262	10.0
172.10597	0.6
175.11269	0.2
177.12845	1.7
181.12346	0.6
183.13896	5.7
184.14178	0.3
185.11823	2.1
191.10931	0.2
193.12338	1.9
195.13951	0.4
197.11815	0.9
199.13405	0.4
201.11456	0.3
203.10741	0.9
209.11807	2.6
211.13393	29.4
212.13757	1.7
219.03709	0.2
221.11821	5.1
222.12161	0.4
227.12898	0.5
229.14435	16.1
230.14749	1.1
239.12860	2.4
247.20651	0.6
273.18686	0.4
290.53281	0.2
291.19650	3.4
292.19714	0.4
309.13443	0.2
309.20728	1.2
327.14478	5.4
327.21741	100.0
328.14911	0.4
328.22070	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.01644	0.5
57.03438	2.3
59.01385	0.9
61.37947	0.5
69.03456	2.8
70.74976	1.1
83.05048	0.8
85.02948	11.4
86.03255	0.5
90.60193	0.6
95.05006	0.8
97.02957	1.9
97.06568	2.7
101.42219	0.5
113.24722	0.5
119.08643	0.8
125.09699	1.6
127.11270	1.7
137.09731	3.6
155.10829	0.7
171.10262	27.0
172.10529	1.3
177.12726	0.5
183.13893	3.0
185.11858	1.1
188.51921	0.6
193.12337	1.2
201.11356	1.1
202.22635	0.6
203.98930	0.6
209.11725	1.0
211.13385	13.6
212.13753	0.9
221.11810	1.9
222.08203	0.5
229.14450	8.0
239.12817	1.5
291.19650	1.4
309.20840	0.7
327.21729	100.0
328.22034	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.0
58.00583	1.7
59.01382	6.2
63.57681	0.4
66.95612	0.5
69.03455	1.6
71.00619	0.7
71.01377	1.3
73.02947	0.5
83.05011	0.8
83.62912	0.5
84.02174	0.5
85.02943	1.5
91.08640	0.5
97.06602	1.3
97.27411	0.5
99.60503	0.5
101.50303	0.6
111.08166	5.0
119.08678	1.3
123.08301	0.5
125.09706	1.3
127.07646	1.4
127.11299	1.0
135.86530	0.5
137.09734	6.0
151.11223	0.6
153.12897	0.8
155.10745	1.1
165.12897	0.6
169.12405	3.5
171.10283	21.3
172.10614	0.9
181.12373	1.3
183.10388	0.5
183.13870	1.4
185.11867	4.0
197.11835	26.3
198.12163	1.7
199.13408	3.7
201.11353	4.3
206.46059	0.6
209.11850	2.2
211.13412	4.8
213.11462	0.5
221.11853	2.0
227.12959	0.7
229.14464	1.5
239.12883	1.6
239.16495	1.2
240.13039	0.5
291.19696	3.3
309.20737	4.9
327.21759	100.0
328.22098	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03442	2.7
58.00591	1.4
59.01385	3.5
61.98824	0.7
69.03494	0.5
70.46693	0.6
71.60509	0.7
81.30450	0.5
86.63241	0.6
87.04508	2.2
89.99859	0.5
97.06568	1.4
99.74371	0.5
103.67442	0.5
109.06619	0.6
111.08167	5.5
123.83830	0.6
127.07692	0.6
145.38264	0.6
162.83881	1.2
167.10757	0.8
168.91432	1.4
169.12402	4.0
171.10303	0.7
181.12393	1.5
195.13916	2.0
197.11823	29.2
198.12141	2.4
199.13406	5.1
211.13400	4.7
221.15547	2.0
229.14578	0.9
239.14125	1.1
239.16547	22.4
240.16882	1.5
240.92719	0.6
276.24695	0.6
291.19638	5.2
292.20212	0.5
309.20810	3.7
327.21756	100.0
328.22104	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	49.7
70.74094	37.0
83.01395	28.4
83.05031	35.8
83.90553	19.6
94.92529	18.3
97.06612	29.9
104.77006	17.7
106.76103	20.6
118.71017	18.4
121.02976	16.7
123.08174	29.2
125.09715	87.0
136.61316	17.8
139.11267	50.5
162.83989	54.1
163.11334	32.1
165.12869	41.8
167.10764	81.9
186.00743	18.4
209.11754	100.0
217.67339	17.1
247.20729	42.1
265.10159	18.1
291.19620	88.1
300.05490	18.6
327.21616	21.6
327.85815	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03426	2.0
59.01360	1.6
61.12213	0.9
69.03454	1.5
71.01395	0.9
71.05021	1.5
72.85517	1.0
73.02946	4.2
85.63041	1.1
97.06578	2.5
98.48683	1.0
99.08142	3.1
110.40356	1.0
112.05273	2.1
115.07671	1.6
118.51812	1.1
119.85204	1.0
125.09691	2.4
127.07708	2.3
127.11279	1.9
129.09221	33.7
130.09595	1.4
135.95251	0.9
139.11211	1.1
141.09203	11.4
141.12813	1.7
150.01727	1.5
155.10774	18.7
155.18353	1.2
162.83919	2.8
165.12827	1.7
168.91391	2.4
171.10286	16.5
172.10683	1.4
181.12314	1.0
183.47447	1.3
185.11833	46.0
186.12141	2.4
186.95576	1.0
197.11821	37.5
198.12186	2.4
203.10815	1.1
209.11839	6.8
227.12920	1.5
237.00902	1.1
247.20651	2.4
281.02731	1.5
283.04346	1.6
291.19650	15.8
309.20715	30.9
310.21130	2.3
327.21750	100.0
328.05832	5.5
328.22128	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.85407	6.1
59.01373	86.6
60.31648	5.4
69.94237	14.0
69.94578	7.0
75.00875	13.3
78.32537	5.6
98.22664	6.6
105.84734	5.6
106.95451	5.6
143.28897	6.2
150.57179	6.5
185.98323	7.7
253.25447	8.6
290.58200	7.3
297.63101	6.2
299.26001	36.4
327.18698	7.3
327.29034	100.0
328.29395	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	328.0451
Annotation	cAMP
Peak:m/z	Relative Intensity
58.54042	0.1
59.01385	0.2
59.24342	0.1
69.99524	0.1
69.99847	0.2
70.40777	0.1
71.01369	0.1
78.95909	0.2
79.07940	0.1
88.04031	0.3
89.93026	0.1
92.02549	0.7
98.21775	0.1
100.84642	0.1
104.82182	0.1
107.03631	3.6
107.66804	0.1
122.02503	0.1
129.99989	0.1
130.08736	0.4
134.04727	100.0
135.04210	0.2
135.05173	2.3
141.49524	0.1
159.01427	0.1
163.02502	0.1
165.49394	0.1
168.05176	0.1
168.62857	0.1
170.06689	0.2
175.02429	0.2
186.06218	0.2
187.00920	0.1
188.07811	1.0
189.07884	0.1
192.99016	0.2
202.09370	1.2
254.05167	0.2
263.41577	0.1
271.40512	0.1
286.07751	0.7
310.70416	0.1
328.04465	3.8
328.08322	0.2
328.15387	0.2
329.04807	0.2
329.21823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42074	1.6
58.02965	3.5
59.01376	10.3
66.03513	1.8
66.95857	2.0
69.54880	5.6
70.02975	2.3
71.01385	5.1
72.00905	3.2
73.04086	1.8
74.02476	51.7
82.02988	20.7
82.06638	4.5
83.02558	1.9
84.04577	2.6
86.02497	6.8
89.02431	3.4
94.03027	2.0
96.04549	3.5
98.02483	1.9
102.05575	3.5
104.03534	45.6
106.01678	1.6
107.02531	3.5
109.04109	9.8
110.02494	2.4
111.03223	2.0
112.02797	2.6
112.04062	6.2
113.03596	1.9
114.05605	49.9
115.00433	1.6
115.05935	1.7
121.02936	1.8
123.03291	1.8
123.04616	1.6
124.04067	2.1
126.05536	1.7
126.09296	8.5
127.05141	34.4
128.03531	3.4
129.10344	2.7
130.08749	14.9
136.11334	6.8
138.02455	1.6
139.08800	2.7
140.07198	6.5
141.06715	23.2
141.10367	1.8
143.11887	10.8
147.04526	2.4
148.04910	3.0
150.89291	1.6
152.10849	5.1
153.06714	6.0
153.10306	10.1
155.11922	7.9
165.05569	5.1
165.10358	4.0
166.06000	6.5
167.03452	2.2
169.08385	2.2
169.09816	18.6
171.07912	1.8
179.11917	12.1
180.10301	25.2
183.15108	4.1
192.00713	2.6
193.01048	3.4
194.01680	2.5
195.07730	9.4
195.11365	3.1
197.12918	10.0
213.12497	10.1
222.12451	4.0
223.10863	50.7
223.14328	3.1
224.11215	2.5
235.02084	2.0
236.14116	7.1
240.17183	2.1
241.11914	22.3
250.04607	2.0
254.15118	20.7
255.15292	2.0
265.31351	1.9
266.15091	31.7
267.15472	4.9
280.13153	2.4
284.16110	21.9
298.14081	78.7
299.14435	4.4
310.14218	6.0
313.05435	3.4
328.15192	100.0
328.18649	11.1
328.21838	13.9
329.15497	7.3
329.22125	2.7
335.60028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68000	1.4
59.01379	39.6
61.98825	2.3
69.99054	2.9
78.95906	5.5
96.96014	14.5
98.95589	1.5
98.99412	1.4
115.02502	1.7
115.17193	1.2
117.00448	3.8
123.92293	1.3
136.94008	6.6
138.93735	10.7
141.00435	2.4
143.01997	4.4
156.99765	1.5
159.01492	53.7
160.01637	3.8
169.00026	2.2
170.97891	1.9
178.95068	2.1
185.01190	8.3
186.00627	9.4
187.00983	100.0
188.00656	10.1
194.97354	1.6
196.94202	2.3
198.99469	2.8
201.02539	13.2
208.94200	2.9
214.14098	1.3
238.95441	1.5
241.00581	7.5
247.87003	2.8
256.96326	7.9
257.36099	1.8
257.90161	2.5
276.89282	2.6
287.01019	6.3
287.85013	1.5
308.34952	2.7
329.02243	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	329.085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29605	0.7
59.01371	3.5
61.98829	100.0
69.58800	1.3
69.59190	1.6
71.01379	1.9
72.99316	1.0
78.95910	1.1
84.04548	1.2
87.05671	1.1
88.04031	3.6
89.02422	0.7
109.04002	0.8
117.00465	1.6
121.02960	0.8
122.06138	1.3
124.00356	1.1
127.05146	1.1
128.03549	2.6
130.08723	1.8
134.04733	2.6
135.05128	1.7
141.00450	0.8
145.06233	1.8
145.09822	1.1
150.05627	1.6
159.01495	2.1
164.07179	0.7
167.03586	1.3
169.65286	1.0
170.97911	1.6
183.11369	1.4
187.01010	3.7
188.97255	1.3
201.12468	1.0
241.00647	2.6
245.52859	0.7
269.10129	0.9
274.99292	1.0
287.01215	2.6
312.11047	0.8
329.09674	0.9
329.18387	3.8
329.21802	2.0
330.04895	1.6
330.16791	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	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.03431	0.9
59.01366	2.2
69.37176	3.2
69.51762	0.7
81.03449	5.0
83.01391	3.3
85.60054	0.6
95.05045	1.1
97.02964	0.8
98.22598	1.4
99.04520	1.9
108.54839	0.6
109.02937	0.9
110.19617	0.6
121.02981	4.6
123.04523	39.7
124.04825	1.5
125.02422	5.4
135.04533	1.1
137.02464	7.0
139.03899	1.0
139.86044	0.7
149.02419	1.6
151.00357	2.0
161.06061	0.8
163.03976	1.0
165.05516	0.8
167.03493	100.0
168.03856	3.7
171.10272	4.1
175.00400	0.9
179.03461	0.8
181.05066	2.2
191.03485	22.7
192.03839	1.6
195.13747	0.7
209.04558	10.2
221.04573	2.7
311.08960	1.0
328.21301	1.0
329.08710	5.6
329.21439	1.7
330.22839	27.9
343.40527	0.7
351.29810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.27736	0.8
59.01381	5.7
61.98823	1.7
69.22385	3.8
71.01374	2.7
72.99311	1.1
73.04055	1.5
74.02449	2.0
78.95879	1.5
82.06629	1.0
85.02941	0.8
87.05628	1.8
88.04040	28.4
101.07193	1.2
108.02171	54.0
108.04529	1.0
109.02522	1.0
115.08778	1.3
123.04523	23.9
127.05135	2.5
128.03545	1.2
129.10324	1.6
130.08705	3.4
131.08298	0.9
140.07210	1.7
143.11917	1.3
143.64536	0.7
144.11395	0.8
145.09830	2.1
152.01149	37.0
157.13451	4.9
167.03491	100.0
168.03783	4.4
172.48813	0.8
180.10335	4.4
183.11188	0.9
188.97141	2.0
196.14586	1.9
197.12895	1.0
201.12422	2.1
214.15602	1.2
223.10799	2.1
230.98196	1.5
240.13501	2.1
268.16623	0.9
286.17664	1.5
312.15518	3.4
317.73093	0.9
317.96457	0.8
329.09018	4.0
329.18204	15.5
329.21753	3.9
330.04907	1.1
330.16513	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	329.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41705	0.4
61.64058	0.4
62.13148	0.5
62.17139	0.5
62.40249	0.4
65.54454	0.4
67.60490	0.4
70.78010	0.4
79.00468	0.4
91.05540	0.5
101.03942	0.7
108.02197	0.6
117.03440	0.6
119.05030	6.0
121.41236	0.4
129.03470	8.0
129.46432	0.4
130.04251	1.3
134.03770	0.7
135.04527	47.0
136.04837	1.7
145.02946	3.6
146.03763	2.3
147.04523	45.3
148.04836	2.1
163.04016	3.9
164.04787	11.5
165.05566	100.0
166.05876	4.5
171.58389	0.4
299.09241	1.4
311.09235	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	329.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
60.30862	0.5
68.59011	0.5
69.61159	1.0
69.61491	1.2
78.57505	0.5
81.75851	0.5
101.03941	0.7
103.05519	0.5
119.05029	4.4
120.46872	0.5
121.02930	0.7
129.03464	8.8
130.04234	0.8
134.03758	0.5
135.04520	40.6
136.04837	1.9
136.72528	0.5
145.02911	3.6
146.03860	3.0
147.04520	48.2
147.89647	0.6
148.04851	1.7
163.03999	3.1
164.04779	9.7
165.05560	100.0
166.05905	4.5
226.55112	0.5
299.09152	1.3
301.47253	0.5
311.09354	0.8
330.15057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Confusaridin
Peak:m/z	Relative Intensity
59.01348	0.6
59.30564	0.3
61.71674	0.3
71.45540	0.2
83.81761	0.3
86.60493	0.3
86.63322	0.3
93.03443	0.5
108.02192	0.7
109.02956	3.9
115.12831	0.3
121.02986	0.5
122.03705	0.4
123.01901	0.3
123.04528	1.4
135.04506	0.8
136.01646	0.9
137.02443	100.0
138.02803	3.5
143.05095	0.3
147.04527	0.5
152.04797	3.9
159.04518	3.9
161.06111	2.3
163.03990	1.3
167.07118	4.6
171.04440	0.3
177.05515	0.3
189.05539	1.9
196.00291	0.3
201.14047	0.3
212.46362	0.3
219.69131	0.3
268.07352	0.5
269.08279	0.6
299.09302	0.4
329.10287	36.8
330.10611	3.3
347.11554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53849	0.9
57.04765	1.1
59.01379	100.0
59.77851	0.9
71.01379	3.8
73.02930	1.4
74.02493	1.1
83.01403	1.2
87.00871	1.1
89.02479	1.1
95.01443	1.1
96.00928	5.1
101.02447	3.9
109.03043	1.0
113.02440	1.9
113.03582	2.6
116.07175	4.2
119.33418	1.0
119.41757	0.9
125.02424	1.1
130.08742	8.2
134.64940	1.1
141.01892	1.0
143.11923	2.3
155.08272	1.7
161.04605	3.8
167.03493	27.7
167.04877	1.9
168.03847	1.8
171.15115	1.2
183.11418	1.2
222.07935	1.1
242.18761	1.2
269.10294	4.1
282.13177	1.5
286.17697	7.2
295.13031	2.1
312.15616	1.3
329.08963	4.1
329.22598	4.9
330.19806	1.6
330.23096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
52.42438	0.3
57.43304	0.3
59.01373	0.6
69.37341	0.3
71.08238	0.5
77.97876	0.4
93.03480	0.8
105.03455	0.7
108.02169	0.9
109.02909	0.8
115.05561	0.8
119.05006	0.6
121.02957	11.3
121.03850	0.6
122.03758	4.5
123.00890	1.0
123.04506	1.4
124.01665	1.0
130.04257	0.6
131.05055	2.2
134.03741	0.7
134.96692	0.4
135.04510	0.7
136.01640	0.5
136.05278	2.7
137.02449	0.9
137.06039	1.5
138.03258	0.3
143.05057	2.2
145.02960	1.8
145.06567	1.1
146.03745	0.8
147.04521	9.1
148.05217	0.4
149.02458	2.0
149.06096	0.6
150.03238	6.0
151.03897	0.6
153.05579	0.9
158.03728	11.1
159.04515	34.3
160.05290	84.3
161.06076	30.9
162.06404	1.6
163.04005	6.0
164.04814	7.0
173.06076	9.7
174.06837	3.2
175.07632	58.4
176.04794	1.6
176.07985	3.4
177.05563	11.9
178.06342	28.0
179.06688	1.5
191.07097	1.0
192.07904	10.3
193.08694	6.9
265.70547	0.4
281.11887	0.4
284.10532	0.4
299.09549	0.3
299.12878	1.0
313.35556	0.4
314.11749	1.7
329.13910	100.0
330.14267	10.1
337.49026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25412	4.7
57.01974	4.0
57.03437	4.4
58.35964	3.8
59.01371	15.1
61.98816	4.5
65.27812	3.9
67.01913	4.5
69.78915	11.7
69.79260	7.2
83.01385	80.0
83.05032	6.2
85.02938	7.0
101.02438	4.3
131.86536	4.5
165.12881	11.6
168.65211	4.9
171.10265	23.7
183.13908	19.5
185.06296	4.4
193.12312	34.7
211.13379	100.0
212.13794	8.7
227.12845	11.3
237.11305	4.4
251.12837	9.4
255.12437	46.1
285.20782	9.6
297.04013	24.7
326.72720	4.8
328.22202	5.4
329.16037	71.3
329.22549	25.3
330.16168	8.4
330.22980	4.3
330.26486	10.4
344.73138	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	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.4
59.31826	2.3
61.79156	2.4
83.01386	76.1
83.05040	3.1
85.02940	3.9
98.21854	8.1
113.20602	2.6
116.92880	3.7
125.09735	4.3
147.22569	2.3
166.42880	2.4
171.10252	22.5
175.11328	3.3
185.11816	3.2
193.12323	33.9
211.11377	5.3
211.13393	100.0
212.13687	5.6
237.11304	7.1
255.12354	46.9
321.21082	2.5
329.16010	63.7
329.19232	2.5
329.22980	4.8
330.16479	4.8
348.07635	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	329.2331
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
54.57426	0.8
57.03453	0.9
58.02428	0.8
66.16500	0.9
70.68198	1.5
71.09221	1.0
85.02948	0.8
99.08147	5.6
125.09702	0.9
127.11318	3.3
133.07848	0.9
155.10770	1.1
155.14331	1.3
156.17935	1.0
165.12895	0.9
167.14331	1.7
171.10278	4.1
181.31317	0.8
183.13965	4.8
193.12381	1.7
209.11900	1.5
211.13388	30.8
212.13693	1.9
229.14455	16.9
265.08163	0.8
293.21225	1.1
329.23315	100.0
330.23749	4.9
345.55585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
58.00587	1.5
59.01380	3.5
64.18895	0.7
65.54897	0.7
69.21926	0.7
70.99237	0.8
89.88960	0.7
99.08152	7.6
106.21136	0.7
111.87465	0.8
127.07623	1.3
129.09229	7.7
169.12320	5.9
169.38550	0.7
181.12320	4.5
183.13910	1.3
193.12341	1.3
197.11861	2.3
199.13383	21.6
200.13817	1.9
211.13385	11.8
215.94948	0.9
227.12892	1.0
229.14397	0.9
247.89195	0.7
250.13397	0.7
275.20514	0.7
293.21185	2.0
311.22195	2.8
313.55469	0.8
329.23318	100.0
330.23633	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	329.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.2
59.01371	4.9
62.31505	0.5
63.94125	0.5
69.16129	2.4
86.33010	0.5
88.23663	0.4
96.55550	0.4
97.06612	0.8
99.08153	6.1
113.09652	0.7
127.07577	0.9
129.09221	6.0
153.12808	0.7
167.10797	0.6
169.12338	5.7
170.22818	0.5
171.10277	1.1
181.12343	3.9
183.13902	1.3
193.12411	1.4
197.11850	1.7
199.13388	14.2
200.13820	1.1
201.11368	0.5
211.13379	9.2
212.13832	0.5
220.80672	0.5
220.91403	0.6
227.12904	1.4
229.14377	1.3
293.21286	1.9
299.12933	0.6
300.13406	0.7
311.22238	2.4
314.15286	0.6
329.23315	100.0
330.23676	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03440	2.3
57.89796	0.6
63.49756	0.6
70.56170	1.1
71.04984	0.7
78.43534	0.6
98.21964	0.7
99.08152	7.6
101.12267	0.7
125.09754	1.2
127.11295	6.7
137.09700	1.0
139.11295	20.1
140.11639	1.1
155.10748	0.7
157.12300	1.8
171.10277	43.2
172.10649	1.7
177.55673	0.7
183.13994	0.7
201.11482	0.9
211.13390	5.1
212.13779	0.8
229.14447	3.2
293.21210	1.3
302.33554	0.7
329.23322	100.0
330.23627	10.2
350.58432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03429	0.8
59.01371	0.6
69.03449	0.5
69.21161	0.7
69.21566	0.8
71.01389	0.3
71.05013	0.4
72.48686	0.2
74.81524	0.2
75.27448	0.2
83.05030	0.7
85.02983	0.3
97.06567	0.6
98.22597	0.6
98.32018	0.3
99.08157	5.2
108.02157	0.3
113.09673	0.2
125.09716	1.5
127.11293	2.3
129.09209	0.5
153.09184	0.3
155.10736	0.3
155.14394	0.8
165.12814	0.6
167.10748	0.4
167.14397	1.8
168.09050	0.3
171.10275	2.9
183.13892	6.2
185.11757	0.4
193.12323	2.5
199.13409	0.7
207.81531	0.3
209.11839	1.8
211.13390	35.6
212.13719	2.1
221.09926	0.3
229.14432	18.8
230.14813	1.2
285.14783	0.3
293.21277	0.7
311.22162	0.8
319.07700	0.2
329.23315	100.0
330.23669	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	330.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
59.01375	12.6
66.03461	1.8
67.01894	1.3
68.01418	5.2
68.99814	15.3
69.88348	2.1
69.88717	2.0
70.02948	1.1
71.01379	6.9
74.02470	1.3
78.95903	10.6
82.02984	3.9
83.01369	2.7
84.00901	2.5
85.02973	1.6
86.00058	1.2
87.00871	10.1
88.04025	2.8
89.02441	2.0
94.02979	5.5
96.00946	4.5
96.04571	5.6
96.96954	2.7
96.99303	8.0
97.02904	1.2
98.02477	1.8
98.22601	1.3
99.00883	9.4
101.02412	2.1
107.03768	1.5
108.04597	1.2
110.02484	6.3
112.00412	12.6
113.02421	2.3
114.01936	1.7
121.05355	1.4
122.02470	3.7
122.06117	17.2
123.04520	5.6
124.00407	17.7
124.04009	4.4
124.98801	2.1
125.02462	6.5
126.01973	7.1
127.00366	6.4
130.08702	3.3
134.04730	5.1
134.06111	2.2
135.03207	1.3
136.07678	5.9
137.02333	0.9
138.01955	13.1
138.05679	1.1
140.03535	8.5
145.09793	2.8
150.01997	1.4
150.05605	32.2
151.04005	21.2
151.05873	1.9
151.99858	1.9
152.03566	2.2
152.07130	4.0
157.01418	2.8
159.02998	4.1
161.04578	1.9
162.05582	1.0
166.01433	3.2
168.03018	21.7
168.06641	1.6
169.05067	8.3
173.00826	1.1
174.99251	2.3
176.07162	2.5
176.18777	1.0
184.02487	10.2
186.04082	14.1
186.12582	1.2
193.01523	1.2
195.00621	2.5
196.02518	2.7
198.04099	6.3
199.04405	0.9
210.00436	1.8
211.02509	1.3
226.03555	5.3
228.37373	1.4
240.96614	1.5
242.03128	4.6
257.16046	1.0
270.02545	25.0
301.15289	1.5
312.10886	15.5
329.21899	3.7
330.04633	100.0
330.11526	14.8
330.22366	2.2
331.04742	6.6
331.16077	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	330.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97555	3.1
59.01377	34.0
69.30293	6.3
71.01377	16.7
74.02473	5.7
82.02972	2.0
84.04567	1.6
85.02953	3.6
87.05643	2.1
88.04044	19.3
89.02443	12.9
98.02471	2.3
100.04021	1.3
101.02452	10.8
101.07217	2.9
102.05563	1.5
104.03520	1.5
107.03748	1.4
112.04050	1.6
113.02456	4.5
116.07185	1.9
119.03491	5.6
122.06126	12.6
127.05128	6.3
128.03540	10.1
129.10309	2.8
130.08734	25.5
138.05580	9.2
145.06181	5.0
150.05597	100.0
151.05931	5.1
152.05968	1.4
152.07169	1.8
155.08270	2.5
155.11929	1.3
157.13457	4.7
164.07138	1.3
167.05699	1.3
168.03925	1.4
168.06641	3.4
174.01649	1.4
179.05406	1.1
179.11890	1.3
180.10373	2.0
181.06195	1.9
192.06627	1.4
193.13445	1.3
197.12854	5.4
198.08801	2.6
199.07219	5.8
201.12473	4.1
223.10890	9.4
225.16168	1.4
241.11885	3.2
242.22441	1.3
252.51038	1.3
268.16614	2.1
270.27560	1.3
286.17651	1.7
295.13034	3.7
298.13983	1.7
300.19305	3.2
303.96762	1.2
312.15640	17.0
330.11880	28.1
330.16647	29.0
330.20282	3.0
331.12302	2.3
331.17261	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	330.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
61.98829	100.0
66.47838	1.6
69.21770	7.4
69.22175	3.1
108.02155	2.5
163.68593	1.9
166.38145	1.6
312.70953	1.6
330.26828	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	330.203
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
54.46239	1.8
57.97528	2.3
58.02960	2.4
58.07385	1.7
59.01363	6.3
60.99321	1.6
69.55037	6.6
72.00900	2.2
72.52326	1.5
74.02473	77.6
82.06613	5.3
88.04012	2.8
94.95084	1.5
104.03539	32.2
108.02193	2.8
109.02963	2.2
111.76820	1.6
116.07130	2.3
126.09151	2.0
126.85345	1.6
129.10336	38.2
130.08717	5.8
137.02425	2.6
138.09235	1.8
139.08803	8.5
140.07138	1.8
143.11884	25.4
148.48920	1.5
152.07082	5.4
153.10306	2.3
155.10651	2.2
155.11908	32.2
167.02176	2.0
172.46591	1.5
173.12860	3.1
187.10840	2.8
195.14957	9.0
197.16554	12.4
199.18126	2.5
200.13916	2.0
201.12498	2.1
218.16112	1.9
225.16058	32.1
243.17035	13.8
248.83029	1.9
256.20325	28.8
257.20544	2.8
258.14581	2.3
268.20288	33.5
269.08084	4.0
269.20435	3.7
286.14023	2.1
286.21231	5.2
295.12881	2.8
300.19296	70.0
301.19553	4.0
312.15549	3.5
330.04996	2.1
330.16901	5.1
330.20267	100.0
331.20670	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	330.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	2.1
59.01376	10.1
60.99277	1.9
61.04714	1.9
66.99429	1.5
69.92934	1.6
71.01348	2.8
73.04080	1.7
74.02477	81.1
81.07079	1.7
82.06622	9.3
86.02477	2.3
87.05626	4.5
88.04044	2.3
92.52541	1.9
104.02876	2.7
104.03539	34.0
108.02155	3.0
109.47691	1.8
112.07657	3.6
114.01952	1.9
126.09212	3.7
127.05088	5.0
129.10349	41.2
130.08704	6.7
130.09581	1.8
134.76347	1.9
139.08791	8.6
143.10818	2.4
143.11902	30.5
152.07155	2.6
153.10341	3.1
155.11913	36.2
157.13388	2.0
164.14484	2.3
173.12875	3.7
174.01634	5.5
182.17456	1.6
187.10789	2.5
195.15004	7.8
197.16612	10.7
199.18219	2.1
200.14041	42.0
214.15433	1.8
225.16119	31.7
243.17177	16.3
256.20328	26.2
268.20303	29.4
286.14011	4.4
286.21219	2.8
298.13947	3.1
300.19278	69.6
301.19537	7.3
330.16745	6.8
330.20239	100.0
331.14026	2.4
331.20566	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	330.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
66.45414	0.8
69.65611	2.6
71.79494	0.7
73.04067	7.9
74.02473	1.0
79.53394	0.7
82.06608	1.3
84.43202	0.7
96.93198	0.7
97.04790	0.7
103.05135	1.6
127.62823	0.8
129.10344	0.8
130.08746	100.0
131.09093	3.6
139.08809	4.3
140.07188	5.9
141.10356	3.7
143.11888	7.2
167.03520	1.8
168.03824	1.1
169.09837	10.1
181.09755	1.7
182.08212	1.0
186.12592	1.1
199.10878	9.1
199.12761	1.3
199.18158	33.4
200.18423	2.2
202.14494	2.4
243.11047	0.8
243.17117	2.6
256.20300	19.5
257.20660	1.6
263.17395	0.8
286.16656	1.2
287.31519	0.9
300.19299	19.9
301.19666	1.2
312.19330	2.4
330.16003	3.3
330.20319	89.1
331.20718	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	330.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77282	2.9
53.08174	2.8
59.01368	3.9
71.43989	2.7
73.04069	9.3
89.34650	3.0
108.02169	6.0
118.77695	2.6
125.37714	2.6
129.10291	3.4
130.08736	93.0
138.91495	2.7
140.07173	5.0
141.10269	3.6
151.95435	2.8
169.09821	7.8
171.10294	3.8
182.36598	2.6
185.11870	15.4
199.10887	11.8
199.18156	38.0
256.20267	17.8
300.19180	16.7
312.21893	3.4
330.20007	54.8
330.22861	100.0
331.19901	4.0
331.23221	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.66824	0.8
57.03452	5.6
58.02966	1.0
58.09626	0.9
59.01376	13.8
65.00317	6.8
66.03471	1.6
66.19661	0.9
70.02973	6.9
71.01372	5.1
72.99289	1.8
73.02953	5.2
73.04061	4.4
74.02472	12.4
74.99373	1.2
78.95908	4.4
81.03455	3.4
82.02976	2.1
83.01379	17.3
85.02956	1.5
86.02459	1.0
87.00873	1.6
87.05629	1.3
88.04043	5.1
89.02439	1.6
94.02976	7.0
95.02464	0.9
96.00918	12.3
96.04538	5.1
96.96962	1.2
97.02969	1.5
98.02489	1.4
99.00898	1.4
101.00936	1.7
101.02438	2.7
103.05117	1.8
104.03531	5.6
104.75082	0.8
104.98564	0.9
107.01387	11.5
108.02182	20.3
109.02989	4.1
110.02539	4.0
111.02003	1.4
112.04040	2.6
113.02421	2.4
113.03581	6.7
114.01978	12.2
114.98885	12.0
115.00343	1.7
116.07140	1.6
117.00449	2.4
117.01931	7.3
120.95486	1.1
121.02968	1.4
122.02460	2.6
122.06127	2.2
123.04527	2.4
124.01644	3.1
124.04031	1.6
124.98769	1.1
125.02444	61.7
126.02767	1.6
126.98851	1.2
128.03540	1.3
129.10347	8.4
130.08728	2.4
131.02139	1.2
131.04616	6.9
131.08261	3.4
132.98123	1.0
133.01472	1.2
137.02434	1.9
139.04030	1.1
139.08725	1.7
140.07152	1.6
141.10312	1.5
143.00060	0.8
143.11870	4.1
144.99919	1.5
145.09828	3.0
149.02454	2.2
149.99516	1.4
150.05617	3.0
151.00366	64.1
151.03957	3.7
151.05930	2.4
152.00717	2.2
152.07227	0.9
153.01955	1.6
153.10298	0.8
154.05045	2.1
155.11871	4.2
156.99950	2.2
159.01514	2.1
160.01582	0.9
161.01189	1.4
161.04543	3.4
165.01913	1.5
167.03513	2.6
167.08299	1.5
168.00615	3.1
168.04305	1.0
168.08897	0.9
168.11414	2.4
169.00003	1.4
169.01414	32.5
169.05072	2.3
169.09781	1.7
170.01752	1.2
170.63776	1.0
172.97662	7.8
172.99393	6.8
173.00748	1.1
175.00412	8.7
175.01854	1.0
175.02484	0.9
181.09740	1.0
186.12477	24.5
186.99373	2.0
187.00977	4.9
187.10841	2.9
187.12636	1.2
188.00656	0.9
189.00706	5.8
190.00365	1.0
193.01421	6.0
198.04056	5.0
198.12494	2.5
200.13934	1.4
200.99237	2.4
211.02493	2.4
212.03508	1.1
216.13522	7.2
224.96733	1.2
226.11801	1.0
227.00615	1.2
240.96643	1.1
243.00334	5.7
244.12981	0.9
254.04558	5.6
257.01566	0.9
258.99896	0.9
267.09818	2.8
270.99725	6.1
271.07294	4.7
271.99667	0.9
272.08060	1.4
284.12415	1.9
287.13580	1.4
288.07104	1.4
289.00967	6.4
301.15189	8.6
313.11240	2.2
313.15274	3.0
314.13586	1.3
330.98340	2.4
331.06689	100.0
331.16138	41.4
332.06818	6.3
332.16483	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.73190	0.5
57.01229	0.5
57.44673	0.5
59.01358	1.9
69.03469	2.6
71.01382	1.7
71.02470	0.5
73.04072	3.9
74.02477	5.5
75.44926	0.5
76.56034	0.5
78.95907	3.5
81.03466	1.4
82.06614	0.5
83.01379	1.1
84.04542	1.2
87.05629	2.6
88.04028	2.3
89.02421	0.7
89.04371	0.6
95.01380	0.9
96.00929	4.1
97.02938	2.6
98.02477	1.4
99.00919	0.6
102.05599	2.6
103.05149	1.2
103.05919	0.8
103.47053	0.5
107.01373	1.5
108.02193	1.6
109.02942	1.1
113.03573	0.9
123.00891	3.0
124.01674	12.7
125.02448	59.4
126.02805	2.2
127.05185	0.6
128.03551	5.8
129.03879	1.4
130.08733	5.8
137.02415	0.9
138.92407	0.5
141.10393	0.8
143.04636	1.3
143.11909	2.5
145.09816	1.0
146.04604	1.5
149.02444	0.6
149.99586	24.6
151.00372	2.9
151.03963	0.9
153.00801	1.0
153.01950	9.1
155.11864	0.6
157.13416	0.8
167.03488	1.5
168.00641	61.9
168.04259	4.7
169.01361	6.2
169.05052	1.6
169.09818	1.2
183.11333	1.2
186.12466	1.9
187.10854	1.1
200.06775	2.3
200.14044	2.5
201.12469	1.9
202.12845	0.8
204.03229	0.6
224.11310	1.0
244.13013	1.3
267.09680	0.8
269.08328	0.7
284.12570	0.7
286.17700	0.9
288.15668	1.7
301.15103	4.4
313.05673	7.0
314.05856	0.7
314.13800	0.7
329.14728	0.6
330.16727	1.5
331.06693	100.0
331.16568	10.9
332.06976	7.2
332.14383	1.3
332.18161	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	331.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.9
71.01384	2.8
72.99312	2.1
73.02951	1.9
73.63808	0.9
78.11868	1.0
78.95908	2.8
81.04607	1.6
83.06135	2.4
85.02937	1.4
87.00885	4.1
90.97163	1.2
96.95998	1.5
108.02163	14.3
109.02975	2.0
111.00858	1.7
113.02486	1.6
116.92908	1.1
117.01918	1.8
123.98270	8.2
125.02460	1.6
128.96190	0.9
129.10378	1.0
131.08260	58.9
132.08641	0.9
141.98265	2.7
149.66922	1.0
150.05592	1.1
151.06036	1.2
156.07793	1.3
156.91309	2.9
156.99388	1.5
156.99864	1.6
159.01486	1.1
161.04530	4.3
164.01419	3.1
166.02966	5.8
167.03506	1.1
168.99950	1.3
169.98820	2.6
173.10455	4.4
186.12531	1.7
187.98804	3.8
189.00694	1.3
191.02039	2.0
208.04034	3.4
210.01968	2.8
212.03510	12.4
216.02000	2.1
224.03525	6.4
226.05190	1.5
227.00459	2.9
243.03040	1.2
247.06064	1.8
254.04568	100.0
255.04955	4.0
271.07211	89.8
272.07608	3.8
287.52679	1.2
301.15247	2.2
331.06332	2.3
331.09613	2.3
331.15918	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	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
58.02122	0.3
58.40079	0.4
59.01354	0.9
67.66706	0.3
71.01384	1.7
73.02959	0.5
73.04066	0.4
74.02474	1.8
78.95879	0.4
82.00595	2.1
85.02946	2.9
88.04052	0.5
101.02466	0.7
108.02140	0.7
109.02963	0.4
110.00097	6.5
113.02465	3.0
115.08736	0.4
124.01687	1.1
125.02436	6.5
129.10332	0.4
130.08772	0.5
131.03471	0.5
132.59476	0.3
136.01685	0.5
137.02449	0.6
137.99596	8.1
139.00417	2.4
140.01123	0.7
151.00394	1.1
152.01155	3.2
153.01938	100.0
154.02608	4.4
155.03503	2.7
161.04572	1.5
166.02689	0.7
167.03496	12.6
168.04280	52.7
169.01430	1.0
169.05051	10.7
170.05434	0.4
179.03465	0.7
181.10594	0.5
191.03510	1.1
209.04614	1.1
211.06117	0.9
239.05568	0.5
286.17697	0.4
287.18106	0.5
299.07733	0.5
304.45490	0.4
331.10349	5.3
331.16803	1.3
332.10437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19224	1.2
55.68987	1.0
57.03455	6.0
59.01383	14.9
61.98803	1.1
65.00317	2.5
66.03498	2.8
70.02975	6.9
70.40691	1.3
71.01379	5.4
72.00883	1.3
72.99312	2.8
73.02947	3.0
73.04057	6.1
74.02473	13.5
78.95906	5.9
81.03442	2.0
82.02973	4.2
83.01390	19.0
84.85945	1.1
85.02982	2.2
87.00867	2.1
88.04044	4.7
89.02448	1.3
92.95984	2.0
94.02995	11.4
95.01382	2.1
95.02502	1.2
95.07722	1.1
96.00919	17.4
96.04552	7.8
96.96978	2.3
99.00865	1.6
101.00960	2.3
101.02451	1.8
104.03564	6.5
105.01974	1.0
107.01405	10.8
108.02179	13.2
109.02939	5.4
110.02470	6.0
111.01961	1.4
112.04051	4.8
113.02468	1.9
113.03579	9.6
114.01976	15.9
114.98902	10.7
115.00324	1.8
117.00473	2.8
117.01961	4.1
118.21144	1.0
119.00172	2.2
121.02881	1.3
121.66646	1.2
122.02489	3.1
122.06084	1.2
123.04538	1.5
124.01661	3.2
124.04018	4.0
125.01031	2.0
125.02450	52.6
126.02838	1.2
126.98889	2.4
127.05138	2.2
128.03566	1.3
129.00446	1.2
129.10332	9.9
129.55832	1.1
130.08734	2.1
131.04611	9.1
131.08257	3.8
132.03009	1.3
132.98149	1.7
133.01498	1.9
140.07195	2.0
141.00429	2.3
141.10350	2.4
142.00679	1.5
143.00229	1.2
143.01993	1.6
143.11917	4.9
144.99840	1.1
145.09821	3.9
149.02386	1.9
150.04353	1.1
150.05568	3.9
151.00369	58.7
151.03969	2.7
151.05949	4.0
152.00740	2.3
152.03526	1.7
153.01970	1.5
154.05092	3.3
155.11906	5.3
158.12956	1.3
158.98181	1.1
158.99731	1.2
159.01482	3.2
160.01735	1.2
161.01289	2.7
161.04552	5.1
167.03474	2.8
167.08293	1.8
168.00627	4.3
168.11444	3.9
168.99963	2.1
169.01419	31.6
169.05031	2.3
169.09821	2.8
172.97687	3.4
172.99431	6.0
173.01157	1.6
175.00481	7.3
175.02316	1.4
180.11447	1.7
184.99361	1.3
186.12465	26.4
186.99350	2.2
187.00919	8.2
187.10867	3.9
187.12651	1.6
188.00557	2.5
189.00668	7.9
193.01425	7.0
198.04077	8.8
198.12535	4.2
200.14116	2.1
200.99281	2.6
205.01483	1.2
209.09325	2.0
211.02472	1.5
216.13512	10.7
217.12022	1.3
223.10818	1.4
243.00345	8.7
244.13136	1.3
254.04608	9.2
257.16452	1.8
267.09903	3.3
269.08206	2.6
270.99774	5.7
271.07169	8.2
271.10095	1.6
272.08167	2.3
284.12552	2.7
288.07181	3.3
289.00919	9.8
290.01273	1.4
301.15237	11.4
312.97260	1.2
313.11163	3.9
313.14911	2.8
314.13467	2.5
330.98257	3.6
331.06699	100.0
331.16135	50.5
332.06903	8.3
332.15204	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	331.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85388	2.4
61.98824	6.3
69.03447	8.2
69.28786	9.5
75.37703	2.8
97.02949	34.0
100.08952	2.7
173.88588	3.3
178.02432	7.9
191.03297	4.5
210.01477	2.8
214.18213	2.8
219.06451	3.6
244.40958	3.3
248.78171	3.0
249.14835	3.6
255.84764	2.4
258.43863	3.1
261.11060	14.9
262.11841	100.0
262.34711	2.7
263.12170	8.5
273.37003	2.3
325.24207	3.4
331.18820	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	331.2488
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.66332	1.0
58.00602	1.0
59.01357	2.8
61.98831	1.6
67.63461	1.0
70.93050	0.9
70.93399	0.9
71.01385	1.0
87.48904	1.1
89.43015	0.9
100.29866	1.0
102.32823	0.8
108.02145	1.7
111.08156	3.8
113.09716	2.6
129.09203	1.3
134.02463	1.3
136.04030	1.1
141.09207	3.3
141.12845	2.1
143.10822	1.2
151.07637	1.4
153.09254	1.7
155.14394	2.0
157.08707	17.7
169.12387	1.2
171.10248	2.2
171.13916	3.3
187.09749	8.9
193.05978	1.0
237.72995	0.9
238.56326	1.0
277.21780	1.4
288.16034	3.1
295.22784	1.6
313.23694	7.2
331.24872	100.0
332.22348	1.7
332.25458	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	332.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.9
61.98834	100.0
74.45766	5.2
95.54328	3.9
219.97952	3.8
269.04535	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	332.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13835	0.7
59.01370	3.2
61.09836	0.8
69.12682	4.4
70.02988	0.8
71.01366	2.6
82.06601	1.2
87.05638	11.3
88.04027	1.1
89.02446	1.6
97.04068	6.3
100.04057	1.3
100.07574	0.9
106.37318	1.0
113.07242	0.9
114.05605	15.4
121.13634	0.8
126.08189	0.8
128.03503	1.8
148.04382	40.3
148.69704	0.7
152.10786	0.9
153.10260	4.6
155.11885	7.5
161.04578	0.9
169.13461	6.7
183.11398	15.3
200.13979	1.4
210.16191	1.7
217.09764	2.6
217.13715	6.0
226.15631	1.8
240.17169	11.5
271.10803	1.8
284.16153	4.9
288.17453	14.2
289.17841	1.0
332.16461	100.0
333.16333	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	332.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44979	0.9
59.01361	2.0
69.67666	4.0
74.02495	1.1
78.98598	1.5
80.05039	1.0
87.05638	7.1
87.20366	0.9
90.00263	1.1
94.99660	0.9
97.04032	1.7
97.23205	1.0
98.21851	1.2
127.07650	1.7
128.03500	0.9
132.63264	1.0
148.04381	44.2
149.04684	1.0
153.10315	5.7
155.11931	6.7
157.13463	1.4
169.13472	4.4
170.01027	1.3
171.06645	2.2
183.11406	14.5
185.16513	1.2
196.38724	1.1
210.16150	1.8
217.13805	2.4
235.67906	1.1
240.17220	9.4
257.65665	1.1
284.16104	4.8
288.17542	14.1
298.13849	1.5
332.16483	100.0
333.16605	7.7
346.86801	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	333.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.5
71.01395	8.6
72.00918	5.3
73.02919	3.2
84.58408	2.2
85.02959	4.9
86.41903	1.9
89.02439	7.7
91.05555	2.3
98.22652	3.5
101.02454	6.4
107.03772	6.2
112.04071	4.5
118.06613	3.9
119.03627	2.4
120.04574	14.8
121.05344	10.3
122.06118	100.0
123.06457	3.6
124.03997	4.4
129.10321	2.6
130.08734	4.6
134.06146	7.1
135.06877	2.9
136.07689	55.1
137.08032	2.6
138.05635	3.2
140.07152	5.0
147.04565	3.7
155.08301	4.7
162.05600	2.1
164.07143	13.7
164.48743	2.1
166.05074	4.0
168.06664	14.0
171.10312	6.0
178.98111	2.1
183.05400	3.3
184.11249	3.6
198.07684	3.8
214.12398	5.8
217.07410	7.3
227.08353	2.6
229.09784	3.4
241.09848	7.1
242.10634	8.3
245.16611	2.7
246.11279	15.0
257.12949	91.6
258.13214	7.0
259.11084	4.7
271.10828	16.1
277.21332	2.3
289.12054	4.9
301.11972	5.8
315.09909	2.9
333.10779	10.5
333.14688	29.1
333.19263	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	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14202	0.7
59.01379	45.4
69.51614	1.3
69.52016	2.2
71.01358	0.9
71.24500	0.6
72.00919	0.9
73.02946	0.8
73.04070	7.1
82.06641	0.8
83.02520	0.9
83.05016	1.1
89.02467	1.1
91.03982	1.6
91.05520	1.6
101.02445	1.2
105.01907	1.2
111.08145	1.0
127.11298	0.7
129.10355	2.2
130.08754	6.8
131.05046	0.6
137.09711	11.0
138.10062	0.7
147.04535	2.5
151.19255	0.7
153.09196	1.3
155.10777	100.0
156.11122	3.9
164.07153	6.4
169.09875	2.0
171.10268	28.1
172.10628	1.3
181.08675	4.3
186.12482	7.2
199.09750	19.4
203.08258	1.4
215.12888	1.1
216.13916	2.8
217.10794	39.3
218.11111	1.6
219.68683	0.8
233.16632	1.7
241.10721	1.2
259.11957	0.8
271.70825	0.9
273.13412	20.0
274.13800	1.4
291.14493	79.0
292.14993	4.3
300.75702	0.8
333.15546	36.3
334.17792	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	333.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	4.1
55.12799	1.0
56.64833	0.9
58.02976	100.0
59.01369	1.2
59.03330	1.0
69.83740	3.1
82.06618	3.1
90.98602	1.2
91.05534	16.6
96.08237	1.0
96.89552	1.1
96.96043	1.4
97.99879	1.1
98.02510	1.2
98.99628	2.7
102.03479	2.3
111.01999	1.5
112.07668	3.0
114.01965	1.3
116.05063	98.5
117.05405	5.0
118.06633	21.4
123.05549	1.1
123.06846	1.4
123.09292	28.8
124.09634	1.5
126.09242	6.3
129.10342	39.6
130.10696	1.3
132.08185	2.9
137.10822	4.1
139.08788	18.9
140.09094	1.2
140.10806	5.3
141.10315	3.1
146.06158	5.1
147.04498	2.1
149.06166	2.1
153.10281	1.9
154.08765	4.8
165.10345	1.3
167.04457	1.2
167.08270	1.2
168.09030	2.0
171.11395	48.7
172.07632	4.4
174.05592	19.0
174.09154	1.7
183.11382	2.7
185.09302	2.6
198.12924	9.5
200.11783	1.6
210.10094	12.7
215.15508	17.1
216.13934	2.3
227.10356	1.2
231.15013	6.5
242.11855	99.4
243.12093	7.1
257.16595	57.2
258.14639	1.7
258.16913	3.4
259.14474	27.2
260.14822	2.0
273.16019	1.4
291.17126	13.4
301.15570	82.0
302.15866	6.5
333.14084	2.0
333.18069	31.4
334.18484	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	333.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53031	0.9
69.03458	1.4
70.17310	1.9
71.01414	0.9
71.02592	0.7
84.02173	1.6
97.02953	4.1
99.02122	0.9
99.08150	2.5
117.66745	0.8
127.07649	19.9
129.09230	2.0
165.12836	1.8
165.87834	0.8
167.06873	1.6
168.91415	1.0
169.08525	1.0
178.02513	1.2
179.87444	0.9
181.12360	3.8
183.13867	5.9
190.97954	0.9
201.08998	2.4
203.10492	8.7
204.97130	0.9
205.12117	2.3
208.29080	0.8
214.80920	0.9
221.11584	3.9
223.13150	28.0
233.08078	1.5
233.11580	14.1
234.11925	0.9
235.09564	3.4
237.11005	1.6
240.44067	0.9
249.14722	1.0
261.11240	0.8
262.11819	15.7
263.11899	1.3
265.10596	2.6
267.12079	11.1
285.18259	1.3
287.19913	1.5
303.19424	3.5
305.20889	2.5
315.19415	6.1
322.22913	0.8
333.20459	100.0
334.20892	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	333.207
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
50.92274	0.5
59.01382	0.7
59.64712	0.5
61.34712	0.6
71.21633	0.8
92.19012	0.6
109.02939	2.2
110.03741	3.8
113.78387	0.6
116.92863	1.7
119.42446	0.6
123.00913	0.6
124.01657	0.6
125.02451	1.8
137.02441	1.9
138.03220	6.6
139.03947	0.5
142.02713	1.6
152.04782	0.8
166.02667	4.2
167.03444	0.7
172.66626	0.6
179.03503	7.2
180.04214	3.1
193.05037	3.5
198.01706	0.9
235.09703	1.2
236.10538	1.1
291.16092	0.7
305.21155	5.6
306.21436	0.8
317.36029	0.6
333.20700	100.0
334.21017	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	334.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60378	0.9
58.02977	10.2
59.01363	3.1
61.98823	3.0
69.20650	0.8
69.54915	3.0
69.55235	0.8
70.02982	5.3
71.01347	1.1
72.00912	6.1
73.04068	35.5
74.02470	1.9
82.02985	6.9
85.04071	2.8
87.05652	2.6
91.05531	11.0
91.06073	1.4
96.47358	0.8
97.04079	10.0
98.02473	1.2
102.52004	0.8
109.04057	6.9
111.08173	2.3
113.11131	0.8
115.05137	51.5
116.07170	1.8
118.06637	1.5
121.31468	0.9
126.06734	1.9
127.05133	49.9
128.05458	1.3
135.82280	0.8
141.06718	5.6
143.04700	1.3
144.07777	9.5
147.04517	24.8
148.04939	1.2
160.07678	1.4
162.09267	2.2
164.07159	77.6
165.07460	3.7
168.07771	4.6
169.06186	15.5
173.08182	3.0
174.01617	0.9
177.10341	7.7
186.08839	14.8
186.12506	2.3
189.10318	2.2
213.10327	1.7
214.08704	1.1
219.11360	2.8
231.11374	3.6
248.13971	3.8
257.09369	2.5
259.14670	0.9
275.10364	2.7
290.15161	4.8
317.11502	2.8
334.14066	100.0
334.17636	7.9
335.05569	2.3
335.14313	10.0
335.17773	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	334.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59827	0.9
54.48675	1.3
55.22461	0.9
59.01382	6.2
61.98825	1.8
67.46497	1.1
69.28761	4.2
69.29173	1.6
70.49196	0.9
72.00907	3.2
73.04063	24.3
74.02471	1.5
82.06625	1.8
83.02502	4.9
90.50468	1.0
91.05531	7.5
118.06635	2.9
124.79202	1.2
129.10349	15.4
130.08727	18.6
131.05092	1.5
139.08766	2.3
141.10352	4.1
147.04521	17.7
148.04831	1.2
155.10786	4.7
156.11084	6.2
164.07156	42.6
165.07506	1.7
168.11438	4.1
169.09814	11.9
172.10638	2.0
173.11903	1.2
186.12471	46.7
187.12837	1.9
191.65839	1.2
200.10002	1.4
203.08302	5.3
216.13908	6.4
218.11214	1.6
233.16585	10.5
274.13797	3.0
277.15674	1.9
290.18753	6.4
292.14758	6.6
334.17746	100.0
335.17896	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	334.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42231	1.1
59.01381	1.7
63.28549	1.2
68.35669	1.1
69.25784	6.3
73.04066	55.4
74.02491	1.9
82.06627	4.0
83.02508	12.1
84.08179	1.9
88.03407	1.2
88.92123	1.0
91.05545	1.3
103.05523	2.0
130.08739	100.0
131.05025	7.8
131.09085	2.7
146.06088	1.3
150.59656	1.1
164.07138	3.0
167.28909	1.1
186.12547	1.7
197.98019	1.0
203.08255	24.0
216.13910	28.4
217.14185	2.2
260.12918	3.6
277.15604	2.6
292.14868	1.4
334.17728	90.6
335.17877	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	334.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11708	42.8
61.98811	100.0
81.67315	49.1
90.29102	39.1
98.15414	45.9
107.42580	38.8
134.00485	44.4
148.77933	41.2
170.88420	58.4
170.91154	54.6
192.95901	97.6
194.92761	53.6
252.88663	80.9
275.16211	45.8
338.01178	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2024
Annotation	Ankorine
Peak:m/z	Relative Intensity
51.36663	3.0
53.67490	2.5
57.03437	10.6
61.98810	3.2
69.32713	11.5
70.41109	2.7
79.85517	2.7
83.05018	25.3
93.03465	4.5
96.04551	50.4
97.06570	9.8
102.15392	2.9
106.04234	27.6
107.05045	15.2
112.07682	100.0
113.07994	3.6
175.11339	5.3
177.11423	3.8
177.12868	56.4
178.13298	3.4
185.09641	4.9
190.86404	3.0
195.13896	5.1
203.10788	67.0
204.11028	3.5
221.11836	48.2
229.12323	3.9
237.14970	58.3
238.15280	5.3
247.13297	16.6
272.20215	7.8
277.38773	3.3
298.18103	12.7
309.87695	3.8
316.19171	67.9
317.19461	5.9
334.20270	77.6
335.20453	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	335.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81764	0.6
56.01085	0.7
56.76537	0.6
59.01369	1.0
61.98816	2.2
69.23178	1.0
69.23586	2.6
70.02995	1.2
72.63771	0.5
73.04075	1.3
81.97563	2.4
93.03602	0.6
96.96017	0.7
97.04078	1.9
98.22565	1.3
100.00407	0.6
116.05068	3.9
117.03422	0.7
121.27014	0.5
130.08740	2.3
144.04550	1.3
149.00563	0.6
150.01442	2.2
151.02235	0.7
158.06122	1.1
163.01024	1.0
163.02225	5.2
164.01738	2.0
164.07222	1.1
168.04552	0.6
170.06140	0.7
172.03922	0.6
174.00165	1.8
176.01752	67.0
177.02051	4.0
177.03540	0.6
186.12436	0.9
188.01790	2.1
189.02553	10.3
190.03320	14.9
191.03600	0.6
192.04871	15.0
193.05286	1.2
202.03276	1.5
204.04871	41.8
205.01974	0.7
205.05176	1.9
213.06602	0.7
219.03671	3.5
220.00780	10.4
220.04303	7.2
234.02275	1.6
247.05450	100.0
248.03522	5.6
248.06145	5.3
264.03558	0.6
291.04495	6.1
334.17661	1.8
335.03241	1.7
335.17761	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	336.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19690	7.9
57.03445	15.8
59.01363	15.5
60.02028	8.4
61.98825	13.1
69.84111	26.4
71.01385	25.8
72.99304	16.7
73.02948	8.7
75.00885	20.7
78.38387	8.8
78.95939	10.9
83.01389	19.1
85.02946	19.6
88.04057	29.6
89.02470	8.7
90.63181	8.6
99.00863	41.2
101.02467	11.8
102.37308	7.6
111.00883	19.3
112.98801	25.8
115.00367	12.1
129.01950	61.3
130.05106	31.5
130.08755	100.0
131.08282	19.1
131.09198	8.1
142.99847	13.3
145.01431	11.1
173.00890	16.6
173.10402	15.0
175.65182	6.8
185.92004	8.0
205.03622	38.1
266.29803	7.8
317.79718	10.3
336.12680	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	336.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51633	22.8
70.30439	43.1
70.30775	31.9
87.33292	20.7
98.15332	21.6
98.22413	39.3
180.07880	24.2
293.21243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22519	0.8
58.49048	0.9
59.01379	96.4
71.01381	45.4
71.01782	1.7
72.99319	1.9
73.02953	2.3
82.44592	1.0
83.01386	3.1
83.98566	0.9
85.02954	9.3
87.00893	3.1
89.02444	45.0
92.27323	0.9
95.01395	2.7
99.00878	3.0
101.02435	29.0
105.03446	1.1
109.02968	2.4
113.02453	15.3
115.00360	4.2
118.96017	1.0
119.03500	22.3
119.04318	1.8
121.06557	1.2
124.04041	1.2
131.03500	1.6
133.02977	2.7
135.04488	4.8
143.03508	2.1
147.04509	1.9
148.05235	1.2
149.04823	1.5
149.06081	21.2
161.02440	4.1
161.04572	2.6
168.85094	1.1
171.72734	0.9
175.02461	3.1
175.04047	2.6
177.01953	3.7
178.02254	1.1
179.03508	3.2
179.05569	2.9
189.05608	1.0
191.00285	2.7
193.05075	3.1
205.98970	2.5
206.02179	1.1
211.90913	1.1
219.02965	5.0
233.01358	3.8
233.04517	2.7
234.99261	3.0
237.04086	11.3
277.00293	12.1
277.03427	1.3
277.04599	1.3
293.06873	1.6
337.06024	2.8
337.15036	100.0
338.15469	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	337.2387
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
54.67729	2.6
59.01380	4.8
59.63123	2.8
61.98803	11.5
69.13579	6.7
69.13992	12.8
87.77254	2.8
92.92789	3.1
96.96031	3.8
104.97800	2.8
119.94742	3.4
171.10258	19.6
173.88766	3.0
180.57632	3.0
195.93094	4.3
209.27264	2.6
220.87074	3.3
251.16501	8.7
252.16891	3.4
312.07458	3.2
319.22482	4.6
337.23831	100.0
338.24188	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	339.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04408	21.4
53.37018	24.7
59.01371	93.8
69.17987	39.4
69.18388	100.0
87.00832	21.9
94.25884	20.2
96.95998	46.0
98.22589	57.4
98.44627	21.5
103.57428	22.4
107.51162	22.2
109.25034	22.6
115.04031	25.3
115.15438	21.4
123.23569	24.2
126.89149	22.4
133.02827	24.6
144.31877	19.5
160.43105	23.1
251.07159	50.4
255.73900	24.3
281.19907	21.8
309.07715	55.6
324.10065	37.1
339.05212	43.8
339.12070	41.9
340.11819	31.6
354.56525	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	339.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16529	29.8
59.01377	100.0
67.77812	34.5
71.01369	52.5
103.88297	32.0
115.00317	46.9
124.17966	29.6
130.08777	92.6
133.02954	71.5
134.06194	59.7
160.01677	60.8
164.45923	34.6
167.06163	91.4
177.01910	75.2
178.02669	35.0
179.10756	79.8
193.56770	34.4
211.03998	33.2
223.09737	96.2
277.14615	68.6
278.09271	47.8
279.03033	47.1
295.11023	42.8
323.88004	34.2
339.05078	71.1
340.09085	70.5
340.21774	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04408	21.4
53.37018	24.7
59.01371	93.8
69.17987	39.4
69.18388	100.0
87.00832	21.9
94.25884	20.2
96.95998	46.0
98.22589	57.4
98.44627	21.5
103.57428	22.4
107.51162	22.2
109.25034	22.6
115.04031	25.3
115.15438	21.4
123.23569	24.2
126.89149	22.4
133.02827	24.6
144.31877	19.5
160.43105	23.1
251.07159	50.4
255.73900	24.3
281.19907	21.8
309.07715	55.6
324.10065	37.1
339.05212	43.8
339.12070	41.9
340.11819	31.6
354.56525	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	339.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.8
72.17786	11.7
74.02498	18.4
76.69468	10.8
87.49317	9.9
93.64931	10.8
96.96006	32.0
130.08736	27.6
131.09105	19.2
132.02159	13.5
160.01630	25.2
176.95171	100.0
177.01950	26.9
200.06178	13.2
249.25616	12.2
260.55222	11.6
316.94077	12.5
339.14505	19.1
340.24814	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75290	0.4
57.03431	0.4
59.01378	100.0
60.01719	1.5
60.85042	0.4
69.85325	1.4
71.01382	2.5
73.02946	1.1
83.01398	0.6
85.02966	1.1
96.96040	0.7
98.21902	0.6
99.00864	0.6
101.02421	2.4
111.00814	0.5
113.02482	1.4
113.54623	0.5
114.05637	3.3
115.14410	0.4
133.03009	0.7
136.07635	0.5
150.94031	0.4
152.16420	0.4
161.04620	1.7
175.02759	1.0
176.03372	2.0
177.01979	2.7
177.03905	1.8
177.05627	4.7
194.31773	0.4
225.16132	0.7
246.05566	0.5
251.07193	1.0
279.14423	5.2
279.16910	0.4
339.05103	1.1
339.09143	1.9
340.22485	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
55.07053	0.3
69.71687	0.5
69.72011	0.6
73.63766	0.3
94.60018	0.4
102.01569	0.3
108.23283	0.3
110.55560	0.3
141.75224	0.3
147.08162	0.7
163.11284	100.0
164.11618	4.7
166.70961	0.3
204.03807	0.3
206.04012	0.3
339.23267	51.0
340.23636	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	341.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
68.99699	1.0
69.43776	4.7
71.01375	2.5
88.22741	0.9
89.02439	2.5
93.03458	11.6
100.93352	1.3
107.05029	1.6
108.02181	9.7
109.02945	14.1
114.05621	6.5
115.05941	1.4
117.03475	1.8
119.05016	13.0
129.03493	4.2
131.05045	4.4
133.02953	13.2
135.04518	3.4
143.05037	5.8
145.02953	5.6
146.03732	30.2
147.04521	100.0
148.04858	4.8
158.34166	1.2
159.04503	9.3
161.02446	15.6
163.04057	1.2
166.21495	1.0
169.06506	1.2
173.02470	2.3
179.03499	4.1
183.08119	1.7
189.01959	2.8
190.02698	11.1
191.03499	14.3
197.06151	1.1
197.09656	1.7
203.03514	1.2
203.47034	1.1
207.08110	1.3
209.06082	1.9
211.07515	1.7
221.06035	2.1
223.07516	2.4
225.05553	1.3
225.09210	4.3
227.07021	1.0
235.07712	7.0
236.08342	2.8
237.05545	3.6
238.06339	13.7
250.06281	1.5
251.07094	13.1
252.07872	7.0
253.08682	79.4
254.08968	6.2
254.45177	1.1
297.07550	2.9
309.58188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01378	21.5
60.01699	0.6
64.66386	0.4
69.98423	1.4
71.01013	0.7
71.01382	10.5
85.02943	1.5
85.23083	0.4
87.00899	0.5
88.24754	0.4
89.02449	11.5
95.01407	0.8
101.02448	4.4
113.02454	3.7
119.03515	4.5
128.35976	0.5
132.02168	0.9
133.02956	26.3
134.03725	0.5
135.04532	11.3
136.04861	0.4
149.06015	0.7
161.02443	100.0
162.02786	4.3
175.04030	1.1
177.05566	1.1
179.03505	17.9
179.05592	3.7
184.89490	0.4
203.03474	3.7
221.04579	1.4
233.04539	0.6
251.05678	0.5
281.06625	1.6
331.55463	0.4
341.08286	9.9
342.08737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.18626	0.3
59.01380	7.2
69.35406	0.7
69.35775	0.7
70.23103	0.4
71.01375	2.2
85.02946	0.7
86.52037	0.3
89.02435	2.7
96.52506	0.4
98.22688	0.4
98.97160	0.4
101.02428	0.9
104.02664	0.3
105.03486	0.4
113.02506	0.9
117.03470	0.5
119.03513	0.5
132.02179	1.5
133.02954	25.7
134.03345	0.8
135.04520	8.3
149.06068	0.6
161.02438	100.0
162.02783	4.4
164.26064	0.4
177.05577	0.7
179.03488	16.3
180.03848	0.9
196.46005	0.4
203.01854	0.5
203.03439	2.5
221.04535	0.8
251.05621	0.6
274.32895	0.4
281.06705	1.4
293.03387	0.4
295.56635	0.3
341.08755	10.6
342.09033	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	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.94347	0.5
58.28987	0.6
59.01368	1.9
71.01389	1.2
89.02448	1.2
93.03454	3.6
107.05017	1.4
108.02180	2.1
109.02944	3.6
114.05589	1.4
119.05053	3.4
129.03418	1.1
131.05016	0.7
133.02975	5.6
134.03777	2.8
135.04524	100.0
136.04831	3.5
143.05025	1.1
145.02940	2.0
146.03754	5.9
147.04518	23.1
148.04836	1.7
159.04541	2.2
161.02444	11.7
171.33514	0.6
172.57611	0.6
173.02415	0.7
176.82838	0.6
179.03496	98.8
180.03824	5.1
186.34698	0.6
187.11169	0.6
189.01961	0.9
190.02654	3.3
191.03468	2.7
191.97679	0.6
211.07794	0.6
223.07619	0.7
225.09326	0.7
235.07646	1.2
236.08243	0.7
238.06264	2.4
251.07132	4.3
252.07813	1.0
253.08687	20.3
254.09100	1.4
341.08875	16.6
342.09177	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03441	1.3
57.26059	0.8
58.00581	1.1
59.01379	100.0
60.01708	1.9
60.36654	0.8
60.84172	0.9
69.99239	2.8
71.01381	59.5
72.01708	0.8
72.99298	1.5
73.02934	2.1
78.95906	1.2
83.01394	2.4
85.02950	8.2
87.00865	3.0
89.02444	69.8
90.02768	1.3
95.01393	2.1
101.02442	27.7
106.98672	0.9
113.02446	22.3
119.03507	23.5
125.98541	0.8
131.03510	4.8
141.14157	0.9
143.03511	7.6
149.04512	3.2
153.21996	0.8
158.67152	1.0
161.04541	9.3
167.08839	0.9
179.05608	34.7
341.10867	45.2
342.11255	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	341.1086
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01876	0.8
57.03448	1.6
58.00588	1.5
59.01376	100.0
60.01718	1.2
69.48946	0.5
69.49289	1.5
71.01378	56.0
72.01728	0.9
72.99307	0.5
73.02943	1.9
74.86355	0.5
83.01390	1.6
85.02951	6.8
87.00874	3.1
89.02441	73.5
90.02790	1.7
95.01385	3.7
97.03040	0.5
101.02441	25.7
102.02763	0.7
113.02449	20.9
114.02747	0.6
119.03499	28.8
120.14590	0.4
125.02458	0.8
131.03513	4.2
133.01454	0.5
143.03514	5.3
144.78329	0.4
149.04504	2.8
161.04555	7.8
178.45760	0.5
179.05597	29.5
180.06030	0.8
207.07295	0.4
264.97845	0.4
341.10852	39.1
342.11142	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
58.00602	1.7
58.88485	0.6
59.01377	100.0
60.01712	1.6
69.48212	2.8
69.48551	0.7
71.01379	50.8
72.01742	1.2
72.99316	1.3
73.02940	0.8
83.01402	1.0
85.02946	7.7
87.00898	2.7
89.02442	63.7
90.02787	1.3
95.01391	2.9
96.52126	0.7
98.44582	0.7
101.02436	21.9
101.03094	1.2
113.02450	20.0
119.03502	23.8
127.02521	0.7
131.03488	3.1
143.03506	6.5
149.04556	3.0
157.53192	0.6
161.04576	8.5
179.05597	29.4
180.05844	1.0
196.55823	0.7
224.00330	0.7
287.52795	0.7
341.10837	39.0
342.11118	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	341.1089
Annotation	Isomaltose
Peak:m/z	Relative Intensity
53.51611	3.2
53.67229	2.7
59.01380	45.3
61.98823	3.5
69.03459	4.0
69.23351	15.5
71.01379	30.8
73.02951	18.3
85.02980	5.1
87.00885	4.0
89.02444	29.0
92.51005	3.1
93.03458	3.3
97.02940	14.7
101.02451	27.9
113.02425	14.4
119.03484	11.2
121.02970	4.9
125.02460	3.9
131.13985	2.9
133.02977	23.1
135.04518	14.2
143.03513	4.1
148.33295	3.1
161.02443	100.0
161.04585	13.3
162.02690	3.4
165.09090	3.5
179.03525	18.9
179.05597	10.4
253.08678	12.5
267.06683	7.5
341.10229	6.8
341.19589	13.6
342.26440	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1239
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
59.01374	8.9
71.01381	4.7
85.02966	1.2
89.02450	6.0
101.02441	2.6
102.74074	0.4
108.02228	0.5
113.02473	2.0
114.05602	0.6
114.45341	0.4
119.03498	1.7
119.05020	0.5
135.04533	9.9
143.03482	0.7
145.02942	1.6
146.03735	58.5
147.04274	2.9
151.00316	0.5
161.02466	0.7
161.04733	0.9
161.06070	18.6
162.06416	0.8
163.04025	1.5
164.04793	36.8
165.05130	1.4
179.03625	9.9
179.07127	100.0
180.03839	0.6
180.07498	5.4
180.50076	0.4
227.14037	0.6
236.39421	0.4
341.10663	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
59.01379	4.3
65.47575	0.4
67.16541	0.4
67.83730	0.4
69.12215	2.0
69.12621	1.1
69.49535	0.4
71.01379	2.8
85.02960	0.6
89.02432	3.4
98.22673	0.7
100.78738	0.4
101.02467	0.9
119.03514	1.1
123.00817	0.4
129.49806	0.4
137.02390	0.6
163.04030	1.2
164.04791	100.0
165.05107	5.2
179.07129	90.4
180.07466	4.3
184.00974	0.4
271.19357	0.5
341.12057	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13729	7.5
55.09570	7.1
59.01386	14.4
60.18213	8.8
61.98817	12.3
74.70539	7.7
78.57954	7.7
84.02148	18.2
85.39725	7.9
90.40945	8.5
97.02972	9.8
104.36059	8.3
171.10268	60.5
305.91614	9.6
331.58362	7.9
341.11014	8.5
341.23306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01379	74.7
60.01717	1.3
69.75346	2.1
69.75716	1.5
71.01383	30.6
72.99321	1.4
73.02940	2.0
74.02463	2.2
81.02197	1.2
81.03466	0.9
82.02974	1.0
82.06635	1.0
83.01395	3.1
85.02948	8.8
87.00847	1.0
89.02441	25.5
91.05534	1.5
95.01384	2.4
96.00916	1.0
98.02498	1.9
99.00910	1.3
101.02446	22.8
106.06625	1.8
108.02169	0.8
109.01708	1.1
109.02945	3.2
113.01675	1.4
113.02444	11.2
113.03584	1.4
114.05611	4.3
116.07181	3.7
119.03505	11.1
119.05032	1.1
121.02939	1.5
122.03722	1.1
127.05118	1.6
130.08730	6.6
133.02963	3.0
134.03322	2.7
134.06128	5.3
135.04555	6.8
136.04866	2.8
138.02020	1.7
138.13293	0.9
140.07162	1.2
141.06709	1.0
141.35446	0.8
153.10312	0.8
161.02429	7.6
162.02808	7.6
162.05608	69.3
163.04089	1.9
163.05959	3.4
166.08740	11.8
171.80687	0.9
179.03488	5.0
180.03876	4.1
180.06659	1.7
181.08714	1.1
181.65591	0.9
185.16547	1.9
212.10431	1.8
213.08772	0.9
223.10954	1.4
226.06366	1.6
227.07153	2.0
227.10335	1.3
227.13947	5.0
254.09177	1.3
254.14861	0.9
255.10236	8.0
298.14130	2.5
326.17249	1.8
342.11972	100.0
343.12326	7.2
343.19867	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	342.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	10.4
92.92799	7.7
115.70647	6.2
116.92866	15.5
119.94711	9.4
252.90778	5.4
342.20505	100.0
343.20834	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	342.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95801	0.4
59.01382	6.3
67.05515	0.4
69.35259	0.5
70.97588	0.6
71.00664	0.4
71.01388	1.1
75.25513	0.4
77.22088	0.4
80.05064	1.0
82.06616	1.7
84.08184	0.6
88.04063	0.5
93.03448	0.4
97.06599	0.7
101.02433	0.4
109.02911	0.7
111.95629	0.5
114.09254	0.6
115.08780	12.0
116.07188	4.2
119.05034	0.5
121.02977	1.0
125.07188	1.0
129.10364	1.3
130.08743	99.2
131.09090	3.1
133.02965	0.8
134.94351	0.4
141.10385	0.6
161.02422	1.4
162.02808	1.5
168.09000	0.4
181.05124	0.9
181.13457	5.3
183.15038	4.7
185.16539	2.9
199.18158	16.0
200.18509	0.9
209.16573	0.4
211.14532	15.0
212.14943	0.8
225.15926	0.7
228.17252	0.8
241.17920	1.4
243.17130	1.1
255.10231	0.7
273.16934	0.5
298.21594	0.7
298.25003	14.7
299.25397	0.9
342.23969	100.0
343.08182	0.9
343.24301	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	342.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.4
59.01377	13.9
66.03484	1.0
69.39623	1.0
69.40029	0.8
71.01016	0.4
71.01368	1.7
82.06626	1.4
83.02465	0.4
83.05038	0.5
84.08167	0.7
85.45438	0.3
88.04036	0.4
89.02452	1.1
101.02442	0.3
112.07681	0.4
113.02422	0.5
114.09208	0.5
115.08778	3.7
116.07188	1.7
119.05019	0.4
120.01225	0.4
121.02961	0.6
125.07202	0.7
129.10333	7.8
130.08736	95.7
131.09113	2.9
139.08757	0.6
141.10394	0.5
142.60965	0.4
143.11945	0.7
161.02455	0.8
162.02777	0.7
164.99617	0.3
168.13895	0.5
169.09807	0.5
179.03572	0.3
179.05655	0.4
180.06714	0.3
181.13467	3.6
183.15022	4.0
184.15341	0.6
185.16579	22.0
186.16920	0.9
199.18144	3.5
211.14502	11.8
212.14879	0.7
225.16064	0.4
228.17085	0.8
229.15607	0.8
298.24985	14.7
299.25375	0.8
342.23947	100.0
343.08276	1.5
343.13849	0.8
343.24271	9.7
355.72839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27490	0.1
59.01376	93.4
60.01700	0.8
82.95412	0.2
104.07381	0.1
113.04620	0.4
115.02533	0.4
117.00465	0.1
121.02971	0.5
156.90796	0.2
157.03555	6.9
158.03746	0.5
158.90672	0.2
159.01491	2.9
160.01688	0.3
160.97565	0.1
185.01103	0.2
198.91945	0.2
199.98792	0.4
201.02544	100.0
202.02715	8.5
265.25787	0.1
343.03683	3.1
344.03699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36047	0.4
59.01370	0.6
65.44252	0.4
69.41917	1.3
69.42319	0.8
70.66342	0.4
71.01373	2.5
73.04095	0.5
85.02913	0.4
86.60111	0.4
92.12954	0.4
92.41216	0.4
93.03445	3.8
98.22681	0.5
108.02179	12.3
109.02962	26.1
110.03298	0.4
115.00365	4.4
116.07205	0.6
118.42603	0.5
119.05061	1.0
121.02960	1.7
122.03748	9.2
123.04584	2.0
130.08731	4.1
131.04993	0.8
133.03014	0.4
133.06592	0.7
135.04530	3.8
136.05312	0.5
137.02454	0.5
138.09280	0.6
145.06572	2.1
146.03728	0.8
147.04504	1.6
147.08237	0.5
152.07191	0.9
161.06097	1.0
162.01529	0.4
163.04002	0.5
166.08659	0.6
179.03488	1.2
180.04291	0.9
183.08165	0.5
197.06151	0.6
199.07712	0.5
213.09132	0.9
221.16765	0.6
225.05611	0.8
226.06361	16.7
227.07130	12.2
228.07457	0.8
235.07767	0.6
239.07071	1.2
240.07852	0.6
253.08693	2.7
254.09244	0.6
255.10260	100.0
256.10596	9.4
299.09122	0.7
309.14560	4.8
326.17142	2.3
343.08142	10.9
343.19748	2.0
344.08578	1.2
344.18210	0.8
365.63617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
51.55360	0.8
53.04468	1.0
58.59328	1.0
59.01380	1.4
67.92123	1.0
69.22179	4.1
69.22582	2.0
83.01388	69.7
84.01709	1.1
121.02962	1.7
145.06578	1.3
146.22357	1.1
187.07651	1.7
189.05603	5.1
203.07213	2.2
213.05659	1.4
215.03571	4.6
215.07114	1.3
216.04254	1.3
229.05078	4.8
231.06627	36.4
231.09001	2.1
232.06923	2.8
255.06636	3.5
257.04709	4.8
257.07687	0.9
259.06113	40.1
260.06393	3.0
269.04590	3.6
285.04004	3.1
286.05017	1.4
299.09164	7.2
300.06000	1.3
301.07233	3.6
313.03540	32.4
314.03815	1.3
328.05887	76.1
329.06345	7.0
343.08224	100.0
344.08533	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	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
56.39050	1.0
59.01376	15.2
60.24453	1.0
60.55973	0.9
64.50262	1.1
71.01386	1.1
88.57184	1.0
109.02939	4.5
109.06609	3.3
113.02450	1.1
116.07192	1.7
117.90283	1.1
119.05020	3.5
119.52287	1.1
121.02964	11.0
134.04668	1.6
135.04524	4.2
137.05072	2.2
137.06088	29.3
160.71265	0.9
166.06372	1.7
181.05061	100.0
182.05328	5.0
226.11987	2.6
343.10367	17.0
343.19720	4.5
344.10721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1186
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
51.70954	0.8
55.93896	0.7
58.56318	0.7
59.01374	1.5
67.61547	0.8
68.92370	0.8
69.03448	1.6
71.12447	0.8
81.83688	0.7
87.20454	0.7
95.05042	1.2
95.24841	0.9
108.02186	2.5
109.02940	2.6
121.02968	6.2
122.03740	3.3
123.04512	2.5
124.01651	1.3
126.94939	0.8
133.38127	0.9
135.04533	8.0
136.01657	76.2
137.02454	33.4
138.02747	1.8
146.03740	0.9
147.04501	2.8
151.04001	70.8
152.04356	3.1
159.04494	3.3
160.05284	4.3
161.06046	2.2
163.04008	5.9
164.04620	1.0
171.10208	1.0
175.03934	1.3
175.07671	2.5
176.04744	1.2
177.05563	2.2
179.03496	1.0
179.07133	1.0
187.04015	1.4
189.05400	1.1
191.07199	1.6
202.94003	0.9
211.13379	1.3
229.14372	2.4
237.15028	0.8
240.13908	0.8
245.09229	0.7
253.20584	0.8
267.06631	1.6
268.07364	1.1
282.08978	1.8
283.09784	2.7
312.96133	0.8
313.10861	0.8
343.11835	100.0
344.12183	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1186
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
59.01372	1.0
62.15876	0.7
69.03468	1.5
84.43459	0.8
92.02648	0.7
96.56602	0.7
108.02168	2.9
109.02938	2.1
121.02957	5.4
122.03724	2.2
123.04500	2.5
127.87029	1.0
135.04515	5.5
136.01657	100.0
137.02454	32.0
138.02837	1.1
147.04466	0.8
151.04002	90.6
152.04355	4.5
159.04510	3.2
160.05357	3.3
161.06050	2.3
161.32280	0.8
162.03227	1.9
163.04005	0.9
169.27875	0.7
175.07657	1.7
176.04744	1.4
177.05611	2.9
189.05589	2.0
191.07143	2.0
267.06638	0.8
268.07327	0.8
297.11304	2.2
313.10989	1.2
343.11847	73.2
344.12195	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79347	0.7
59.01369	2.0
66.03480	0.7
71.01379	2.1
73.04069	34.8
74.02475	11.4
81.02208	0.7
82.06596	0.9
83.02477	1.7
87.05624	0.9
93.03445	2.8
96.00915	1.8
98.02474	2.2
98.22606	1.8
108.02163	6.1
109.01698	2.3
109.02965	13.9
113.03600	4.3
115.00385	2.4
115.08791	3.7
116.07182	9.0
119.05016	4.0
121.02947	1.5
122.03750	4.4
123.04524	0.9
124.03979	0.8
124.07658	1.9
125.07202	1.3
126.09240	1.5
127.08765	0.8
128.03540	0.8
129.10361	3.8
130.06226	3.7
130.08739	61.0
131.09106	1.6
135.03482	0.8
135.04530	10.7
136.04945	1.0
138.05626	4.1
138.09232	1.0
143.11911	7.7
145.06570	0.9
146.03687	0.7
148.49419	0.7
149.37671	0.6
152.07230	0.7
153.06696	1.0
155.08205	1.9
163.03981	1.7
166.08705	2.9
168.09016	3.4
169.09831	1.6
179.03452	3.8
180.03809	1.2
183.15016	0.9
185.16589	18.5
186.12419	0.8
194.11813	2.1
195.15010	0.8
200.14145	1.0
209.09161	0.8
210.07616	1.3
211.12456	0.6
211.14525	3.5
212.10374	4.0
221.16576	1.4
226.06316	7.6
226.19969	0.8
227.07141	10.1
229.15543	7.0
242.18739	16.4
243.19225	1.6
253.08702	1.2
255.10258	48.3
256.10562	3.1
265.15692	1.0
268.16772	1.2
299.09320	0.9
299.20926	3.9
309.14560	10.9
326.17194	8.9
328.85721	0.8
343.08331	7.4
343.19836	100.0
344.20477	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03438	2.5
59.01377	2.1
65.02928	0.7
68.58875	0.7
69.03442	0.8
69.13272	3.6
71.05025	1.9
73.02903	0.7
81.03497	0.8
83.05013	3.1
84.02165	3.3
85.02949	2.7
85.06609	1.6
87.04516	3.1
90.70670	0.7
95.05016	5.8
97.06595	1.1
111.04513	0.9
111.08210	0.8
113.06092	2.3
121.02969	1.0
125.09721	2.1
127.11289	2.0
135.08144	1.1
148.05907	0.7
149.09677	0.6
153.09247	0.7
155.14487	1.0
163.11200	0.8
167.14381	1.1
171.10280	11.8
177.12738	0.8
182.04607	1.1
183.13889	3.0
185.11765	1.4
193.12257	1.3
193.15994	1.6
197.11827	1.6
201.11250	0.8
209.11786	4.5
211.13391	15.8
212.13702	0.8
221.11853	1.0
229.14439	18.8
230.14758	1.4
237.14972	14.4
238.15178	1.1
239.12839	1.2
249.14963	2.7
255.16043	1.0
266.56488	0.7
267.16193	1.1
283.08524	0.7
289.18073	1.8
307.19168	2.1
325.20193	10.7
326.20554	1.0
335.04337	0.8
343.21240	100.0
344.21530	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01381	5.6
69.03455	0.6
69.51438	1.1
71.01376	0.8
71.05009	1.0
72.99316	0.5
73.02917	0.5
80.02694	0.4
81.03459	0.4
83.05009	1.7
84.02181	3.2
85.02946	0.6
85.06572	1.7
87.04517	1.9
95.05022	5.4
97.06598	0.9
98.10437	0.3
101.68845	0.3
109.06569	0.5
113.06081	3.5
119.84141	0.4
121.02934	1.6
125.09675	0.4
149.13310	0.4
151.11310	0.5
167.14366	0.5
169.12343	5.1
170.12830	0.4
171.10301	0.9
175.14940	0.7
181.12312	0.7
183.13928	0.5
193.12370	2.6
197.11830	12.3
198.12207	0.7
199.13409	1.8
211.13393	10.8
212.13808	0.6
219.13911	1.6
221.15640	0.5
227.12801	0.9
229.14452	1.1
235.13318	0.7
237.14960	5.4
281.21112	0.4
289.18250	0.6
301.20190	1.0
307.19086	0.6
314.25668	0.4
325.20291	2.5
343.21240	100.0
344.21567	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47243	1.0
65.09665	1.1
71.43999	1.3
72.99311	12.9
75.00870	10.9
87.29158	1.1
105.01925	2.7
138.05696	1.1
145.80695	1.1
148.46620	1.2
255.23283	100.0
256.23636	7.3
304.91492	1.5
343.24960	1.9
343.28491	39.3
344.21991	7.8
344.28787	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
61.98861	5.5
71.41456	7.6
80.94202	6.7
84.15809	6.2
121.02970	15.5
171.10287	43.7
225.15010	7.4
343.24875	100.0
344.25015	12.4
360.01779	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.09978	2.5
51.67232	2.5
59.01373	7.7
67.04876	2.8
103.01497	2.5
108.72928	2.7
121.02944	13.2
121.10237	9.9
139.11349	2.5
147.68224	2.6
171.10278	59.6
172.10661	4.1
179.03482	3.7
192.95851	2.7
241.34062	2.2
244.85225	2.2
261.00327	2.5
268.44901	2.5
343.24896	100.0
344.25284	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	344.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	37.1
60.78463	1.9
69.59892	6.4
69.60271	4.6
71.01379	26.2
72.00910	11.3
78.95911	3.5
85.02941	2.7
88.04039	2.4
89.02441	27.8
98.22654	3.6
101.02430	6.8
109.64226	2.3
113.02446	4.4
119.03490	5.4
123.04511	8.1
136.94009	5.6
147.04524	39.3
161.04558	3.4
163.24802	2.0
164.07161	100.0
165.07536	4.3
179.05566	4.7
255.90555	2.2
266.00650	3.8
284.01123	6.0
296.99371	2.3
344.18079	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	344.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
76.90246	50.2
100.92169	48.6
106.04868	48.7
106.28645	38.7
217.07188	77.3
268.71902	48.2
301.16696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	23.7
59.01381	3.7
69.65032	0.8
69.65368	2.6
69.92760	0.8
71.01383	1.1
73.04070	2.5
74.02472	31.6
82.06622	3.5
87.05637	1.3
88.04041	96.8
89.03775	0.8
97.04100	0.8
98.02462	2.2
101.07137	1.0
108.08151	1.3
112.07704	2.0
115.05117	2.3
116.03550	1.9
118.05087	1.4
123.04515	0.9
126.04337	1.0
126.09234	2.1
127.05128	0.9
127.87843	0.8
128.03545	2.1
129.09407	1.2
129.10341	17.1
130.08714	2.0
130.10716	1.1
131.08990	1.0
139.08777	2.8
141.10281	1.0
143.11899	12.0
147.47188	0.8
152.07202	12.4
157.13446	13.1
168.11362	1.2
169.09840	1.6
169.13484	1.7
183.11354	1.6
189.44577	0.8
195.14970	2.1
197.16602	3.5
197.21156	0.7
199.18195	1.7
201.12451	13.9
206.83461	0.9
211.10902	7.1
213.10745	1.2
214.15602	16.7
215.15891	1.0
225.16063	8.7
226.16397	0.9
228.07335	0.8
243.17139	2.4
256.10654	2.5
256.16644	1.3
256.17572	1.2
256.20285	9.5
282.21869	1.1
300.15625	100.0
300.19226	33.2
301.15939	7.5
301.19574	2.2
302.59366	0.8
326.16931	1.2
344.18225	8.8
344.21838	12.1
345.22208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.4
60.80884	2.0
61.98830	2.7
67.68164	2.0
71.01381	6.4
72.00904	2.5
73.02975	2.8
74.02451	3.0
81.02189	5.4
82.03010	3.8
87.05644	2.8
88.04025	3.7
88.98822	2.2
89.02465	3.2
93.03439	2.7
96.00919	9.3
97.04041	2.6
98.02460	20.4
101.02451	3.3
108.02199	2.5
109.01728	2.3
109.02972	11.1
110.03279	3.1
113.02419	5.1
113.03593	7.6
115.00362	3.8
116.07183	25.1
119.05047	6.3
120.05357	8.0
122.03727	4.1
123.04539	4.5
124.07659	10.5
126.05605	3.5
129.10315	3.1
130.08740	50.9
131.85938	2.3
135.04529	49.5
135.62582	2.3
136.04828	39.9
138.09264	9.7
139.07635	6.0
139.08702	4.1
140.07161	5.0
143.11748	2.5
147.42789	2.2
151.08684	2.6
152.07158	24.2
161.04555	3.1
163.03995	4.3
164.04395	5.6
165.09193	2.9
166.08731	13.6
167.03442	3.1
179.03517	20.6
180.03806	16.9
181.04755	2.7
181.08685	2.8
182.09082	2.9
183.06578	3.9
185.16624	5.4
211.14554	8.8
213.08730	2.1
219.14867	4.1
221.16580	11.4
227.06737	4.1
228.07401	4.1
228.17386	2.4
229.15627	12.1
244.94289	2.4
247.14537	9.6
255.10272	10.5
256.10629	49.8
257.13068	5.5
265.15625	10.3
300.15698	4.8
309.14536	100.0
310.14908	10.2
323.79807	2.5
326.17212	55.9
327.17596	3.1
336.66586	2.5
344.18027	25.2
345.15085	3.9
366.07104	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	344.219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	2.3
59.01376	8.8
59.59365	1.0
66.03494	1.0
69.12019	6.7
69.12429	2.1
71.01380	3.2
72.00903	1.8
72.99318	1.4
74.02472	89.9
75.02808	1.4
75.54169	1.3
82.06621	2.5
84.00905	1.1
85.02978	1.4
88.04040	2.5
89.02441	2.1
96.85116	1.4
101.02425	1.3
104.03533	1.4
105.36939	1.3
109.02956	3.8
110.03283	1.5
112.07658	1.6
114.05595	1.7
118.05096	5.4
123.04505	4.5
126.09242	4.1
129.10338	44.2
130.08696	2.6
133.03008	2.9
134.03299	3.6
135.04501	7.3
136.03828	2.6
136.04854	4.3
137.06062	1.3
138.05530	1.5
138.06471	1.4
139.07796	1.1
139.08786	4.7
143.11899	30.0
151.07294	1.7
152.07158	3.3
153.10339	1.6
161.02428	8.6
161.04532	1.2
162.02785	11.5
163.02910	7.0
163.07361	2.2
164.03247	6.6
167.03490	4.1
167.08223	1.5
169.13470	5.0
179.03523	3.4
180.03851	3.3
180.07947	2.8
181.05147	2.1
181.08322	7.2
182.05518	4.9
182.09006	5.0
187.10921	1.9
195.15030	6.9
197.16583	7.1
199.18207	2.8
225.16071	22.7
226.16202	1.4
238.39609	1.3
240.17137	1.7
243.17099	6.6
256.10538	10.3
256.20288	30.4
257.20731	2.1
282.18292	2.8
282.21906	3.5
300.19266	100.0
301.19479	8.5
344.10333	3.6
344.18384	2.0
344.21893	46.4
345.11905	1.2
345.15430	2.1
345.22134	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	344.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38331	0.7
59.01377	25.3
69.91027	0.9
69.91367	1.3
71.01393	5.0
73.04072	7.9
74.02488	1.4
82.06636	0.8
83.02526	1.0
83.18800	0.6
85.02970	2.1
89.02456	2.8
98.02482	0.8
98.22599	0.8
101.02445	1.6
101.07222	1.1
113.02456	1.9
114.09275	1.3
119.03548	0.9
121.06620	1.4
121.10184	1.2
123.04547	0.9
125.10868	0.6
127.05148	2.2
129.10336	1.8
130.08739	100.0
131.09128	3.2
139.07635	2.6
139.08774	5.4
140.07149	3.9
141.10370	5.1
143.11877	3.2
145.06197	2.2
152.10876	0.7
164.03517	4.4
169.08495	1.0
169.09822	14.4
174.23100	0.7
183.06537	1.0
183.10132	0.7
186.12469	1.2
195.11142	0.8
199.18158	35.4
200.18428	2.0
209.16412	0.7
213.12448	4.5
228.33093	0.7
231.12085	0.9
243.17162	4.8
256.17844	0.9
256.20282	13.1
257.12778	0.9
257.20508	1.2
260.11066	1.1
300.19284	33.2
301.19406	2.7
326.17191	1.1
326.20639	1.0
344.21591	68.1
345.15668	4.6
345.21863	5.6
366.15909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20569	0.4
59.01386	2.7
59.29456	0.4
59.84882	0.4
61.37532	0.4
66.03493	0.5
69.64309	0.4
69.76783	1.4
71.01385	0.6
71.02505	0.6
73.04066	13.8
74.02478	0.9
79.70915	0.4
82.06621	4.0
83.02496	2.8
84.08192	1.1
85.02959	0.6
89.02419	0.7
97.06601	0.6
102.90578	0.4
112.07684	0.7
114.09245	0.6
123.04521	0.5
125.10816	0.9
129.10291	2.2
130.08739	100.0
131.09126	2.2
139.08803	3.8
140.07176	4.5
141.10326	5.2
143.11897	5.6
152.07085	0.5
164.03517	1.5
165.01881	0.5
168.11530	0.5
169.09831	15.2
182.02173	2.9
182.15488	3.9
183.02991	2.2
184.17070	0.4
186.12524	1.0
195.11462	0.6
196.09799	0.5
199.18152	38.6
200.18486	1.7
213.12410	5.6
228.17151	0.5
243.17110	5.4
256.20300	15.9
257.20670	1.4
300.19284	41.6
301.19525	4.0
344.21841	72.2
345.08246	1.7
345.15610	1.0
345.22137	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	344.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78333	8.8
64.96284	8.8
69.63497	33.3
71.40032	9.6
72.99300	11.2
85.01929	8.5
85.50386	8.3
98.22649	16.0
102.95528	8.5
255.23288	24.9
256.23663	88.7
344.22012	100.0
344.28619	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.33378	1.0
53.64731	1.0
55.01870	3.3
57.03439	3.4
58.00570	1.3
59.01378	66.3
69.31115	5.9
71.01381	51.7
71.05016	1.1
72.01723	1.2
72.99298	1.9
73.02935	13.4
78.95911	1.7
83.01376	6.0
85.02950	20.5
87.00854	2.7
89.02441	21.0
95.01405	5.2
96.96037	2.0
99.00868	5.2
101.02444	39.8
105.25361	1.1
108.02176	16.9
113.02457	19.0
119.03497	11.0
121.02961	4.4
121.10249	5.5
123.04519	4.9
123.20999	1.3
126.20536	1.1
132.99229	1.0
133.49162	1.2
147.04427	1.3
161.04530	4.0
167.03462	1.3
172.71077	1.1
183.10291	1.6
220.98186	1.1
259.13855	1.7
326.21222	4.4
328.22754	7.4
345.15521	100.0
345.22855	7.3
346.15964	8.6
346.23804	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01869	1.8
57.03451	5.3
59.01375	11.4
60.03868	0.4
67.01893	0.6
69.03458	0.5
69.20144	2.5
71.01380	23.2
72.99303	3.0
73.02942	4.9
75.00871	41.8
83.01391	1.7
84.02175	0.5
85.02946	32.7
86.03277	0.8
87.00871	10.2
89.02418	2.3
90.71717	0.5
93.01818	0.4
95.01366	2.4
96.03669	0.4
99.00878	5.4
101.02428	1.1
103.00381	0.7
112.01649	1.8
113.02444	24.7
114.02796	0.7
115.00376	0.9
116.01135	1.5
117.01962	1.7
121.97382	0.4
129.01952	1.5
129.98264	0.5
157.01422	1.2
169.12291	0.6
175.02464	0.9
245.72575	0.4
269.14206	0.4
285.13449	1.4
307.03561	0.5
327.14307	1.0
345.15521	100.0
346.15814	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	345.1555
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01871	2.0
57.03446	1.4
59.01382	73.0
69.03452	1.8
69.41449	1.8
69.41833	2.3
69.73394	0.8
71.01382	29.6
72.99309	3.5
73.02956	1.4
80.95513	0.8
83.01382	2.3
83.05042	0.9
85.02945	5.9
87.00864	1.5
89.02444	29.5
95.01387	2.4
99.00878	1.0
101.02451	19.3
113.02458	10.1
115.04781	0.8
119.03500	12.6
119.08644	0.8
121.10240	40.0
122.10596	1.7
123.04520	2.5
131.03537	1.4
137.09727	8.3
138.59569	0.8
143.03555	1.0
165.09218	55.5
166.09549	2.9
167.08578	0.9
179.05661	1.8
183.10275	33.8
184.10529	1.7
209.08032	0.8
243.09175	0.9
345.15543	100.0
345.22665	3.4
346.15845	8.9
348.21500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.228
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.72170	0.7
51.18314	0.7
59.01375	6.5
61.98817	1.3
66.06138	0.8
67.15369	0.8
73.02937	1.6
76.25716	0.8
77.74159	0.8
78.95916	0.9
79.34121	0.7
83.04998	1.1
84.02138	2.0
99.08147	2.0
113.09737	2.6
115.01273	0.8
123.04523	2.8
125.09734	2.2
127.11241	2.1
129.09204	2.1
137.09752	1.7
139.95195	0.9
141.09225	4.0
154.36104	0.8
155.10770	1.4
169.12434	2.1
171.10255	21.6
172.10567	1.3
185.11826	8.1
197.11804	6.1
201.06508	0.8
201.11353	5.8
209.11867	1.9
213.11267	1.3
215.12814	1.6
262.50922	0.8
291.19815	1.0
327.21863	3.1
345.22794	100.0
346.23166	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25289	0.7
59.01379	100.0
60.01717	11.1
61.01812	2.4
61.98829	94.9
80.36513	0.6
115.04329	0.7
141.01289	0.8
157.03535	1.2
158.03693	3.5
159.03300	5.5
160.36504	0.8
161.01183	1.6
170.06244	0.7
201.00830	0.9
201.02539	11.6
202.02719	44.6
203.02281	53.2
203.99834	50.7
204.02573	18.6
205.00139	4.3
205.02849	1.3
207.66176	0.7
208.10915	0.7
222.38342	0.6
232.97806	0.7
338.55975	0.9
346.04077	3.5
347.03110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.44724	0.4
57.91484	0.4
60.19976	0.4
71.01371	1.2
75.43207	0.4
78.95904	100.0
85.02970	1.2
87.00871	2.3
96.96960	24.6
107.03648	0.7
111.00876	4.4
111.54578	0.4
115.00349	1.0
126.98904	0.8
134.04727	13.9
135.05167	0.6
138.98001	1.7
147.94426	0.5
150.98010	2.7
175.02512	0.7
176.74306	0.4
182.97881	1.3
191.01991	3.8
192.99055	1.1
200.98915	0.6
211.00166	2.4
242.99957	1.0
262.89334	0.4
346.05548	31.7
347.05801	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	346.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03453	1.3
59.01368	1.0
62.96405	0.5
70.75889	0.7
71.01373	3.2
71.98167	0.4
73.02917	0.7
73.82198	0.4
74.02488	1.0
75.00877	0.5
78.95903	100.0
83.01395	1.6
85.02945	1.1
96.96960	25.6
97.58289	0.4
99.00880	5.3
103.00353	0.8
107.03642	0.8
111.00885	1.4
112.98818	3.9
114.37098	0.4
115.00325	0.5
125.02407	3.8
128.03531	0.7
129.01913	2.4
130.08734	1.9
133.01537	0.9
134.04729	14.9
135.05057	0.5
138.98015	1.2
142.99861	4.8
144.97289	0.4
145.01480	0.4
145.09850	0.7
150.04182	1.2
150.98030	2.5
157.84505	0.4
173.00854	3.4
192.98941	0.5
211.00153	5.3
245.13449	0.4
248.09100	0.5
255.59409	0.5
315.20279	0.6
332.45343	0.5
345.17377	0.8
345.21442	1.3
346.05554	29.8
346.21790	0.7
347.05890	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	346.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88019	0.4
53.60735	0.4
58.52487	0.4
59.01377	7.3
60.01704	0.6
61.98833	3.2
62.96406	0.9
65.73626	0.4
67.24091	0.4
70.68806	0.5
70.79295	0.9
71.01373	0.8
73.04075	1.0
74.02494	2.5
78.95905	88.2
84.04579	0.7
88.04042	1.2
96.96962	22.3
96.97601	1.1
104.03554	1.9
105.07932	0.4
107.03619	2.5
109.04101	0.6
112.98814	0.6
120.96972	6.3
123.04545	0.6
127.05154	2.4
128.03546	2.2
129.10327	1.5
130.08730	0.9
134.04735	39.4
138.98030	0.5
140.07199	0.8
143.11874	0.6
145.06223	3.0
145.09770	1.0
150.69293	0.5
150.98007	1.2
155.11862	1.2
169.09883	1.2
180.10329	1.1
186.12477	1.2
188.01079	0.6
196.14563	1.9
197.14911	0.9
199.10876	0.8
201.02563	1.1
202.02740	2.9
202.98781	0.6
203.02290	2.9
203.98253	1.0
204.00018	1.0
204.02699	0.7
211.00128	100.0
212.00526	2.7
215.93053	0.5
223.10779	0.5
259.12930	0.7
271.17606	0.7
298.14050	1.1
315.16672	0.5
316.15009	0.7
328.15195	0.8
345.17816	3.1
345.21115	1.0
346.05566	23.6
346.16324	4.5
347.05939	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	346.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01382	6.2
59.09076	0.8
69.63053	2.4
71.01372	2.7
72.59184	0.8
73.02953	1.1
78.95922	2.2
85.02958	1.4
89.02435	1.4
97.06615	0.9
98.81571	0.7
99.20011	0.9
101.02453	3.1
108.02164	16.8
110.78492	0.9
111.30772	0.8
113.02450	1.9
120.99680	1.7
121.02969	2.6
122.03742	1.4
124.04838	0.9
155.10823	2.0
161.04486	0.9
191.29669	0.7
192.05165	0.7
194.53424	0.9
196.01224	0.9
203.03905	0.7
225.18515	1.4
229.14346	1.2
255.09567	0.8
260.16498	1.2
262.21750	1.6
275.47800	0.8
280.22742	3.8
282.24377	3.7
298.23773	5.4
300.25400	7.1
302.21216	1.9
320.30273	0.8
326.21262	3.1
328.22794	7.6
329.23160	1.0
346.25787	100.0
347.17361	3.7
347.26108	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	347.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48387	31.4
55.33728	38.9
59.01363	100.0
61.98817	53.2
63.68552	32.4
71.46954	39.5
73.49920	44.2
74.90078	35.1
78.12897	34.3
84.71739	33.2
85.06278	35.9
89.02444	58.9
101.15606	35.1
111.81369	40.6
276.70578	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09312	61.8
59.01368	76.8
70.31611	98.3
78.95908	100.0
124.23230	50.8
128.21652	49.6
128.28175	61.3
161.13470	57.4
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
50.77505	1.1
59.01378	55.8
59.67994	0.8
67.57720	0.9
69.03435	1.4
69.22520	3.9
71.01378	26.5
72.01695	1.1
72.46343	1.0
72.99300	4.2
73.02944	1.5
83.01369	1.5
85.02943	4.4
87.00883	2.0
89.02444	26.0
94.58955	0.9
95.01379	2.7
98.21862	2.3
98.24631	1.0
99.08138	1.4
101.02438	18.2
104.00143	0.9
113.02454	9.6
119.03503	13.7
131.03517	1.5
139.11296	4.5
143.03474	1.0
163.91974	1.1
164.40904	0.9
167.10765	91.7
168.11111	4.9
174.42703	1.0
185.11816	24.6
186.12250	1.3
204.50894	1.0
275.71384	1.1
293.75296	1.1
306.63779	1.1
347.17090	100.0
348.17322	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	347.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70632	16.6
58.02966	28.3
58.69113	16.5
59.45369	16.3
67.60682	15.5
70.21556	14.5
70.99371	19.3
79.54745	13.7
87.34884	16.1
88.38239	16.9
110.61060	15.3
161.18633	15.7
168.13930	100.0
211.76953	15.1
292.44977	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	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85081	0.9
58.60649	0.9
59.01377	100.0
61.98838	1.8
70.78452	1.2
91.04007	1.3
91.50660	1.0
110.00105	0.9
126.04213	1.1
213.14911	3.9
214.46541	1.0
259.40277	0.9
347.18713	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	347.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23311	0.7
68.41530	0.7
69.21917	4.9
78.95899	14.2
88.89973	0.8
96.96959	2.4
111.01968	0.9
112.57821	0.8
114.05582	1.4
128.69807	0.7
131.08261	100.0
132.08597	2.5
134.04686	1.0
142.99881	1.8
156.07777	2.9
158.44511	0.8
173.00856	1.1
173.10423	78.2
174.10788	2.5
203.51807	0.9
267.10950	0.8
335.80362	0.8
347.05771	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	348.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
61.98825	1.2
64.44085	0.9
67.35018	0.8
69.54016	1.3
69.54395	1.9
71.01395	0.9
72.00906	3.6
82.06642	1.7
84.08213	1.0
85.02979	1.0
87.05638	20.7
91.05534	6.3
97.04049	3.9
98.22681	1.2
102.02729	0.9
118.06649	2.7
122.03589	0.9
129.10336	7.2
130.08737	12.2
131.05052	1.0
147.04518	18.3
148.04865	1.1
153.10361	3.2
155.11844	4.6
157.13495	2.0
164.07167	51.3
165.07451	1.7
182.12932	4.9
183.11382	11.8
191.63994	0.9
200.14040	39.2
201.14236	1.5
211.93845	0.8
216.13953	1.8
217.09816	1.4
219.57332	0.8
233.16603	3.4
260.91547	0.8
289.45074	0.9
304.20193	5.9
305.20685	0.9
348.19296	100.0
348.23889	3.3
349.06802	1.0
349.19525	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	348.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52610	0.7
59.01372	3.1
61.98841	1.2
64.05843	0.8
69.18449	4.5
71.01361	1.1
72.00909	3.7
82.06621	2.4
87.05638	22.3
91.05544	6.1
96.96014	0.9
97.04075	4.9
98.22619	1.4
101.02426	1.3
112.07694	1.2
114.09194	1.1
118.06636	2.7
129.10329	6.9
130.08737	13.9
131.05005	1.0
147.04532	18.5
153.10339	4.3
155.11903	3.3
157.13454	1.8
164.07159	53.2
165.07526	2.1
178.66325	0.8
182.12973	5.3
183.11404	14.4
184.11688	1.1
200.14041	45.5
201.14316	1.6
216.13933	2.6
217.09856	1.7
233.16605	3.7
304.20264	8.2
348.19281	100.0
348.24008	3.7
349.19614	12.4
354.34680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42219	0.3
59.01381	2.1
59.42932	0.3
60.01718	0.3
61.98830	100.0
62.98521	0.9
63.99257	1.7
66.08540	0.3
69.18222	0.8
69.18634	1.3
71.42200	0.3
85.45306	0.4
95.34078	0.3
98.21810	0.4
115.54562	0.3
134.49876	0.3
142.19022	0.3
162.98499	1.3
203.02264	0.4
204.00044	1.7
204.02715	0.5
205.00124	5.2
205.02649	0.6
205.99739	7.8
206.82425	0.6
206.97450	47.7
207.00490	1.2
207.93288	0.4
207.97603	2.9
211.01266	0.4
262.39703	0.4
342.67984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12825	0.6
57.32470	0.5
58.61277	0.7
59.01377	4.4
59.01645	0.9
69.91699	1.7
71.01376	2.6
72.99302	3.1
75.00873	4.6
78.95912	1.0
98.22576	0.8
99.00871	1.5
105.01934	100.0
106.02291	1.7
112.98870	0.7
129.01924	0.9
130.08754	2.8
142.99866	5.3
145.01453	0.8
163.03999	0.7
180.06746	4.6
180.08165	0.9
218.02277	1.0
289.07794	2.7
300.05936	0.6
307.10403	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33961	0.9
59.01374	5.3
71.01369	1.3
72.99302	7.0
75.00862	5.2
87.00839	1.1
89.02460	1.3
105.01934	100.0
106.02251	2.0
115.00391	1.8
132.49074	1.1
142.99893	1.1
145.01358	2.1
154.97493	3.2
191.39923	1.1
313.36887	1.2
348.91074	1.8
349.09323	1.6
350.07681	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01378	7.2
60.05733	0.7
71.01376	2.3
71.38029	0.7
71.45063	1.0
73.02975	0.9
85.02961	1.3
87.05645	2.2
87.72244	0.7
89.02446	1.9
96.96060	1.1
97.06591	5.0
98.43736	0.9
101.02436	2.2
113.02453	2.5
113.89784	0.8
116.76692	0.8
119.03436	1.1
123.08167	2.0
125.09722	49.1
125.14747	0.7
126.10048	1.6
130.08737	3.9
131.09108	1.4
138.41330	0.7
143.10764	1.1
148.07632	1.0
152.03540	0.9
153.55310	0.8
161.04527	1.0
167.10812	2.1
169.08717	1.7
187.09756	100.0
188.10117	6.3
201.11374	1.2
211.09764	4.4
229.10773	2.0
314.20761	2.1
349.03116	1.5
349.13791	2.8
349.19092	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	349.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94224	2.2
57.92630	2.3
59.01374	12.2
59.15237	2.1
65.31444	2.2
70.92831	2.7
71.01369	4.2
73.04071	45.6
74.02488	2.9
78.95905	3.0
82.02980	3.8
83.02516	11.4
84.04571	3.1
85.02944	2.7
88.04048	8.3
89.02452	3.1
96.96950	3.8
99.92672	2.5
105.01927	4.2
109.02925	3.0
109.04080	12.5
113.02476	2.4
114.05621	2.3
115.74262	2.2
118.99285	5.1
127.05133	54.8
128.03537	10.0
132.28116	2.4
135.04489	5.3
145.06195	56.1
146.06111	16.6
146.08167	2.9
161.06097	4.5
164.07176	3.9
171.04552	3.5
172.96719	7.4
176.99844	7.0
187.00400	2.6
187.95532	3.4
189.05573	30.9
190.05940	3.1
190.97856	7.7
203.08244	30.7
204.08582	3.2
204.99275	4.7
207.06482	3.6
213.10341	31.6
221.09317	8.1
231.11345	23.3
232.98897	3.7
251.10388	10.1
257.09244	2.9
311.07544	5.5
319.05981	3.1
331.14011	9.6
348.99936	4.2
349.15164	100.0
350.15231	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48579	0.8
55.01863	2.0
57.03433	3.5
58.00576	1.1
59.01378	100.0
60.01726	0.9
61.98833	5.9
69.03440	0.8
71.01381	65.8
72.99298	1.4
73.02940	10.0
73.04060	2.7
74.02452	0.8
75.00869	1.1
80.07494	0.6
83.01382	5.0
83.69299	0.7
84.35683	0.8
85.02947	17.9
87.00874	2.5
87.04490	1.8
88.04030	1.1
88.29984	0.7
89.02445	58.7
90.02813	1.4
92.50890	0.8
95.01395	4.7
96.96017	1.4
99.00861	2.9
101.02444	41.3
113.02452	26.1
114.02782	1.0
114.05614	1.9
119.03502	26.8
119.04964	1.9
125.02479	1.4
129.01936	1.1
129.10349	1.7
130.06229	1.1
130.08745	1.5
131.03508	3.3
143.03506	4.5
144.04617	1.1
148.04353	2.1
149.04602	2.6
152.07129	1.0
159.03030	2.0
161.04572	19.0
168.11494	0.9
169.08641	0.9
169.09877	1.1
170.13829	0.7
179.05647	10.8
180.06662	3.1
186.12430	1.8
187.04060	0.8
187.13399	9.4
199.10910	1.0
217.13481	1.0
218.13860	2.0
226.60011	0.7
249.15991	1.1
259.47998	0.9
275.16147	1.0
293.38055	0.8
314.17273	1.3
319.14856	1.6
349.18890	53.9
350.17279	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	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.38554	1.3
53.58530	1.0
55.01876	3.1
57.03437	3.0
58.00580	1.3
59.01377	100.0
60.19525	0.9
61.98817	3.9
62.64534	1.0
69.46104	3.1
69.84061	0.9
71.01379	69.4
72.99298	2.3
73.02946	9.0
73.04057	3.1
83.01372	5.8
85.02949	20.5
87.00884	4.4
87.04511	1.7
88.03111	1.1
88.04028	3.2
89.02441	63.6
95.01376	3.7
99.00854	3.1
101.02438	42.3
113.01708	1.6
113.02449	27.3
114.05560	2.3
115.05933	1.2
119.02647	1.6
119.03500	29.1
119.04938	1.5
130.08720	2.6
131.03487	3.3
143.03510	6.8
148.04381	3.2
149.04572	3.8
159.02989	1.8
161.04547	21.4
166.90788	1.1
169.09807	1.9
176.01144	1.2
179.05632	10.9
180.06627	3.7
186.12456	1.9
187.13390	10.0
188.13728	1.1
218.13834	1.9
223.66200	1.0
249.16104	1.9
306.18460	1.4
314.17191	1.8
319.15012	1.9
349.18961	57.2
350.16760	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	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01869	0.8
56.39701	0.5
57.03445	0.6
58.00584	0.6
59.01380	41.9
60.71070	0.4
69.79138	1.3
71.01380	18.2
72.99300	0.6
73.02942	1.3
75.00867	0.5
83.01379	1.2
85.02957	3.8
87.00871	1.3
89.02446	15.8
95.01388	1.6
98.21915	0.6
99.00883	0.4
100.90256	0.5
101.01795	0.7
101.02446	12.6
113.02457	6.0
119.03493	5.8
141.12860	25.8
142.13174	0.9
142.31761	0.4
143.03459	0.5
155.14391	0.7
156.66194	0.4
161.04628	0.6
169.12334	4.4
171.13911	1.8
171.56174	0.4
174.33670	0.4
179.05667	0.5
183.13831	2.1
187.13396	51.2
188.13750	2.5
190.97888	0.6
229.14445	1.3
230.14857	0.5
238.38255	0.5
349.18655	100.0
350.19016	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	349.2747
Annotation	13E-Labdene-8alpha,15-diol 15-acetate
Peak:m/z	Relative Intensity
50.39167	0.8
59.01371	1.3
88.33984	0.8
99.80906	0.9
155.33551	0.8
175.45439	0.9
181.15958	1.0
195.17538	2.8
209.19160	1.6
303.26904	3.5
329.54062	0.9
333.71201	1.0
349.27460	100.0
350.27802	12.9
361.92978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91071	0.7
61.98832	100.0
69.19386	4.3
81.03730	0.7
85.63081	0.7
97.56866	0.8
98.44701	0.7
101.04470	0.7
102.27224	0.6
111.51572	0.7
121.02939	0.9
143.89253	0.8
153.78810	0.7
192.95961	1.6
235.42880	0.7
329.89224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04164	0.3
57.81076	0.3
59.01369	0.5
61.98830	100.0
69.82050	1.2
75.51291	0.3
97.12204	0.3
105.81840	0.3
132.56578	0.3
135.04544	2.0
143.05130	0.3
150.02483	0.3
151.00362	1.5
182.43996	0.4
287.05722	1.0
350.16174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06339	10.8
53.10884	12.3
59.01366	21.1
70.73474	26.6
75.00859	16.8
79.78989	16.3
96.95985	16.0
216.59570	14.3
223.02838	45.6
231.10193	16.7
265.14478	16.0
291.09109	100.0
307.12369	19.7
351.17087	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	350.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28798	0.8
59.01373	9.0
71.01371	3.5
71.29134	1.3
72.00900	3.4
73.04073	21.2
74.02467	9.4
82.06623	0.9
83.02504	4.0
88.04048	1.2
89.02428	2.2
93.03479	4.7
100.72826	0.9
101.02475	1.5
106.04233	1.2
106.87144	0.9
112.07677	1.7
113.02467	1.2
119.05032	20.0
126.09236	2.0
127.07626	6.1
129.10339	26.3
133.02942	2.6
134.06088	3.2
136.07686	4.0
139.08788	5.2
141.10335	6.6
143.11870	4.6
148.01686	1.0
163.04001	12.3
168.11427	5.7
169.09825	18.4
169.11266	1.1
171.06631	3.3
176.01111	3.3
176.07173	1.0
180.06654	62.5
181.07054	2.8
186.12479	36.4
186.14154	2.0
187.12767	1.1
200.14032	3.5
221.68744	1.0
228.00452	0.9
244.13017	4.3
249.16068	18.9
250.16472	2.0
293.15036	1.5
306.18222	15.0
307.18402	1.1
315.32813	1.1
350.17191	100.0
351.13022	1.9
351.17215	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	350.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82587	16.5
59.01372	58.8
59.39592	18.9
66.45831	15.6
69.71538	54.3
70.27319	18.1
71.01374	39.5
76.65657	16.5
78.28210	17.7
81.04582	18.5
82.34106	18.9
85.02950	27.3
98.21926	35.6
101.02464	29.2
106.87860	18.3
111.04521	25.3
155.03514	27.0
161.04578	22.3
199.95778	16.7
245.65982	16.9
307.17618	100.0
350.19446	29.7
351.05203	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22345	2.2
56.94361	2.5
57.03439	2.7
59.01379	29.6
60.04854	2.7
61.98834	22.5
69.98544	2.7
70.93127	4.3
71.01388	4.7
73.04062	7.2
74.02473	10.5
87.00871	3.6
87.18134	2.6
89.03971	5.9
97.31918	3.0
101.02407	3.1
105.03487	4.9
123.04523	33.0
128.03529	3.6
128.45091	2.6
131.05022	2.7
132.27058	2.8
133.02968	9.9
146.06183	2.7
147.04568	4.5
153.05569	78.6
160.01689	3.0
160.07616	3.6
161.02449	75.7
161.04498	3.1
162.02910	4.5
163.03922	5.4
170.41385	2.6
175.04021	7.1
177.01926	100.0
178.02321	7.0
188.01137	9.4
189.01923	17.4
190.02687	10.4
192.95848	8.6
201.01949	6.4
203.03471	8.8
211.43282	2.8
215.03516	10.5
216.00676	22.6
216.04175	6.3
217.01427	53.2
217.05023	9.7
218.01923	8.3
219.02965	6.0
231.03000	5.7
233.01010	3.8
242.03506	2.7
245.00894	19.9
245.04491	16.1
247.02499	19.9
263.05527	4.5
273.00406	4.2
289.03537	9.3
303.01547	5.6
307.04599	17.9
308.12430	12.9
315.10895	21.1
316.11380	3.1
333.02420	26.8
334.02972	4.5
351.03506	53.9
351.12772	4.8
351.17044	6.7
352.03760	4.7
352.14856	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	351.0738
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
59.01374	3.7
68.99830	1.7
69.48660	2.4
71.01373	3.1
72.99299	3.3
75.00877	5.8
75.02573	1.4
77.65688	0.6
83.01392	2.1
84.99309	1.2
85.01022	2.9
87.00874	2.5
89.02443	1.1
98.00143	0.7
99.00880	2.0
99.02612	1.0
99.99741	0.8
101.00523	11.0
101.02434	1.2
103.00375	2.5
105.01934	6.7
112.98807	10.7
114.98463	1.4
115.00391	1.3
115.02069	6.2
117.01932	0.7
127.02087	2.6
129.01950	1.4
129.03642	0.9
131.01572	19.3
133.01448	3.7
142.99846	1.7
143.01596	2.2
145.01448	4.7
145.03163	6.1
157.01424	1.5
157.53574	0.6
159.03015	0.8
163.81543	0.6
171.01036	3.8
173.02637	2.3
179.05536	0.7
187.02448	0.8
189.07657	0.8
192.94243	0.6
200.79964	0.6
203.00026	5.7
215.03671	3.2
231.03136	1.0
259.02579	5.9
263.05740	9.8
264.06143	0.8
270.74905	0.6
319.04843	1.3
351.07397	100.0
352.07813	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	351.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87294	2.1
58.02942	3.0
59.01378	46.1
61.98840	2.8
71.01371	11.5
71.44814	2.6
73.02942	2.5
73.04072	50.9
74.02470	35.8
77.35374	2.0
78.95918	4.9
83.01398	4.0
83.02527	2.8
85.02952	3.5
85.04073	8.0
87.00878	3.0
87.05631	16.0
88.04015	3.8
89.02452	5.5
101.02454	6.3
102.68479	1.9
111.01992	3.6
112.05163	3.2
113.02441	4.1
113.03587	19.4
115.00362	4.1
115.92001	2.1
119.05009	13.0
121.27994	2.4
123.04507	16.3
130.06216	15.9
131.04623	6.0
132.04555	3.6
135.04509	2.2
142.99852	5.4
144.07788	41.4
145.01454	2.3
151.04018	2.6
153.05579	42.8
158.06088	12.7
159.02959	5.7
161.02377	2.5
161.04509	5.1
169.64696	2.2
170.05702	9.1
176.07140	16.0
177.01894	4.6
180.06700	2.7
192.95850	8.9
201.09953	15.3
202.05099	24.6
208.99365	4.7
210.91548	1.9
217.01346	2.2
237.08818	6.3
245.08853	4.3
276.09793	6.6
291.10849	6.8
307.14063	6.0
308.12369	2.9
315.10947	10.8
315.20316	3.2
351.13025	100.0
352.13443	9.0
352.19739	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	351.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.14302	0.4
61.98836	0.5
67.61375	0.3
67.99537	0.3
70.75481	0.6
72.00909	11.2
74.23346	0.4
91.05527	1.4
103.05527	0.9
141.98251	0.4
147.04518	36.1
148.04852	1.9
164.07159	100.0
165.07524	4.7
187.98802	0.8
192.21101	0.4
197.56668	0.4
216.67900	0.4
290.63770	0.4
351.13248	15.5
352.13586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25345	1.3
58.11304	1.6
59.01381	100.0
61.98839	16.7
66.33316	1.3
71.01391	7.1
71.16159	1.9
79.61095	1.6
79.94329	1.5
80.38112	1.7
85.02961	1.9
89.02459	4.5
93.03436	1.7
98.91192	1.5
101.02421	6.1
113.02440	3.4
116.07200	1.6
133.02972	4.4
143.14549	1.4
153.00787	1.6
153.01984	4.4
161.04596	4.4
166.18228	1.5
173.04630	1.6
177.02025	1.9
184.65251	1.7
291.14474	5.3
316.06775	2.0
316.10507	2.1
351.16647	5.1
361.24762	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	351.1708
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
53.08435	5.5
53.44658	6.3
55.02989	5.2
57.95625	4.5
59.01367	8.0
61.06930	5.2
61.98801	10.3
75.00851	6.7
95.05025	7.2
104.99762	5.2
128.87782	7.6
143.93597	5.4
175.95911	5.1
186.95570	9.0
192.95943	30.6
268.65817	4.6
293.21109	32.5
314.07651	7.8
351.00244	10.8
351.13156	8.0
351.17087	100.0
352.17126	8.9
374.62094	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	351.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76986	5.2
69.69791	11.4
69.70181	11.5
96.96014	8.2
103.60822	5.1
119.06926	6.8
197.19043	8.8
305.28549	22.2
351.29074	100.0
352.29398	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	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48245	1.0
61.98832	100.0
66.83140	0.9
69.33921	3.3
79.31673	1.0
81.06583	1.1
98.22598	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	353.1863
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
53.70582	1.6
54.52275	1.6
60.67773	1.8
61.98843	3.2
73.98948	1.8
75.00869	5.9
130.68048	1.9
153.02971	1.7
195.13911	12.9
251.81604	1.9
277.21738	7.8
295.22742	48.0
296.23166	4.1
317.21127	3.1
353.18616	100.0
354.18887	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	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
69.23540	3.6
80.04399	0.8
81.17885	0.7
91.46809	0.8
163.11285	89.7
164.11623	5.8
177.09212	68.2
177.10851	1.6
178.09560	4.4
227.09795	0.9
246.84703	0.9
286.22366	0.7
353.21219	100.0
354.21503	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	354.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99596	4.8
58.76631	4.3
59.01376	100.0
68.17754	3.9
69.57925	11.3
71.01373	55.8
85.02949	9.7
89.02443	78.6
91.07401	4.5
101.02434	29.2
113.02468	24.2
119.02621	6.1
119.03479	42.4
120.87610	3.8
134.03726	10.9
137.64264	3.7
143.03477	6.8
161.04579	11.0
164.04762	4.9
178.02625	5.3
179.05635	53.3
193.05023	22.7
243.77553	4.5
272.18619	27.3
294.16785	5.8
310.37201	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	354.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57578	0.4
58.02964	1.4
59.01374	2.0
65.70346	0.4
66.03481	1.2
67.01872	0.8
67.02998	0.6
69.33302	1.9
70.02975	1.0
71.01373	0.6
74.02438	0.4
82.02984	8.2
82.06620	4.1
83.05006	0.4
84.04534	0.8
84.08186	1.4
87.55309	0.4
94.02980	1.4
96.04574	1.2
98.02473	0.7
100.07662	0.9
104.03580	0.5
107.02518	1.6
109.04065	5.3
110.02477	1.2
111.03229	0.5
112.04058	4.2
112.07685	0.4
125.03609	0.6
126.09258	3.8
127.05136	11.4
128.03539	2.9
129.10329	0.8
130.08737	94.4
131.09088	3.4
136.04031	0.8
136.11330	4.0
138.09219	0.7
139.08755	0.4
140.07167	0.9
141.10342	1.7
152.10764	1.0
154.12381	0.6
168.09045	1.5
169.09810	1.9
169.13445	0.6
176.01077	0.6
179.11887	4.4
180.10304	15.8
180.11917	1.0
181.10541	0.6
182.15408	0.7
195.07721	1.2
195.11349	1.5
197.12955	10.5
198.13440	0.7
199.18166	6.3
209.16563	2.9
222.12448	2.2
223.10867	41.7
224.11192	2.6
225.16052	0.9
240.13452	0.8
242.50230	0.5
243.17154	0.6
253.14487	1.1
267.12387	1.2
292.20313	1.1
310.21301	10.8
310.24704	0.5
311.21515	1.2
311.87701	0.5
354.20309	100.0
355.20563	11.0
375.38522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33303	1.1
58.21112	1.0
59.01368	3.8
61.95343	0.9
61.98818	1.8
62.88455	1.1
69.25010	7.0
71.01366	1.4
77.03978	4.0
83.38834	1.1
89.02453	1.3
95.05029	5.7
105.03462	18.7
123.04542	2.0
132.02203	2.4
133.02962	100.0
134.03813	11.9
149.06102	3.1
160.01674	8.8
162.58165	1.2
164.04700	1.5
175.03972	13.8
177.01927	35.5
178.02632	6.4
193.05063	16.7
207.06444	1.5
211.07516	1.4
215.71555	1.2
217.05052	3.8
239.07117	3.6
255.52612	1.2
267.06610	5.3
268.06772	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	355.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	4.0
69.94386	2.7
69.94757	2.7
71.71712	1.3
76.94650	1.5
81.03403	1.3
90.41559	1.2
93.03420	1.4
108.02168	1.9
109.02959	13.6
114.05630	2.9
121.02920	5.5
133.02908	3.7
141.07053	1.5
145.02907	3.1
158.03706	2.0
159.04498	3.6
167.04990	2.3
167.08627	4.2
169.06554	4.5
180.05841	7.5
180.07147	1.3
181.06505	2.3
183.04529	2.0
183.08133	12.7
192.00644	2.8
193.01376	11.2
193.06551	8.7
194.01781	1.4
194.07368	1.4
195.04475	7.5
195.08148	13.4
196.05296	13.7
196.12808	1.3
197.06071	10.8
205.06516	1.2
208.05289	8.0
209.06087	8.9
210.06880	6.9
211.04385	1.4
211.07640	35.0
212.08006	3.6
220.05197	1.5
221.06073	16.2
222.06773	4.7
223.03975	3.4
223.07600	13.0
224.04773	21.7
225.05502	4.3
237.05618	6.1
238.06339	11.5
239.07111	48.9
239.19104	1.5
240.07454	4.7
249.05594	9.4
250.06290	5.5
252.04240	5.5
265.04999	2.8
266.05887	8.1
267.06607	100.0
268.06882	7.3
274.43555	1.5
345.69690	1.2
355.06592	4.4
355.19940	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62461	0.4
57.26178	0.4
59.01377	9.9
63.18200	0.4
63.68887	0.4
69.16064	0.5
69.16744	2.2
71.01370	4.9
79.91821	0.4
85.02946	1.0
89.02443	3.0
95.01388	0.7
98.21872	0.8
101.02437	1.8
111.57350	0.4
113.02450	1.3
119.03493	0.5
132.02168	13.6
134.03735	9.6
135.04074	0.5
147.04544	0.8
149.06062	1.7
160.01654	67.0
161.02025	3.4
175.03995	100.0
176.04349	5.7
178.02704	0.6
191.07101	1.6
192.00653	1.9
193.01398	6.1
193.05054	16.7
194.05379	1.2
202.02705	1.5
207.06601	0.6
211.07903	0.5
217.05042	5.0
218.05345	0.6
235.06091	3.0
265.07187	0.7
267.06421	0.5
295.08176	2.2
340.78979	0.4
355.06470	2.0
355.10287	5.9
356.11047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
51.92548	0.6
59.01379	11.4
61.00227	0.6
69.48435	0.6
70.29395	1.5
70.29741	0.8
71.01366	4.0
89.02439	3.7
101.02422	2.2
113.02441	1.9
119.03482	1.6
132.02164	14.1
134.03748	8.9
147.04565	0.9
149.06009	0.9
160.01653	67.1
161.02017	2.9
175.03995	100.0
176.04349	5.5
191.07126	2.9
193.05048	15.7
193.06731	1.2
194.05437	1.2
217.05013	4.8
235.06123	3.5
281.49286	0.7
295.08194	2.6
348.48724	0.6
355.10315	5.8
356.10880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63828	0.4
58.09893	0.4
59.01376	9.8
63.41014	0.4
69.16801	2.7
71.01381	4.0
85.51576	0.4
89.02447	3.4
101.02451	1.6
113.02428	1.8
119.03492	1.3
132.02171	11.5
134.03745	7.5
147.04533	0.7
149.06100	1.3
160.01656	62.6
161.02000	3.5
175.03999	100.0
176.04395	5.2
191.07098	2.0
193.05055	15.6
194.05319	0.6
202.02699	1.3
217.05051	5.6
219.79594	0.4
235.06078	2.7
283.21982	0.5
295.08197	1.4
336.94507	0.5
355.10263	6.2
356.10455	0.9
369.39594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
51.65628	1.0
52.88380	1.0
58.72626	0.8
59.01370	1.3
64.47388	1.0
70.27924	1.9
112.60577	1.0
114.05613	1.8
120.90744	1.0
134.03751	100.0
135.04094	4.1
137.02451	2.8
149.06091	30.4
149.38707	0.9
178.02722	18.1
180.53256	1.1
193.05057	93.0
194.05345	5.1
319.08124	1.3
356.18237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1185
Annotation	Naphthgeranin B
Peak:m/z	Relative Intensity
57.82933	11.1
61.98817	21.8
71.46524	14.5
90.21482	10.4
115.39511	11.3
123.67625	11.5
147.04515	10.8
175.03999	99.6
176.04799	69.3
189.05536	15.5
190.06364	26.5
204.04147	22.1
217.05026	14.0
219.06659	31.0
222.05310	33.1
266.41397	13.4
279.06625	21.8
295.06137	21.9
307.06146	15.4
322.08334	18.0
325.11139	16.6
337.10727	22.3
355.11966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	Dshamirone
Peak:m/z	Relative Intensity
62.34221	2.3
63.00242	1.9
69.25013	2.8
69.25426	9.5
70.48787	2.3
74.82677	2.0
77.82868	2.4
98.22604	4.5
126.64764	2.0
163.11285	89.7
164.11565	5.4
179.10776	83.4
180.11092	4.9
200.00862	2.3
207.61348	2.3
294.43262	2.1
311.25916	42.3
312.26340	3.0
313.78128	2.1
337.21741	5.7
355.22781	100.0
356.23135	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	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01368	0.9
61.98813	0.8
70.89469	1.2
107.05029	0.9
122.03731	8.7
135.04514	22.6
147.08133	3.3
149.06061	1.1
149.09705	6.5
150.10078	0.7
151.07706	0.9
161.09714	11.3
163.07680	3.8
163.11279	49.4
164.08417	15.3
164.11572	3.2
165.09116	2.4
177.09200	70.2
178.09972	19.9
179.10759	100.0
180.11104	7.1
187.11270	2.5
191.10768	12.1
192.11031	0.7
193.08688	1.8
196.15981	0.7
253.41937	0.6
265.12311	1.1
279.13879	1.5
280.14670	4.0
298.15717	50.7
299.15991	5.5
307.17108	1.6
309.22198	1.6
313.21512	0.7
321.18500	1.0
322.19547	1.5
337.21710	51.2
338.22086	6.8
340.20398	84.4
341.20694	11.7
355.22766	99.9
356.23099	12.2
360.00543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.16758	0.6
61.98825	0.9
63.33664	0.5
65.27824	0.5
74.36527	0.7
92.92864	0.7
115.14258	0.6
116.92857	0.8
139.95303	0.7
147.08134	1.4
161.09715	0.8
163.11272	3.0
189.21182	0.6
265.12320	1.6
280.14725	4.3
307.17084	1.8
309.22067	0.7
321.18503	1.3
322.19376	1.9
337.21722	100.0
338.18088	0.8
338.22098	11.7
355.22800	3.1
355.32190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70375	12.9
52.31241	15.3
55.10847	14.2
61.98852	15.5
69.62310	43.0
113.22305	15.8
115.66483	14.8
165.38098	14.6
181.63441	15.9
233.99963	16.1
262.43768	16.1
316.36273	18.2
317.81021	16.7
337.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
53.83897	0.3
59.01372	2.5
65.25587	0.4
69.28983	0.8
69.29382	1.4
71.01381	1.1
71.05009	0.4
71.72363	0.3
81.03450	0.8
83.05021	4.1
85.02945	1.0
92.87036	0.4
101.02470	0.4
101.06068	0.5
104.05071	0.7
106.06620	100.0
107.06947	3.5
109.02889	0.4
113.02445	2.1
118.06609	3.0
120.08202	1.0
129.10329	1.6
130.08733	18.4
131.03690	0.5
131.07132	0.5
139.07677	0.9
142.08705	0.4
145.05078	1.0
146.06129	0.9
147.04477	0.6
150.05598	86.0
151.05962	3.2
157.08699	1.4
164.07150	13.8
165.07489	1.1
174.11346	0.5
177.90317	0.4
185.11826	0.5
192.06648	9.9
193.07059	0.4
194.04570	13.3
195.15053	0.9
197.16556	0.8
199.09789	0.7
199.18120	3.0
225.16060	2.1
236.05608	1.6
242.13849	0.6
243.17181	0.5
252.14323	0.4
296.07715	1.9
308.41605	0.4
312.26529	2.3
313.10522	0.5
356.09869	8.4
356.20862	2.2
356.25443	15.8
357.09943	1.1
357.25702	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	356.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55930	1.5
52.40604	1.3
59.01378	13.4
69.83193	4.6
77.33038	1.3
88.04051	1.5
107.03651	1.8
130.44673	1.4
134.04735	100.0
206.09251	1.5
220.84225	1.5
227.87369	1.3
267.67520	1.4
296.08292	2.9
343.97354	1.6
356.18417	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	356.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.6
65.64574	2.2
71.01382	30.0
79.66627	1.8
82.02979	6.5
82.06644	2.3
88.04039	31.7
109.04113	3.2
112.04053	2.3
115.00369	45.6
127.05161	11.4
129.10368	3.3
132.03018	30.7
147.13306	1.6
155.08266	1.9
165.05418	6.6
166.08673	3.5
179.11928	5.9
180.10260	8.0
195.11429	5.0
197.12947	10.9
222.12465	100.0
223.10831	11.9
223.12885	5.0
240.13531	68.7
241.11903	62.5
242.12282	4.2
287.43967	1.6
297.42542	1.9
312.15494	9.3
315.22733	2.0
351.34137	2.0
356.08078	3.7
356.14609	87.0
357.15073	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	356.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74192	19.1
61.98817	27.4
66.20033	21.0
69.30606	100.0
70.09411	18.2
81.67185	21.0
98.21927	33.0
138.69189	20.4
145.37000	17.4
192.95821	25.8
251.00024	21.1
269.43210	19.9
288.15964	36.3
318.16614	28.4
335.76880	19.0
336.85019	25.2
352.27982	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98828	100.0
65.06525	0.6
65.70603	0.8
67.67148	0.8
69.34995	3.5
85.01640	0.7
102.95319	0.7
129.07881	1.0
130.40997	0.9
138.59737	1.0
192.95895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65574	2.4
59.79336	2.2
61.38300	2.3
61.98830	100.0
90.94546	2.3
94.86875	2.5
95.59904	2.8
98.22688	7.0
172.98520	2.8
199.91290	2.9
229.31502	2.8
360.07928	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	356.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28746	1.0
59.01376	2.7
69.43842	3.8
71.01413	1.2
81.03493	1.4
82.06621	5.6
83.05012	3.9
91.49162	1.1
112.07707	3.2
129.10347	13.7
130.08739	91.7
131.07193	1.1
131.09114	2.7
139.08775	3.1
144.86871	1.2
150.05566	1.3
151.07594	2.1
157.08701	3.0
182.15488	3.0
195.06596	4.6
195.15031	3.7
197.16563	5.6
199.09773	2.4
199.18144	21.8
199.84502	1.1
200.18423	2.2
225.16048	16.9
225.18050	1.9
242.18739	1.6
243.17247	2.6
312.26648	11.7
313.11227	1.2
313.27170	1.6
318.16360	1.3
356.21594	4.1
356.25513	100.0
357.25931	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	356.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13355	0.5
59.01390	2.9
69.18561	3.4
71.05015	0.6
80.05064	1.6
81.03452	0.6
82.06621	4.9
83.05013	4.9
84.08184	1.1
97.06568	1.5
106.06610	0.7
109.02956	0.7
112.07669	1.3
114.09262	0.9
116.07197	0.9
129.10342	16.3
130.08739	100.0
131.09113	3.4
138.07994	0.6
139.07729	1.0
139.08768	3.6
141.10342	0.8
145.05072	1.0
150.05635	4.1
157.08745	1.2
182.15540	3.4
183.93625	0.5
194.04480	2.7
195.06694	0.7
195.15047	3.0
197.16586	6.2
199.18156	25.3
200.18431	1.2
225.16069	18.0
226.16446	1.2
242.18716	0.7
243.17154	1.8
255.13565	0.8
280.02194	0.5
312.26569	12.0
313.26697	1.2
356.25516	91.2
357.06155	1.6
357.10239	0.7
357.14975	1.4
357.25888	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	356.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98820	0.5
63.73003	0.4
69.30566	1.3
98.10415	0.4
100.07647	0.6
142.95177	0.4
145.08965	0.4
153.12810	0.5
155.14455	0.5
177.01964	0.6
199.13319	2.8
205.16626	0.5
237.18620	2.1
310.47171	0.4
318.05038	0.4
332.46536	0.5
354.26678	0.6
356.28046	100.0
357.28406	11.7
357.31818	0.3
359.82504	0.4
365.75351	0.4
365.84149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.5
64.96939	0.3
71.01385	3.4
77.03972	1.1
85.02960	0.9
89.02446	2.3
92.05098	0.5
93.03453	2.1
101.02428	0.9
104.51740	0.3
105.03461	2.0
109.02979	0.4
109.04057	0.6
113.02435	0.7
119.03448	0.7
121.02947	1.2
123.04534	0.7
127.05142	1.9
128.03535	0.5
129.10358	0.4
133.02936	1.1
136.04019	2.2
145.06178	1.4
149.02443	19.3
150.02754	0.8
151.04005	4.1
165.05673	0.4
177.01921	100.0
178.02264	4.6
191.03462	0.6
193.05022	0.5
195.02985	6.9
196.14603	0.7
211.14507	0.7
213.41660	0.4
219.02917	1.3
237.04001	0.7
239.95862	0.4
267.05188	0.8
269.08148	0.7
284.30963	0.3
295.21497	0.6
297.06107	1.3
298.26697	0.4
304.06772	0.3
357.08243	21.8
357.21344	3.5
358.08667	2.3
360.96857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0979
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01363	1.6
65.00323	0.7
69.46329	2.4
73.04086	0.7
74.21850	0.6
82.06645	0.8
91.01890	5.0
93.03451	6.6
93.59011	0.5
96.00923	1.2
96.99298	6.0
98.02460	2.8
106.04263	0.7
106.06633	1.2
107.06960	1.0
108.02187	3.4
109.02940	1.4
113.03590	1.2
114.05649	0.7
117.03473	2.3
118.37133	0.6
119.05026	12.5
121.02991	1.3
123.04527	9.3
129.01617	0.6
129.30522	0.6
130.04283	0.9
130.06218	2.6
130.08736	6.8
131.05028	3.3
133.02957	3.7
134.03737	15.7
134.04709	1.2
135.04489	0.9
138.09219	2.8
139.08771	0.8
140.07166	1.1
143.05037	11.4
145.02916	3.2
146.03729	5.9
147.04507	2.6
148.01633	0.8
148.05301	0.8
149.06096	1.6
150.05589	1.0
151.05966	1.2
158.03712	4.4
159.04495	8.7
160.01637	1.2
161.06032	2.9
163.04024	8.8
166.08728	1.9
171.04471	0.7
173.06068	2.5
174.03221	1.0
175.04002	1.2
178.02771	0.9
187.03905	1.1
188.22401	0.6
193.05038	5.0
210.08972	0.7
210.93617	0.6
211.14525	1.0
225.16127	0.9
226.06404	3.2
226.08284	0.7
227.07210	0.8
235.07669	0.9
235.17976	1.1
241.08733	2.8
243.17087	0.8
250.06406	1.1
251.07126	19.7
252.07858	8.8
253.08662	6.9
254.09442	2.9
261.16196	1.1
261.27164	0.5
263.07230	1.1
267.10150	0.9
279.06595	5.8
280.07367	14.8
281.07834	1.1
281.19958	0.6
295.09732	11.4
296.10004	1.3
297.03937	0.9
313.10861	2.6
323.16132	8.7
324.06387	2.1
339.08691	4.9
340.08939	0.8
340.18701	4.4
357.09787	100.0
358.10123	13.0
358.19705	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.41415	0.7
59.01379	19.8
66.15264	0.6
70.82701	1.0
71.01376	2.6
78.20672	0.7
89.02462	2.5
101.02416	1.5
108.02175	1.7
119.03557	1.0
119.05015	1.8
121.02972	1.6
123.04517	2.7
124.01645	0.8
130.08749	1.0
135.04515	6.4
136.05293	12.2
150.03203	0.8
151.03975	1.0
151.07660	3.4
179.05486	1.3
195.06616	100.0
196.06953	5.7
223.36893	0.8
352.44348	0.8
357.11731	1.6
357.21271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
51.21922	6.0
53.82177	5.4
70.96507	11.0
76.85262	6.0
79.01398	5.1
81.84983	7.9
88.45943	4.8
108.02152	16.4
123.04498	32.5
143.29544	6.2
147.33926	5.8
148.05315	10.7
156.98167	6.4
159.04491	13.4
160.05327	29.2
175.07593	8.4
176.04712	6.8
177.05562	84.1
178.06261	25.3
188.04747	13.3
191.07095	28.2
192.07822	14.6
192.95847	16.7
203.07127	100.0
206.05884	10.1
207.75018	6.4
212.51898	6.6
221.06255	8.4
221.08209	85.6
224.06953	12.9
309.07605	18.6
313.10812	9.1
316.71802	6.5
324.10010	8.6
327.12265	30.1
339.12372	61.9
353.43988	6.8
357.09482	8.7
357.13351	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2145
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
51.58298	0.5
58.02969	2.4
59.01373	2.3
61.98845	0.6
63.89616	0.5
65.00342	0.6
66.03484	1.5
69.27129	1.8
70.02981	1.0
71.01387	0.8
71.02509	2.0
73.04079	5.0
74.02474	3.1
81.02200	1.3
81.81588	0.5
82.02972	1.9
82.06623	5.5
84.08192	1.4
89.02490	0.7
91.01891	0.8
95.02512	1.1
96.00906	5.4
98.02482	7.8
98.21890	1.0
108.08230	0.5
108.80669	0.5
109.01698	5.4
109.02903	2.3
111.02009	1.2
112.07661	1.2
113.03578	8.5
114.01967	0.7
114.05595	0.5
114.09235	0.8
118.98048	1.2
119.05034	2.1
121.02977	0.6
123.04556	0.6
123.09292	0.6
129.10355	6.4
130.06186	1.8
130.08739	93.8
131.09094	2.4
133.02939	2.3
134.03755	2.3
138.09238	3.5
139.08789	2.9
139.09659	0.5
140.07175	9.6
140.11987	0.5
141.07547	0.6
141.10388	1.7
143.04980	0.6
143.11893	5.5
144.33675	0.5
147.04507	1.8
151.07607	0.7
152.21803	0.5
155.08279	0.6
156.06621	0.5
159.04527	1.8
163.00385	0.6
163.04024	2.2
165.10301	3.3
166.08731	8.0
167.08250	9.3
168.08955	1.0
168.10306	0.6
169.09843	1.8
177.01947	0.8
181.09834	1.2
182.13028	2.4
182.15468	2.0
183.11368	0.6
187.10890	0.8
191.06131	0.5
193.05029	1.2
195.06647	1.2
197.16583	2.7
199.18156	19.6
200.18556	1.0
208.13412	0.7
209.09351	7.8
209.16701	0.6
210.07794	3.5
210.09662	0.8
225.16106	3.4
226.11981	8.3
227.17625	0.9
235.18263	2.8
236.17802	1.1
243.17131	9.9
251.06998	1.0
254.18762	2.6
256.20349	4.2
261.16092	1.9
269.08182	1.0
278.18741	0.9
279.16962	2.4
285.04114	1.0
286.04251	0.7
296.20001	0.8
297.04053	4.2
298.04758	2.7
299.05573	1.2
311.05746	0.6
313.10892	1.2
313.22577	1.1
321.15472	1.2
323.16113	21.9
324.16354	1.5
327.05304	0.7
339.05124	1.7
340.18784	24.3
341.19116	2.2
357.06131	11.9
357.09857	4.8
357.21426	100.0
358.06390	1.6
358.10263	1.1
358.21927	9.5
382.85733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.3
58.47962	0.7
59.01377	1.8
60.88446	0.8
64.38955	0.8
70.02968	1.0
70.61151	1.3
71.01385	1.7
71.02504	2.0
73.04051	1.4
74.02474	1.6
77.03982	1.1
82.02977	1.9
82.06605	1.1
95.02468	1.3
96.00904	4.4
98.02491	6.1
98.66119	0.8
101.02402	1.2
108.02200	0.9
109.01711	1.7
109.02934	3.0
113.03584	9.4
114.09188	1.3
115.88651	0.8
116.07178	1.1
128.03522	1.1
129.10353	4.4
130.08737	100.0
130.45340	0.7
131.09052	3.0
133.02953	10.5
134.03757	1.9
135.04483	0.9
136.48480	0.8
138.09279	1.9
139.08775	2.3
140.07175	9.1
141.10367	1.5
143.04967	0.8
143.11954	0.8
147.04523	1.2
151.00322	0.9
159.04498	1.9
161.02448	1.2
161.06085	1.0
163.00348	3.0
163.03975	1.4
165.10339	3.6
166.08736	4.8
167.08235	9.7
168.09019	3.4
175.03970	1.9
177.01990	0.9
179.03465	1.5
180.04279	1.1
182.12952	3.2
185.16580	1.0
193.04945	1.0
195.06558	1.1
197.16594	2.4
199.18143	22.6
200.18517	0.9
209.09265	8.4
210.07668	2.3
221.04341	0.8
225.05643	1.1
225.16080	2.7
226.11958	11.6
235.18178	2.5
236.17609	1.5
242.18967	0.9
243.17101	11.0
251.07043	1.8
252.08047	1.0
254.18719	3.4
261.15994	1.2
269.04739	1.8
279.17139	1.4
283.06357	0.9
284.03317	2.1
285.04095	6.6
287.15234	0.9
295.09637	1.1
295.21323	0.9
297.04062	14.2
298.04797	11.4
299.05545	8.1
311.05612	5.2
312.05911	0.9
314.17184	1.9
323.16119	14.4
324.16589	1.4
327.05060	1.3
339.05075	8.0
339.08859	1.2
340.18787	21.5
341.19052	1.6
357.06116	58.0
357.09708	5.2
357.21423	97.2
358.06497	7.5
358.21814	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	357.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59832	0.8
58.02971	2.5
58.93579	0.9
59.01372	2.6
60.93102	0.9
69.17332	5.6
71.01391	1.4
71.02512	1.5
73.04060	1.8
74.02474	2.2
81.82639	0.8
82.03006	1.4
82.06629	1.5
87.05639	0.8
89.02374	0.8
92.79569	0.8
96.00900	5.4
98.02489	5.8
101.02438	0.8
108.02177	0.9
109.01704	3.1
109.02971	1.8
112.07636	1.1
113.03568	8.3
114.05660	0.9
114.09220	1.3
115.00330	1.0
119.05017	2.5
121.02926	1.1
129.10332	3.9
130.08743	100.0
131.09084	1.6
133.02975	10.1
134.03741	2.4
135.04536	1.0
137.02435	1.0
138.09267	3.1
139.08757	1.6
140.07179	7.9
141.10345	1.7
143.05087	1.1
145.02948	1.0
147.04480	0.8
151.59573	0.9
159.04506	1.4
161.02461	1.8
163.00359	2.8
163.04070	1.3
165.01894	1.2
165.10338	3.0
166.08719	4.2
167.08307	7.8
168.09009	2.2
168.44461	1.0
173.76845	0.9
175.03998	2.0
177.01880	2.0
180.04239	1.5
182.12958	1.8
183.64285	0.8
183.66277	0.8
185.16600	1.6
195.06679	2.0
197.16614	2.8
199.18167	24.0
200.18498	2.2
201.01900	1.4
209.09306	7.9
210.07744	2.2
211.07800	0.9
225.05704	1.1
225.16098	3.9
226.11929	11.6
227.03539	1.1
231.78764	1.0
235.18185	1.7
236.17610	1.0
241.05011	1.5
243.17162	8.1
253.05156	1.0
254.18759	2.3
255.02971	1.2
261.16147	1.4
264.17615	1.0
269.04538	1.7
269.08060	1.1
279.17068	1.6
280.07336	1.5
280.17307	0.9
284.03268	2.5
285.04071	7.2
286.17703	0.9
294.80505	0.9
297.04004	16.9
298.04770	11.2
299.05521	8.0
311.05673	6.2
314.17203	2.7
321.06335	1.1
323.16104	15.2
324.02576	1.2
324.16223	1.8
327.05090	1.1
339.05038	7.1
340.05515	1.4
340.18784	22.0
341.19165	1.4
357.06152	60.8
357.09842	5.1
357.21432	98.3
358.06555	8.5
358.10327	1.4
358.21939	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	358.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64174	0.4
59.01375	3.9
70.04241	1.0
71.01376	1.7
72.99339	0.4
79.85588	0.4
83.04987	0.4
85.02953	1.2
89.02459	0.8
95.01405	0.5
98.22633	0.4
101.02460	0.8
108.02183	0.4
108.08193	100.0
109.08520	3.9
113.02436	2.2
117.05866	0.6
118.55325	0.5
120.08196	3.3
122.09773	0.5
130.08760	2.4
132.08205	1.7
133.02896	0.4
135.04562	0.6
143.11865	0.6
148.07668	1.5
152.07170	80.2
153.07512	3.9
161.02448	1.1
164.07144	0.9
166.08740	16.9
167.09081	0.7
176.07149	0.7
194.08221	8.9
195.08540	0.7
196.06145	65.1
197.04768	0.6
197.06476	4.1
211.13470	2.2
213.14978	0.9
217.00249	0.5
238.07184	10.5
239.07570	0.6
241.14407	2.6
242.18735	1.3
243.07756	0.5
251.12889	1.2
277.14575	0.4
280.08365	0.6
298.09366	6.7
328.18942	1.9
358.11362	12.3
358.19327	0.8
358.26181	0.8
359.11966	1.1
359.20746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1981
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
51.36450	1.6
59.01379	13.3
61.71778	1.6
61.98820	4.7
62.49792	1.7
71.01372	3.4
73.04055	5.2
74.02458	8.0
75.31345	1.6
77.45686	1.6
79.34865	1.7
79.97461	1.7
80.06881	1.5
82.06606	3.4
84.04544	14.0
87.05624	5.6
88.04022	12.0
96.00925	2.9
101.02393	2.4
102.05608	51.5
108.02163	8.7
109.02947	20.2
109.71955	1.9
115.00356	3.2
115.08780	10.4
115.09457	1.5
116.07171	9.2
121.02937	1.8
123.00870	8.0
125.07200	4.8
127.05157	3.2
128.03542	90.9
129.10310	4.1
130.08739	23.4
133.02965	2.6
135.04533	15.1
136.05321	2.0
138.03236	9.8
143.11884	5.6
146.03583	2.5
146.04602	23.0
148.05322	2.1
149.06100	4.5
153.05447	2.6
154.12396	3.6
157.13419	3.7
161.04619	1.9
161.05984	8.9
171.15024	10.0
179.03450	4.8
181.13422	4.9
181.80902	2.0
182.02193	7.9
183.15056	6.0
184.07253	2.5
185.16544	10.0
186.16948	1.8
186.66075	1.6
197.04550	18.8
200.14079	3.4
211.14511	23.7
215.13896	2.3
217.00287	6.7
223.10889	10.9
228.17151	8.7
229.15549	45.1
230.15871	2.5
239.30157	1.7
242.05844	21.6
243.06575	5.4
247.96906	1.8
253.08554	2.1
270.21768	4.9
271.09735	37.8
314.20935	11.9
314.26315	2.0
315.16843	12.0
329.18234	6.6
358.19763	100.0
358.25134	8.3
359.09021	2.4
359.19464	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	358.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15835	6.4
54.28723	4.6
58.64067	5.6
59.01383	38.9
61.98810	5.2
67.85370	5.3
69.09993	36.4
69.30659	5.2
72.52270	4.7
74.02443	5.5
80.77650	5.4
96.00923	10.2
98.02461	12.0
98.22637	11.5
102.47244	5.6
113.03554	7.6
130.08737	85.1
138.09254	16.4
140.07169	10.6
158.08856	5.7
166.08723	36.1
174.99261	8.7
189.30582	5.6
191.62054	5.5
201.02512	8.9
217.00313	43.9
225.16167	8.3
235.18216	9.0
243.17113	15.6
261.15970	9.2
279.17120	7.2
300.04520	6.1
323.12622	8.9
323.16086	100.0
324.16537	10.8
340.18716	46.0
340.77640	5.9
358.20004	24.2
358.25812	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	358.1983
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
52.63976	0.6
58.10009	0.5
59.01370	2.7
62.97874	0.5
69.88435	0.8
69.88764	1.3
70.02979	2.0
71.01381	0.7
81.02186	3.1
82.02963	1.5
82.06619	4.1
84.08197	1.4
84.92553	0.6
87.05632	2.3
88.49435	0.6
96.00908	10.0
97.04079	1.2
97.06590	1.1
98.02477	28.0
101.02452	0.6
108.08186	7.6
109.01679	2.9
109.08460	0.6
113.03564	8.2
114.01973	2.1
115.05126	1.4
119.05042	0.7
120.05377	0.6
121.04092	0.7
122.09776	1.6
123.03233	0.7
123.09281	1.0
130.08737	66.1
131.04581	0.9
131.09090	2.1
134.03679	0.6
138.09248	23.4
139.08713	5.3
139.09631	0.8
140.07182	6.7
140.10832	0.7
150.09306	0.6
152.07185	6.6
153.09192	1.2
153.10307	0.7
155.11914	0.6
156.06645	1.8
161.03577	1.2
163.08746	1.1
164.09535	1.9
165.10321	1.9
166.07324	1.3
166.08730	28.3
168.09032	0.7
168.10315	2.2
178.11012	1.2
182.15497	1.1
183.11362	1.6
185.16614	1.3
188.72600	0.6
190.11163	0.9
192.06619	0.9
194.08173	1.0
196.06155	4.7
197.08226	1.0
199.18158	5.3
200.18376	0.7
204.09061	2.1
209.09285	2.4
218.06616	0.6
225.16092	8.3
227.10353	1.5
229.15511	1.3
233.16576	4.6
235.18184	8.3
236.11682	2.2
236.16615	1.7
238.07295	0.8
242.18665	1.0
243.17175	6.7
252.07486	1.1
261.16086	8.7
262.16248	1.3
279.17154	7.7
281.07700	0.7
298.04169	1.1
323.16107	100.0
324.16452	10.9
328.18808	1.9
340.18759	50.7
341.19409	4.2
358.06387	1.2
358.10242	5.6
358.19748	16.8
359.20221	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	358.1983
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
53.18853	0.9
53.91820	0.9
58.02945	1.0
59.01377	19.1
61.15474	0.9
63.35510	0.9
66.03458	1.0
69.34120	2.1
69.34531	2.8
71.01028	1.6
71.01379	23.3
74.02462	2.3
75.80137	0.9
82.06601	3.0
85.02926	1.4
87.00874	1.0
87.05604	1.0
88.03538	1.6
88.04039	28.9
89.02431	6.2
99.50275	1.2
100.04015	1.6
101.02401	3.8
101.07181	2.6
107.05073	1.0
109.01674	1.3
109.02951	2.4
112.07664	1.6
112.13115	0.9
113.02418	3.2
113.93443	1.1
114.05553	2.1
115.00362	26.9
116.07178	24.5
119.03461	4.2
119.04975	2.9
122.09641	0.9
125.28459	1.2
127.05070	2.9
128.03511	1.5
129.10344	15.6
130.08740	18.2
131.09000	3.2
132.03021	9.8
133.02916	2.7
134.03218	1.5
134.06044	1.2
135.04533	17.5
136.04774	3.0
137.06067	5.6
139.08701	2.1
140.07095	2.7
145.06145	3.4
149.06046	1.8
155.08221	1.3
157.13416	2.9
161.05997	1.6
166.08720	6.1
169.09822	1.8
171.97990	0.9
177.01826	1.1
178.02205	1.3
179.02083	0.9
179.03494	13.7
179.04988	1.6
179.05652	1.0
180.03778	3.1
180.08810	1.2
180.10298	10.2
183.11292	1.6
185.16585	9.5
186.16826	4.1
195.14989	2.2
197.12845	2.6
197.16461	2.9
199.18030	3.2
201.12329	1.0
209.09196	1.5
217.00246	1.3
223.10797	2.5
224.09238	1.5
224.17508	1.8
225.09248	1.2
225.16054	6.6
229.15442	3.7
242.18732	55.3
243.16975	22.1
243.19107	3.6
270.21722	2.1
271.09601	2.4
285.90750	1.0
286.10681	2.1
296.19507	2.0
299.11154	4.3
314.20813	8.9
340.18625	9.6
341.18964	1.8
358.19641	100.0
359.20114	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	358.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28440	1.7
60.43653	1.7
61.46245	1.8
69.80788	6.9
95.05022	49.5
178.03596	4.2
184.26620	2.2
189.05305	1.9
232.04672	3.9
246.06421	2.0
246.12354	60.9
247.12694	3.4
278.11359	100.0
279.11667	7.2
315.19400	37.8
316.19690	2.6
321.10583	10.6
322.10846	3.0
331.32129	2.1
335.61996	2.1
358.19974	10.3
378.84171	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	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61393	56.5
64.40849	63.2
66.39478	54.2
70.52244	100.0
96.14294	51.9
96.18488	53.2
98.51115	58.4
116.68468	62.8
287.54956	66.1
335.92523	63.8
372.30182	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21498	1.6
59.01379	98.6
69.76869	1.9
69.77203	5.4
78.95908	2.4
87.98402	1.6
90.42040	1.7
102.95541	1.5
107.92276	1.7
141.25816	1.6
143.71043	1.8
153.01930	3.3
157.03606	1.9
174.99255	26.2
197.04564	2.0
200.35834	1.8
201.00778	2.9
201.02528	26.6
202.02614	2.3
203.88997	2.1
217.00299	100.0
218.00583	3.9
316.90085	2.2
341.14532	1.9
359.01648	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	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33548	0.4
51.68586	0.4
58.87085	0.6
59.01377	90.5
60.01719	0.9
60.15019	0.4
65.15908	0.5
71.12482	0.5
72.99300	0.4
73.02950	1.1
80.18304	0.5
81.02312	0.5
83.12458	0.5
114.98876	1.4
117.00421	0.6
129.44505	0.5
132.98248	1.5
156.90846	1.5
156.98616	0.4
156.99911	2.3
157.03592	2.1
159.01518	2.2
164.36345	0.5
174.99251	23.3
175.99529	1.0
198.91920	1.4
198.99515	1.4
201.02553	24.5
202.02739	2.4
204.73036	0.5
215.04103	0.6
216.92525	1.6
217.00302	100.0
218.00652	3.7
231.00551	0.7
232.98390	1.2
259.01428	0.6
273.01727	0.6
274.99603	8.2
275.99649	1.9
299.00815	0.9
315.02551	0.7
317.00607	12.9
318.00671	2.8
340.92871	0.6
350.35153	0.7
359.01620	24.6
360.01758	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69427	0.6
55.85825	0.7
59.01363	2.4
59.92651	0.7
67.75053	0.7
71.01387	6.9
73.59815	0.7
74.02494	1.0
81.03469	0.7
81.59487	0.9
83.24764	0.7
83.45926	0.8
88.04039	1.1
93.03430	1.2
97.69035	0.8
100.57900	0.7
105.07124	0.9
108.02174	23.2
109.02958	51.2
110.03314	1.1
115.00372	8.2
121.02968	5.9
121.06550	0.8
122.03782	3.6
123.04535	6.0
129.10286	0.9
129.40208	0.9
133.02943	4.9
133.84929	0.8
134.03651	1.1
135.04514	9.1
146.03760	1.3
147.04514	3.0
148.05287	4.8
149.06071	9.1
161.06082	19.6
162.06863	6.4
163.07639	4.4
172.05295	1.4
175.39377	0.7
176.04813	0.8
177.05553	1.3
179.03468	2.0
185.06015	1.8
185.26291	0.8
194.50819	0.8
197.06145	0.9
201.09248	0.9
213.05640	5.0
224.04767	1.0
225.05528	0.8
226.06421	1.8
241.05090	8.1
242.05840	60.5
242.18726	1.5
243.06517	19.8
253.08574	1.2
255.06593	1.1
269.08200	2.2
271.09753	100.0
272.10068	8.8
359.07700	11.9
359.20587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	0.9
56.90891	0.9
59.01366	3.4
71.01379	4.0
76.32705	0.9
93.03445	1.3
96.67622	0.9
103.66007	1.0
108.02168	14.4
109.02952	36.1
110.03270	1.1
115.00375	5.5
121.02956	3.6
122.03754	2.2
123.04512	3.5
129.10326	1.1
133.02957	3.8
133.11043	1.0
134.03734	1.4
135.04520	7.8
147.04524	2.3
148.05287	4.0
149.06105	6.6
161.06084	12.9
162.06880	5.5
163.07614	2.3
177.05634	1.3
179.03372	1.7
213.05545	3.7
241.04951	6.1
242.03253	1.5
242.05833	44.3
243.06464	12.1
271.09756	100.0
271.74469	1.0
272.10031	9.0
315.08765	1.3
359.07712	11.4
360.07639	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	359.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.7
70.59475	1.9
71.01373	5.5
71.20454	2.0
74.57410	1.6
82.02990	2.3
82.06600	2.0
83.32195	1.6
88.04063	4.8
89.02424	2.3
89.04394	1.6
100.04045	3.3
101.07191	5.5
101.83240	1.6
101.85176	1.8
109.02948	2.1
114.05574	3.0
116.07185	12.7
117.07488	2.1
121.02946	2.8
126.05585	2.8
127.05111	4.8
128.03522	3.2
130.07758	2.5
130.08728	38.8
131.09082	9.1
134.03725	4.7
135.04524	100.0
136.04851	5.1
138.01958	4.9
145.06136	3.4
147.04539	5.1
164.08495	1.9
166.08730	12.7
167.09058	3.8
179.03496	96.5
180.03801	6.0
180.10262	3.7
183.11377	3.1
185.16566	8.1
186.16890	4.0
189.71544	1.7
197.12924	2.8
209.09261	2.8
227.10356	3.0
229.15527	3.2
230.15688	2.0
241.11949	2.3
242.05762	2.4
253.08617	8.2
271.09790	4.1
296.00821	1.8
296.19693	3.1
340.18768	9.4
341.18997	9.5
358.19635	34.5
359.20056	36.1
360.10837	2.3
360.21091	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.43349	1.0
55.01866	1.3
57.03441	1.5
58.00595	1.3
59.01377	100.0
60.01710	1.7
60.24855	1.1
61.98829	2.8
69.06800	1.2
70.07013	2.7
71.01380	39.4
72.99325	1.6
73.02956	2.5
83.01418	2.8
85.02948	9.4
87.05638	1.0
88.04070	1.4
89.02440	23.7
93.03465	1.4
95.01378	3.4
99.00918	1.6
101.02435	19.8
108.02174	13.8
109.02952	28.4
110.03300	1.3
113.02460	13.0
115.00382	6.1
119.03506	9.9
119.04980	1.8
121.02949	11.0
122.03789	2.0
123.00895	3.2
123.04549	4.2
127.05182	2.1
127.22517	1.1
128.03618	1.1
130.08786	1.4
133.02972	1.5
135.04536	16.8
135.05501	1.6
137.02435	6.6
138.03271	3.9
139.00391	2.2
139.04013	1.5
147.04504	2.4
148.05342	2.8
149.06042	7.2
152.81303	1.2
153.05554	7.3
161.04637	4.9
161.06139	8.5
162.06912	3.1
163.07655	2.0
165.02029	2.5
166.99942	2.3
179.03496	5.9
180.04245	1.6
181.01494	4.0
182.02188	8.8
183.02956	1.3
195.06664	1.9
196.03755	5.2
197.04547	42.0
197.06297	2.3
198.04973	2.2
211.06088	8.1
213.05632	1.8
217.94533	1.1
224.03259	2.2
226.06421	2.1
239.05594	24.1
241.05127	3.9
242.05809	31.5
243.06558	17.7
243.18929	1.1
253.08731	1.3
269.06650	2.5
271.09738	57.5
272.10025	5.4
284.04999	1.2
299.07889	5.1
299.11487	3.5
300.11435	1.8
327.10800	1.6
344.07632	3.1
359.09973	70.6
360.10410	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
58.09014	0.4
59.01377	15.9
60.64470	0.4
70.50143	0.7
71.01373	1.9
73.04060	0.6
74.02464	1.6
78.95888	0.6
81.52590	0.5
84.08199	0.7
84.11217	0.5
87.05622	0.6
88.04032	0.6
89.02437	0.7
90.97121	1.1
98.02478	0.6
107.05038	0.5
108.02184	1.7
109.02953	4.0
113.02495	0.4
113.61835	0.4
115.00388	1.3
118.96655	0.5
121.02964	0.5
123.04521	0.7
126.37775	0.6
127.05157	0.5
128.03488	0.4
130.08736	100.0
131.08313	0.5
131.09114	3.6
132.98276	0.5
134.03712	0.5
134.04672	0.9
135.04518	15.1
136.04805	0.8
137.02446	1.6
143.11938	0.9
145.09814	3.3
148.05235	0.5
149.06087	1.3
152.07167	1.0
161.02452	1.0
161.06001	1.1
174.99245	3.4
178.96060	0.6
179.03514	1.1
180.06653	1.5
188.07813	0.6
189.07959	0.6
201.02553	4.2
203.03387	0.7
203.09630	0.6
204.05540	0.8
205.43639	0.4
213.05553	1.1
217.00284	15.5
218.00571	0.6
225.13579	0.6
227.97781	1.6
228.07327	0.7
230.03552	0.8
241.05037	1.0
241.07474	0.7
242.05858	4.5
243.06508	2.1
243.14517	0.6
244.05009	1.4
246.06573	0.7
258.18256	0.7
271.09763	7.4
272.10318	0.9
315.12488	1.5
315.16705	1.1
315.19949	2.2
324.15649	2.3
341.18399	0.9
359.15002	81.1
360.15216	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	359.15
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
52.81033	0.4
53.18343	0.4
59.01364	2.0
71.45912	0.6
72.99301	1.7
76.19988	0.5
84.66881	0.4
107.05033	0.6
108.02170	2.4
109.02950	32.3
110.03288	1.1
116.15502	0.5
116.67038	0.4
121.02949	0.8
123.04521	2.4
124.01675	0.7
133.02989	2.2
134.03743	1.3
135.04553	4.1
137.02408	1.1
147.04526	1.0
152.07181	0.6
157.85075	0.5
158.03735	1.3
159.04517	13.8
159.05754	1.0
161.02435	11.1
161.06075	1.8
162.03244	11.3
163.04008	25.0
164.04411	1.0
165.05582	0.8
171.04527	1.2
173.06068	8.5
179.03491	1.8
179.07130	0.9
185.06094	1.4
188.04855	0.9
189.05547	9.3
190.06226	1.8
191.07092	4.7
194.02280	0.6
195.02930	0.5
195.04541	0.6
197.04520	2.5
197.06004	0.9
199.03984	0.6
201.05544	0.9
203.07146	4.2
205.08682	0.9
212.04808	1.7
213.05524	3.1
217.00316	2.2
217.05083	0.8
219.06612	0.7
224.04778	1.9
225.05579	1.8
225.65648	0.5
237.05521	0.9
239.07039	0.5
240.04269	7.1
241.05034	22.8
242.05443	1.9
250.06290	0.6
251.07092	1.3
255.06602	15.6
256.07245	1.8
265.08728	1.4
267.06635	4.2
268.07260	1.4
269.08163	4.8
279.06805	0.7
280.07550	0.5
281.08279	3.2
283.09772	1.3
295.09766	1.9
297.11264	0.6
298.08463	1.8
299.09238	14.3
300.09683	2.5
311.09222	1.2
312.09525	0.5
313.10803	19.5
314.11221	2.0
320.88589	0.5
323.09244	0.9
327.12253	1.9
328.09653	0.5
329.10330	9.3
329.14029	0.4
330.10605	0.7
343.11777	4.6
344.12619	43.3
345.12979	5.3
359.14978	100.0
359.50131	0.5
360.15338	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	359.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
69.50903	2.0
76.81906	0.5
77.27429	0.5
77.34122	0.5
80.58067	0.5
86.84781	0.6
92.15240	0.5
108.02193	0.8
109.02977	1.0
121.02951	8.9
122.03793	3.3
123.00883	1.2
123.04514	0.6
124.01591	0.7
136.01608	0.7
136.05295	2.7
137.02437	1.8
143.04976	1.3
145.02957	1.3
145.06598	0.6
147.04541	5.7
149.02446	2.0
150.03227	3.7
151.04048	0.9
153.05658	0.7
158.03722	6.7
159.04515	16.4
160.05296	52.3
161.06079	16.9
162.06406	1.1
163.04013	5.2
164.04799	5.2
173.06085	6.4
174.06815	2.3
175.04178	1.1
175.07637	36.4
176.04849	1.0
176.07941	2.8
177.05579	7.3
178.06357	19.4
179.03456	1.0
179.06776	1.6
191.07152	0.9
192.07924	8.8
193.08656	3.7
217.00285	1.5
261.67587	0.5
271.64240	0.5
273.44302	0.5
283.42056	0.5
314.11630	1.0
327.08911	0.8
329.13913	100.0
330.10556	1.0
330.14273	12.0
337.56699	0.5
359.14923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45475	1.2
59.01378	24.2
61.98827	1.3
69.79569	2.6
74.96085	1.0
116.92853	2.3
123.44413	1.0
153.94856	1.2
171.23190	1.2
268.43674	1.1
277.21707	100.0
278.22006	9.2
287.74622	1.1
315.68683	1.1
324.48996	1.1
359.21985	24.0
359.26099	2.2
360.22433	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	360.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.8
60.01722	0.7
61.98824	0.7
71.01385	1.5
72.99314	0.6
73.02943	1.3
73.04071	0.4
74.02467	1.3
78.95902	8.3
82.57679	0.2
84.04514	0.4
85.02927	0.4
87.00848	0.3
87.05655	0.3
88.04032	0.8
89.02407	0.2
92.02541	0.7
92.97478	0.3
93.03419	0.4
96.96960	0.8
98.21908	0.7
101.02422	0.5
102.05613	1.5
105.01974	0.4
107.03631	4.0
108.02184	1.0
109.03004	1.7
110.03291	0.7
110.98534	5.9
113.02472	0.6
115.00399	0.6
118.05105	0.5
122.06103	0.4
123.00898	2.5
124.01675	0.4
124.04857	0.3
128.03531	3.5
129.10312	0.6
130.08780	1.2
131.03503	0.6
132.98125	0.3
134.04730	100.0
135.04422	1.5
135.05118	1.7
136.04892	1.4
137.02443	0.7
138.03249	2.4
139.04015	0.9
141.06696	0.3
143.11880	0.4
145.09833	0.3
146.04585	1.2
149.06071	0.3
152.07146	0.4
161.04559	1.0
161.05936	0.5
162.05467	1.2
165.10350	0.3
166.08742	0.3
169.09863	0.5
171.15027	0.8
174.99205	3.0
175.99617	0.3
179.03540	0.4
179.93837	0.3
180.03932	0.5
180.06711	1.0
187.10881	0.8
192.99068	1.5
197.04605	0.6
198.04883	0.4
200.13971	0.3
201.02588	0.6
202.02690	1.6
202.98782	1.4
203.02364	0.6
214.05884	0.3
217.00293	9.2
218.00633	2.0
219.00789	0.4
225.01686	5.6
226.11995	0.4
227.10260	0.3
231.13515	0.7
242.05725	0.8
243.06194	2.2
244.06963	0.7
270.10217	0.4
271.09674	0.7
272.10095	3.4
272.16055	0.3
290.97113	0.3
298.10428	0.3
298.14066	0.4
301.09076	1.3
315.16858	0.5
316.14832	0.4
316.41907	0.3
342.12082	1.0
359.19189	0.5
360.07166	11.0
360.13959	0.4
360.17468	3.6
361.07523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95901	2.2
52.98213	1.9
56.28038	1.9
59.55386	1.9
61.98819	3.5
63.12079	2.0
69.39308	9.3
95.05042	8.8
98.21883	3.8
130.33369	1.9
174.99190	2.1
196.21428	2.0
217.12074	4.0
237.14886	2.3
246.12312	3.1
249.22272	2.7
278.11377	10.2
284.33554	2.2
291.35574	1.9
315.87259	2.0
317.20950	100.0
318.21381	10.0
321.10403	2.4
360.21326	18.8
361.20145	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	361.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27113	1.4
57.46159	1.3
59.01373	9.3
61.98569	1.1
61.98828	10.6
69.98525	3.7
71.01382	3.3
72.00906	1.9
74.02470	4.1
75.00877	1.5
77.02180	1.1
78.95888	1.4
113.02472	1.4
116.05069	10.6
116.92885	1.5
119.04981	1.6
124.01631	2.5
124.04076	1.3
127.05177	1.7
128.03519	1.8
128.94212	1.4
130.05650	2.6
130.06627	50.6
130.08745	2.0
131.06952	2.9
139.04030	9.0
141.98241	7.3
142.06602	2.9
158.39066	1.2
161.04576	1.3
163.03900	1.4
174.99164	1.7
187.98766	4.6
203.08189	8.7
213.03477	4.1
217.00314	2.2
246.04440	3.8
255.04472	3.8
259.04001	3.6
272.10168	1.3
273.05872	1.8
298.14020	2.1
301.05051	100.0
302.05338	7.4
317.15466	1.4
361.15060	5.7
369.26389	1.4
371.55807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	80.2
61.98838	40.3
64.01781	5.1
71.01379	10.8
71.44532	7.4
77.36612	6.4
78.95914	7.5
81.86789	5.6
85.61000	6.0
88.98793	8.8
96.96029	10.2
101.02401	7.2
102.85138	5.5
103.92031	6.1
113.02435	11.6
123.00891	100.0
124.01644	10.0
131.08211	7.6
138.03233	73.8
139.03990	32.9
161.04588	26.0
163.03978	15.1
174.99237	18.8
181.05098	8.0
193.05211	6.4
202.98740	6.4
203.02249	9.7
212.03618	8.1
217.00276	42.7
218.00655	7.3
301.09338	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76371	3.0
55.15049	2.9
56.76217	2.9
59.01364	11.0
61.98803	8.7
68.59958	3.2
70.09606	3.8
70.09954	8.2
88.92612	3.0
93.64184	3.5
119.05006	10.8
129.03442	15.5
134.03723	18.9
145.02898	4.0
146.03769	22.6
147.04520	82.9
149.06082	33.9
150.03293	5.2
161.06058	13.8
163.04013	18.7
164.04791	38.1
165.05562	100.0
166.05846	5.7
174.99246	7.0
179.07120	62.2
180.07370	3.9
189.66354	3.9
189.82063	3.4
191.65871	3.1
202.98668	12.4
217.00250	4.9
219.06593	14.2
239.14128	3.4
313.10910	6.2
325.10626	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	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.19289	0.6
57.03454	2.5
59.01376	11.4
60.89706	0.7
69.03430	0.7
71.01375	3.9
71.05042	0.9
71.45193	0.7
73.02953	2.7
82.00996	0.6
82.93860	0.7
83.05025	5.0
85.02949	1.8
87.04549	1.1
89.02451	3.5
95.05031	0.8
98.78259	0.6
99.73508	0.6
101.02463	2.3
101.06040	1.0
109.06617	1.5
113.02448	3.8
125.09792	0.7
135.08185	2.0
137.02460	2.9
137.09709	12.8
145.02956	0.9
155.10777	81.8
156.11124	4.4
161.04628	0.7
169.12299	1.3
171.10205	3.1
181.08719	2.7
199.09755	100.0
200.10130	5.1
201.11353	2.2
209.11978	0.8
211.13298	0.8
223.09698	1.8
229.14594	1.1
241.10825	3.5
247.30885	0.7
273.17044	1.1
301.12769	0.7
319.21320	0.9
360.23990	0.9
361.10095	1.1
361.14743	1.8
361.18558	2.0
361.22266	23.0
362.22455	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	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48867	1.4
58.33016	1.6
59.01381	18.8
61.94372	1.3
83.94986	1.4
99.92585	3.1
103.50529	1.4
279.23288	100.0
280.23639	9.5
322.74518	1.4
361.23547	22.4
362.23953	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	362.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.4
61.98825	3.5
71.01375	2.6
74.02480	16.9
82.02989	2.5
87.05641	2.3
88.04042	2.0
89.02471	1.9
96.00906	10.9
98.22695	3.7
99.05637	2.4
101.02453	2.1
109.01695	2.0
113.03576	12.3
114.01962	3.8
115.08786	1.5
115.44545	1.5
116.07187	2.1
119.05076	3.9
124.07687	3.1
125.07224	5.5
126.05591	3.0
131.04578	2.1
132.58159	1.7
139.08759	4.6
141.10304	2.3
143.11908	5.2
147.05972	2.5
148.04401	30.1
151.08736	2.7
152.07178	28.4
155.11864	3.8
156.04903	3.7
156.70599	1.7
164.07162	2.4
181.09821	2.3
191.11894	3.7
192.91745	1.6
199.10889	4.0
201.07648	5.0
203.12210	2.1
206.31604	1.5
208.09789	6.0
213.08862	2.2
217.09848	3.2
226.15570	2.1
229.10120	2.1
235.10905	3.1
243.11732	4.3
247.11131	8.6
265.10092	1.6
277.19501	1.5
279.09879	3.3
283.11295	3.3
296.43600	1.8
318.14920	16.2
319.15134	1.7
327.10178	100.0
328.10349	8.3
344.12820	48.0
345.13028	3.2
362.13809	23.5
362.17621	3.7
363.16901	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	362.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	0.8
59.01377	100.0
60.01712	0.8
61.98828	14.2
71.01392	2.5
73.02949	1.1
85.02966	1.1
87.05708	0.6
88.04041	4.3
89.02474	1.8
99.92586	1.0
100.93359	0.7
101.02458	1.7
112.99052	0.6
113.02446	1.4
114.05626	0.7
115.00317	0.6
115.92045	2.0
116.92863	0.8
119.03637	0.6
119.05049	1.5
130.08778	1.5
140.07178	71.7
141.07579	2.7
142.12398	0.8
145.02972	2.5
148.04485	1.3
161.04660	0.9
161.06139	0.9
163.04079	1.2
164.07198	1.1
173.87086	0.6
187.04091	1.8
188.04404	1.3
201.12582	0.8
222.81445	0.7
243.13510	3.1
257.13086	1.0
273.14731	0.8
298.04929	0.6
302.12488	1.6
318.14749	1.0
325.09341	0.8
345.10736	0.7
362.17914	1.8
363.06750	0.8
363.17065	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	362.2086
Annotation	Val Val Phe
Peak:m/z	Relative Intensity
52.17437	0.5
59.01379	3.0
61.98813	2.2
65.68110	0.5
67.65751	0.5
69.42071	2.2
71.01380	1.3
72.00912	4.5
73.02929	0.7
81.95152	0.5
82.02979	7.3
83.01369	1.0
85.02946	0.8
89.02425	1.0
91.05533	6.3
92.82143	0.5
94.02981	0.8
98.03964	0.6
98.21937	1.0
101.02431	0.9
108.02197	1.3
115.08779	21.0
116.07198	2.2
116.09066	0.9
118.06633	2.1
119.85054	0.5
122.06121	1.8
125.07240	1.3
130.08752	0.7
135.03320	0.6
135.48337	0.5
136.04060	6.3
136.07706	1.1
147.04529	20.6
152.03566	0.8
164.03542	8.5
164.07169	53.0
165.07582	2.5
166.91003	0.5
167.11859	3.3
169.13417	3.9
171.10193	1.9
183.10265	0.9
194.04552	5.0
195.05397	1.1
196.06178	6.0
196.14545	3.3
197.12936	8.7
198.13394	0.9
202.08730	0.6
202.12271	0.9
214.15616	39.4
215.08286	0.7
215.15973	2.0
219.15005	7.5
220.15433	0.7
231.15027	0.7
243.07788	0.6
244.09770	1.7
270.07852	1.1
275.13986	1.0
287.10388	24.9
313.08441	0.8
318.21832	7.4
319.22339	0.6
331.09348	10.8
331.12991	0.9
362.20892	100.0
362.25354	9.2
363.11914	2.9
363.16602	4.0
363.21201	12.7
363.25449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16545	0.8
59.01382	6.6
61.98826	3.9
65.99851	2.3
69.13466	0.6
69.20441	2.6
69.20851	1.2
71.01368	2.2
72.00945	1.0
73.04068	0.8
82.02982	36.5
83.01396	2.9
83.03352	0.8
85.02978	0.7
89.02448	2.1
91.05524	1.4
94.02995	3.1
98.22581	1.8
101.02407	1.2
105.02186	1.1
108.04534	1.0
109.28283	0.7
113.02476	1.0
115.08775	1.6
119.03423	1.0
120.00917	1.1
120.04568	1.0
121.01707	1.6
122.02491	1.4
122.06135	4.6
125.31484	0.7
126.26864	0.6
135.03290	1.3
136.04039	29.7
136.07669	1.6
137.04375	1.0
138.05606	1.1
147.04515	2.3
150.05630	1.2
152.03500	1.7
154.05106	1.0
160.07649	1.1
161.07187	1.5
164.03539	45.1
164.07161	7.2
165.03911	1.0
165.07509	1.9
169.09831	1.2
176.07195	1.6
177.10416	0.8
178.08722	2.0
180.03017	1.1
182.04646	1.6
183.10228	2.2
186.12476	4.1
188.07155	1.0
192.50302	0.8
194.04572	21.3
195.05310	7.0
196.06146	26.3
197.06604	1.2
200.07158	0.9
201.11369	1.4
202.08727	2.7
203.08290	0.7
204.06630	1.8
214.15610	2.9
215.05980	1.1
215.15979	2.0
217.06151	1.8
227.08292	0.9
228.06664	0.9
229.05998	1.0
231.07680	2.7
242.08353	1.0
243.04059	2.0
243.07828	0.9
244.09880	5.3
245.09402	3.1
257.05524	1.3
258.06491	2.1
259.07239	1.8
259.10690	1.8
269.09265	2.0
270.07718	5.6
271.07272	4.3
272.08029	1.5
276.07883	0.8
285.08990	1.0
287.10373	100.0
288.10733	9.1
291.09912	2.4
313.08356	2.2
319.13052	3.9
331.09344	45.1
332.09689	5.0
334.17703	7.0
362.20779	2.7
362.25391	2.0
363.11926	6.4
363.16626	5.0
363.21222	6.4
363.25717	2.2
364.12204	1.1
364.18414	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03437	1.3
59.01380	13.8
60.42807	0.3
60.65944	0.3
69.57033	1.0
71.01384	8.3
72.98894	0.7
72.99308	13.4
73.02944	4.8
83.01380	2.6
85.02942	5.3
86.00122	0.4
87.00875	0.6
88.20908	0.3
89.02431	1.9
95.01389	0.9
99.00856	1.2
101.02445	11.3
113.02431	3.2
113.40878	0.3
119.03497	1.0
129.01982	0.4
130.08730	1.5
133.25926	0.3
155.10751	0.7
161.04591	0.5
175.71725	0.3
179.70094	0.3
183.10255	2.5
201.11273	2.8
317.16025	0.5
328.22470	1.6
345.15515	2.0
363.16577	100.0
364.16898	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01377	53.0
69.44580	3.7
71.01376	19.6
72.99308	4.1
73.02943	1.0
79.29993	0.9
83.01374	2.4
85.02962	4.4
89.02445	17.6
95.01318	1.8
101.02428	12.0
107.08691	1.6
109.10210	2.9
109.16644	0.9
109.88931	0.9
113.02430	6.5
119.03493	7.2
119.05045	0.9
121.10213	1.1
123.03305	0.9
130.08730	2.5
136.07677	1.3
138.05617	2.8
139.11296	2.1
145.02988	1.7
150.98566	0.8
155.10802	1.5
164.07161	2.1
179.05644	1.1
183.10260	49.2
184.10591	2.8
201.11311	11.7
223.68208	0.9
227.08405	1.7
242.10686	1.5
257.12897	8.3
328.22443	1.0
363.16580	100.0
364.17197	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	363.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41064	5.5
85.02927	6.9
123.73106	5.5
136.38646	6.0
171.10240	8.3
175.03996	6.6
211.13402	8.7
243.46156	6.7
327.21768	100.0
328.22165	11.2
370.88263	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43533	0.6
54.84759	0.5
59.01380	100.0
60.01704	0.7
61.98813	0.8
63.23264	0.6
69.29983	0.9
69.30262	3.3
71.01364	2.9
73.66924	0.6
75.00863	0.8
77.84427	0.5
85.02973	0.8
89.02464	2.2
91.04012	4.6
101.02456	1.0
104.13155	0.7
108.02199	1.3
110.19299	0.6
113.02456	1.5
128.73277	0.5
137.09747	0.6
137.59540	0.6
139.11299	3.6
145.03012	0.9
161.77968	0.6
164.03412	0.6
169.79956	0.6
179.09653	0.7
183.10358	1.2
186.12549	0.7
196.06285	0.5
201.11319	6.6
201.15109	0.7
229.14452	16.4
230.14876	1.4
262.53702	0.6
273.39120	0.6
331.30115	0.7
361.44492	0.8
363.05365	0.8
363.16599	2.6
363.23758	2.8
364.18771	1.1
364.25095	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01379	100.0
60.01716	1.3
61.98828	0.8
69.09714	1.7
69.10143	2.4
71.01391	1.6
75.00906	0.7
83.81669	0.5
89.02433	1.3
91.04018	4.8
96.96097	0.6
113.02465	1.0
115.94381	0.6
123.05762	0.5
139.11301	10.7
140.11644	0.6
183.10260	7.2
201.11320	34.7
202.11736	1.6
225.11349	0.6
229.14445	22.8
229.16628	1.2
230.14796	1.4
363.23761	0.9
364.24979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35684	0.4
59.01378	100.0
60.01707	1.3
60.07148	0.4
69.49697	0.4
69.74798	0.9
71.01385	1.2
72.03081	0.5
73.02926	0.7
73.04075	0.9
76.21209	0.4
89.02464	1.7
91.04002	5.5
91.05556	0.9
101.02492	0.5
108.02183	0.6
113.02460	0.8
119.03548	0.5
129.10370	1.4
130.08786	0.5
147.04544	1.2
155.10725	0.6
157.06622	0.7
164.07143	3.9
168.11517	0.5
171.10323	0.5
183.10432	0.4
186.12483	3.4
199.11021	0.6
208.40222	0.4
229.14427	19.5
230.14923	1.4
233.16597	0.5
290.18704	0.7
334.17728	0.6
363.16586	5.3
363.23770	6.1
364.18863	7.7
364.23935	0.8
387.37775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.19563	1.3
61.98803	3.1
68.59061	1.4
70.57793	1.3
85.02927	1.7
91.04022	1.4
102.20174	1.3
124.75527	1.4
155.08263	1.8
229.14421	42.5
230.14745	2.0
300.44406	1.6
303.13306	2.7
363.20236	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	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36766	0.4
57.20352	0.4
59.01390	0.6
61.98830	100.0
69.73021	1.0
69.73373	1.3
163.25400	0.4
183.14020	1.0
236.70059	0.5
312.73972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83732	0.4
59.01386	0.8
61.98829	100.0
69.80332	1.3
121.02973	0.5
156.50195	0.4
183.13876	0.7
267.42453	0.4
331.70264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1877
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
69.52857	1.1
71.02494	0.7
72.00902	4.8
73.04066	11.2
82.06607	1.2
83.02502	1.4
83.06010	0.5
85.25997	0.6
91.05536	9.3
108.02167	1.2
110.35772	0.6
112.07695	1.5
118.06618	0.9
123.34937	0.6
129.10338	13.9
130.08722	1.3
139.08716	1.1
140.07181	5.5
141.10324	2.8
147.04515	18.5
148.04854	0.7
164.07156	53.3
165.06259	0.6
165.07506	2.5
168.11403	5.6
169.09813	5.1
182.08246	1.0
186.12465	48.6
186.64624	0.6
187.12810	1.9
198.12457	1.1
199.10840	6.8
233.16577	11.3
234.16946	1.2
240.38651	0.6
277.15549	1.5
290.18723	10.6
334.17679	8.5
335.18051	0.8
346.17706	1.3
364.18768	100.0
365.18964	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	364.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59851	0.5
52.14160	0.5
54.51288	0.5
59.01362	0.5
67.07495	0.4
69.32919	0.5
69.56004	1.1
69.56396	1.4
69.74985	0.5
70.51257	0.5
71.02510	0.6
72.00903	4.6
73.04062	9.8
73.07146	0.5
82.06623	1.2
83.02502	1.1
85.84946	0.6
90.64851	0.5
91.05527	10.4
108.02154	2.1
111.04377	0.8
112.07672	1.7
113.02621	0.6
118.06638	0.6
129.10341	17.4
129.54129	0.5
130.08736	2.0
139.08780	1.3
140.07184	5.7
141.10313	4.3
143.11859	0.9
147.04520	20.1
148.04837	0.9
148.38785	0.5
164.07159	55.5
165.07495	2.8
168.11435	6.8
169.09811	5.3
182.08224	1.0
186.12471	54.4
187.12799	2.2
198.12415	0.9
199.10881	6.9
202.96722	0.6
216.13704	0.9
233.16580	12.1
234.16928	1.1
277.15564	1.5
290.18723	8.0
291.19077	1.3
302.18607	0.9
320.19446	0.6
334.17715	9.5
335.17886	0.7
346.17621	1.7
346.24057	0.6
364.18771	100.0
365.19049	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	365.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34308	1.5
56.30793	1.5
59.01376	3.7
66.30993	1.7
69.51193	4.2
97.43118	1.6
98.04609	1.4
98.22527	3.1
104.79400	1.7
105.76759	1.4
119.05009	2.9
129.03450	4.9
130.58409	1.6
135.04526	29.6
145.02982	1.8
147.04524	33.0
148.04779	1.5
163.03964	5.4
164.04791	7.4
165.05566	100.0
166.05843	4.0
198.22174	1.7
249.24300	1.8
299.09253	7.8
300.09512	1.6
311.09351	4.7
329.10117	2.8
365.06680	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	42.0
60.01725	1.8
61.01791	2.1
61.98829	54.3
69.98234	1.6
71.01393	9.4
71.34192	1.7
72.99306	2.0
82.02987	4.4
85.02956	2.4
89.02453	5.6
91.15746	1.8
92.77035	1.9
101.02449	6.3
101.21553	1.6
106.07568	1.6
108.00121	1.8
108.02177	5.0
113.03589	4.8
113.53979	2.1
130.08740	1.7
145.07712	98.0
146.08044	4.2
161.04572	1.8
188.08295	100.0
189.08615	6.6
214.09837	37.5
227.10310	5.3
228.11411	2.1
256.10919	22.7
257.11356	2.2
261.12561	2.0
279.13504	3.1
304.13062	10.1
322.14078	77.8
323.14389	7.8
365.06564	7.5
365.19104	6.6
365.25183	3.2
366.07315	2.0
366.26416	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83566	0.4
57.03454	0.6
59.01377	100.0
60.01719	1.3
61.98829	1.3
71.01381	6.5
73.02937	2.1
74.02486	0.8
75.00851	0.5
83.01394	1.2
83.02541	0.6
85.02959	3.4
87.00893	0.6
87.05637	0.7
89.02461	2.9
95.01395	0.7
99.00894	0.6
101.02445	5.2
113.02448	2.9
113.23587	0.4
116.07170	0.5
119.03480	1.4
130.08731	0.9
137.25938	0.4
140.55490	0.5
152.81274	0.4
159.03088	0.7
159.04482	0.5
161.04555	3.9
164.07246	0.6
167.00986	0.8
203.10828	1.3
203.12917	0.5
222.33830	0.5
241.18996	0.5
259.76379	0.6
263.14120	0.5
264.14297	0.5
271.07285	1.3
286.17816	0.5
302.29565	0.4
305.16046	10.7
306.16388	0.7
328.22333	0.5
329.22864	0.7
337.06845	0.5
365.06329	3.0
365.18176	15.3
366.07117	0.6
366.14276	1.2
366.18530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
57.86278	0.5
59.01378	24.9
59.52594	0.4
61.35065	0.5
61.88861	0.5
65.47266	0.5
69.15409	3.2
71.01383	9.4
71.17775	0.5
72.99302	0.6
73.02945	1.7
78.74025	0.4
83.01383	1.9
85.02965	3.4
87.00871	0.7
89.02438	9.6
95.01408	1.3
99.00853	0.7
101.02447	9.3
113.02461	5.0
119.03474	3.0
127.11240	2.4
140.19502	0.6
141.12814	0.5
155.10774	0.7
157.12328	9.7
159.08051	0.5
171.13873	1.2
185.11821	1.4
187.13313	0.8
199.13411	1.1
203.07172	0.6
203.12868	28.6
204.13225	2.1
232.76938	0.5
245.13875	1.3
279.26819	0.5
365.06567	2.1
365.18121	100.0
366.18506	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
71.01382	0.6
87.00869	1.5
105.01934	4.2
109.64996	0.5
152.04840	0.6
152.12662	0.5
159.32686	0.5
199.13400	0.5
213.36050	0.5
233.22762	0.5
257.89233	0.5
259.20496	0.5
277.21719	100.0
278.22089	9.9
297.02731	0.5
321.24316	1.0
365.23126	1.2
365.26950	5.4
366.27420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
61.98827	0.5
64.96426	0.4
69.84846	1.0
85.06590	2.8
87.00845	0.4
87.82294	0.3
100.19585	0.3
107.42183	0.3
109.46152	0.3
116.92886	0.4
139.53168	0.3
158.35316	0.4
164.36859	0.4
192.67892	0.4
199.13380	3.6
261.18652	0.8
279.19623	16.0
280.20016	1.7
281.08606	0.4
282.94696	0.4
347.25870	6.9
348.26236	0.8
363.25427	0.5
365.26935	100.0
366.27271	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	365.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36660	19.6
51.41039	26.2
61.98824	52.3
69.15305	69.0
69.15704	44.2
84.26760	23.9
87.00872	100.0
118.97001	24.3
134.89032	21.5
347.25885	37.9
365.26822	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98829	100.0
66.46875	0.3
68.05863	0.4
69.38360	1.1
69.38763	0.7
71.01377	0.6
72.99313	0.5
79.54208	0.3
85.02980	0.5
85.95774	0.3
89.02444	0.5
98.22643	0.6
99.00919	0.4
101.02436	0.3
103.00784	0.3
112.98832	0.3
117.01965	0.4
140.56583	0.3
142.99902	1.0
153.05624	0.5
157.23412	0.3
167.07198	0.8
171.49310	0.3
173.00966	0.5
173.12985	0.3
174.01724	0.6
182.61430	0.3
205.12314	0.4
225.07796	0.6
365.18448	0.5
366.19052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37054	0.5
56.31063	0.5
59.01369	1.2
61.98813	0.7
72.00911	10.6
73.21700	0.5
78.95909	0.7
103.05541	0.9
123.94644	0.6
129.10658	0.6
147.04517	33.6
148.04849	1.6
164.07156	100.0
165.07500	4.7
167.03528	0.6
203.72133	0.6
250.99152	1.1
271.89279	0.6
367.10681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01935	0.8
55.01877	5.4
57.03450	4.4
57.05848	0.9
59.01377	42.1
61.98834	1.4
64.05639	0.9
67.19807	0.9
69.84372	3.3
71.01382	52.1
72.99306	1.7
73.02946	34.9
73.06590	1.0
73.91900	0.9
75.00862	2.1
83.01383	12.1
85.02947	29.7
86.00107	1.3
87.00875	3.1
89.02447	10.6
95.01400	2.5
97.02932	2.1
99.00891	10.6
101.02441	62.2
102.02760	2.3
105.14758	1.0
111.00866	2.2
111.04551	1.1
113.02448	19.5
115.03989	1.8
119.03461	1.0
123.04505	2.1
125.02438	2.8
127.05127	1.1
129.01912	2.0
131.03505	2.9
133.02950	1.2
134.03751	1.6
143.03506	2.3
149.04559	1.1
159.02989	5.9
161.04556	18.8
167.03473	5.3
191.05647	1.4
193.05009	2.0
195.96498	1.1
217.01317	1.8
232.03755	1.7
233.06720	2.4
235.11858	100.0
236.12143	5.4
247.06181	3.4
332.16479	2.4
367.06305	3.7
367.16058	89.1
368.16589	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	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
74.14043	0.4
92.92813	0.8
96.42709	0.5
96.62757	0.5
116.92843	0.9
133.06589	1.5
149.09715	61.5
150.10048	3.4
154.46471	0.6
194.90184	0.5
195.33844	0.5
205.15961	62.6
206.16292	4.0
237.97658	0.5
246.79228	0.5
291.89236	0.6
330.46887	0.5
367.26389	100.0
368.26675	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	367.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17387	84.8
56.61209	83.8
62.95076	71.5
71.44378	100.0
102.08527	78.2
110.29823	85.4
128.12857	77.2
132.44023	80.3
192.74530	84.4
275.16138	97.0
314.33002	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	13.8
61.98852	5.0
64.80183	3.4
69.21069	20.8
71.01390	4.7
87.16736	3.7
87.60784	3.6
89.02440	4.3
90.22453	4.1
90.41899	3.3
114.05587	9.8
115.00327	5.0
117.03436	18.6
119.05028	15.1
125.61746	3.4
127.05127	4.0
130.08760	5.7
145.02946	100.0
146.03293	6.5
163.03943	13.2
207.02986	5.6
236.61710	4.2
238.08400	5.1
325.09180	27.7
368.06381	4.4
369.05862	3.8
369.17587	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	368.1615
Annotation	Gly Phe Phe
Peak:m/z	Relative Intensity
55.26283	1.2
57.03445	1.6
59.01366	4.4
61.98812	4.6
68.77386	1.5
69.13776	7.8
71.01389	1.6
71.02509	1.6
72.00909	5.5
73.04069	85.1
74.02476	2.4
74.04366	1.2
74.97926	1.4
83.02498	11.1
83.05007	1.7
87.00922	1.7
91.05536	19.5
97.06590	1.2
98.21893	3.3
113.07346	1.3
117.30642	1.4
118.06631	20.9
118.69569	1.1
128.74083	1.3
135.04453	1.4
146.03302	1.3
146.06128	17.7
147.04523	23.6
159.06902	1.7
163.16530	1.3
164.07156	69.5
165.07544	4.5
175.08765	2.4
190.13794	1.3
203.08270	17.9
220.11003	2.7
233.11569	1.4
250.12373	49.5
251.12740	4.1
282.36963	1.7
286.85638	1.5
311.13815	1.5
368.16144	100.0
369.06192	2.2
369.16306	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	368.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37925	0.8
55.18628	0.8
59.01381	3.0
69.89117	1.2
71.01373	2.2
73.02945	1.2
74.02459	0.8
78.95884	1.0
79.02383	0.7
89.02449	1.3
89.49738	0.7
99.00847	0.9
101.02450	2.8
103.05766	1.0
110.07253	0.8
113.02422	1.0
117.00422	1.4
128.07220	0.9
129.20781	0.8
130.08739	100.0
131.02048	0.7
131.09052	3.7
134.04720	2.1
140.17169	0.8
154.06262	1.0
160.04079	1.0
161.04440	1.0
168.06667	1.3
173.03169	1.0
194.01630	1.0
199.00981	1.0
210.92487	0.7
210.95038	1.2
225.01624	0.9
232.46579	0.9
237.09802	2.8
368.19305	1.2
369.13974	2.7
369.18619	0.8
380.11075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34877	20.0
99.92607	3.6
133.74451	3.7
186.01175	4.0
307.30075	65.4
308.30389	7.7
311.17142	4.6
333.52695	3.5
351.29071	13.9
369.30051	100.0
370.30362	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
75.72608	1.2
111.71983	1.3
121.02961	9.4
125.87554	1.2
209.74730	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	371.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75330	2.1
57.03435	3.0
59.01376	6.1
69.03471	2.3
69.74283	6.9
80.91679	40.8
81.03452	5.5
82.95420	11.0
83.01404	5.3
93.03468	2.8
95.05053	6.4
97.02956	9.2
99.04552	2.0
109.02949	34.7
110.03263	2.2
121.02953	8.1
122.03712	5.1
123.04505	20.4
125.02454	26.4
135.04494	2.4
137.02448	56.6
138.03160	2.3
139.04001	4.2
147.67755	1.9
149.02448	5.4
151.04012	14.7
159.04527	3.6
161.02466	3.1
161.06059	5.1
164.01114	5.4
165.01938	6.3
166.02460	2.0
167.03568	4.8
171.71870	2.2
175.07680	2.9
179.03560	5.7
187.03993	7.5
188.04773	4.6
191.02034	4.3
202.06392	2.9
203.07144	16.1
205.05151	10.3
205.96635	3.1
221.08234	4.0
233.03104	2.9
233.96205	2.7
243.06389	4.2
245.08177	21.5
268.79224	2.2
286.95908	2.1
289.07178	100.0
290.07501	8.5
309.53528	2.1
311.05386	53.3
312.05591	3.4
329.05353	3.4
341.28888	2.1
361.76050	2.0
371.06332	14.3
371.23141	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	371.0771
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.58393	1.0
59.01377	2.6
60.51455	1.1
61.98833	5.8
70.67305	1.6
83.54300	1.0
96.08557	1.2
121.02955	100.0
122.03284	5.6
133.57051	1.1
160.59384	1.1
179.03481	9.2
225.05740	1.3
299.74490	1.5
371.07684	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	371.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24783	0.3
57.03434	0.4
59.01386	2.1
61.94735	0.2
61.98826	0.3
71.01383	0.4
73.02941	0.3
89.18029	0.2
93.03484	0.4
98.21799	0.7
108.02200	0.6
108.98302	0.3
109.02950	17.0
110.03261	0.6
117.03480	1.5
118.04253	0.4
118.15557	0.3
119.05002	0.6
121.02966	1.5
129.03441	0.4
130.08705	0.8
131.05081	0.4
131.84354	0.3
134.03723	0.7
137.02434	0.7
143.05016	0.9
145.02956	33.3
146.03745	29.6
146.04657	0.3
147.04547	3.7
157.03000	1.5
158.03714	4.5
159.04532	4.3
161.02452	2.3
162.03114	0.3
163.04021	4.0
173.02432	12.3
173.06181	0.3
174.03033	1.5
175.03987	1.2
177.05576	3.5
179.86258	0.3
185.02577	0.3
186.03156	0.4
187.03992	2.2
188.04747	1.6
189.01968	1.4
190.02724	14.7
191.03320	1.4
193.06465	0.4
201.01888	0.4
202.02727	0.9
203.03510	1.5
204.04260	5.0
205.05052	100.0
206.05397	6.6
209.06148	1.5
211.07625	0.5
216.04329	0.4
217.05048	13.4
218.05563	1.3
221.06018	0.5
225.05565	0.5
229.01419	5.0
230.01518	0.3
237.05545	0.4
238.06380	0.3
239.07083	1.0
248.04945	0.4
249.05630	2.3
250.06323	1.0
250.08707	0.3
253.05077	0.4
261.03949	1.5
265.05008	0.5
266.05807	1.0
267.03793	0.4
267.06622	6.8
268.07199	1.2
277.05060	3.2
278.05536	0.9
280.03833	0.4
293.04398	0.8
294.05280	0.6
295.06119	8.8
296.06470	1.0
309.07703	0.5
310.08231	0.3
327.08734	23.5
328.09070	2.7
339.05072	5.1
340.05472	0.7
370.26080	0.7
371.07642	3.7
371.24713	1.1
372.08173	0.4
372.27429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
60.24978	0.4
61.98811	0.4
63.60782	0.5
65.70422	0.4
67.32738	0.4
71.01381	5.8
72.99319	0.6
73.02966	0.4
74.02474	1.1
82.06615	1.3
83.06149	1.0
84.04536	4.1
85.02941	1.1
87.05637	3.6
88.04040	12.5
89.02435	4.5
93.03452	0.5
94.75542	0.4
95.01386	0.9
96.55770	0.5
101.02449	2.4
101.07203	0.9
102.05605	8.0
108.02180	1.5
109.02949	0.8
109.04098	1.9
111.05630	0.6
113.02454	1.8
114.05587	0.7
115.08763	0.6
119.03500	1.7
120.02180	0.6
121.02981	1.1
122.03716	0.5
125.03605	0.5
127.05138	8.7
127.06061	0.8
128.03532	17.1
129.06685	5.6
129.10339	6.3
130.08731	3.4
137.02449	4.5
139.08781	1.1
143.11891	1.6
145.02986	0.5
145.05144	0.7
145.06187	7.8
146.04616	4.0
147.04524	1.5
148.01657	7.8
149.02283	0.7
149.06088	0.6
150.03214	6.7
155.11920	0.5
158.09340	0.6
161.02408	0.7
163.04030	0.7
163.99382	1.8
164.08453	0.7
165.00183	0.7
165.05511	2.2
165.09183	7.3
166.08723	0.7
169.09840	1.0
171.15013	2.1
176.01141	73.2
177.01472	4.0
179.12045	0.5
180.10117	0.4
187.10960	0.6
189.01901	0.9
191.03493	100.0
192.03865	6.4
194.02153	3.7
195.15068	1.7
196.14520	5.6
197.14934	0.7
197.16615	1.1
199.18111	1.2
207.06567	1.1
209.04561	18.5
209.08162	13.0
210.04935	1.0
210.08365	0.6
214.15564	3.3
218.02153	0.8
223.10872	1.6
225.16058	6.5
233.04501	3.2
236.48828	0.5
242.18735	2.3
243.17102	7.7
251.05608	2.0
255.71838	0.4
257.08304	0.5
263.60254	0.4
266.13718	0.4
267.18405	0.8
281.06680	0.9
284.23553	1.0
285.19226	1.3
309.22922	2.4
311.07825	2.3
327.23917	2.0
328.22403	2.1
353.21674	1.2
363.04196	0.5
371.04654	0.8
371.09689	16.6
371.13599	2.0
371.19183	13.0
371.22983	17.4
372.10172	1.7
372.21341	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01712	1.1
61.72045	0.8
63.68344	0.9
63.68687	0.8
64.70128	0.8
71.03622	1.1
72.15299	0.8
73.76907	0.8
74.56686	0.9
91.46475	0.8
98.11009	0.9
103.05563	1.0
109.00005	0.9
117.09500	0.9
130.04233	6.7
131.05026	42.3
132.05357	2.0
132.15408	0.9
149.06081	95.6
150.06419	4.0
154.68373	0.8
211.38152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.92604	0.7
58.71166	0.8
59.01375	2.6
59.92419	0.9
70.61791	1.4
71.01414	1.0
95.66309	0.8
108.02170	10.3
111.04521	3.4
121.02957	2.1
122.03722	3.1
130.08743	2.5
135.04532	1.2
147.08163	3.4
162.06850	1.3
163.07648	3.6
164.08405	6.6
165.09198	38.9
166.09503	2.3
172.73639	0.9
173.06099	1.6
189.05519	2.3
191.07132	18.4
192.07484	1.1
209.08180	100.0
210.08539	7.2
371.08704	1.2
371.13422	22.9
371.26587	1.7
372.13727	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	371.2186
Annotation	TMC-96
Peak:m/z	Relative Intensity
52.95555	0.6
53.87868	0.6
59.01380	1.1
61.51746	0.6
63.18437	0.6
69.50715	1.1
69.51115	2.5
79.68442	0.7
81.03460	12.4
83.05022	47.1
84.05361	1.7
100.07675	12.9
117.08849	0.6
117.13694	0.7
127.03973	1.0
130.08746	1.4
130.34766	0.6
143.08340	0.6
151.62474	0.6
168.08562	0.7
172.00522	0.7
182.15501	0.8
199.18132	8.6
200.18541	0.7
225.16081	10.4
243.17126	29.5
244.17474	2.6
269.15054	2.6
309.21735	1.5
327.22751	0.8
352.27975	0.7
353.20801	7.9
354.21252	0.8
371.21835	100.0
372.16034	0.7
372.16916	0.8
372.22198	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	371.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	0.8
59.01376	3.0
61.98823	1.0
69.30145	1.9
69.30556	1.0
71.01367	1.6
73.04069	27.8
74.02464	3.6
82.03017	0.5
82.06631	2.3
84.04552	0.6
87.05630	7.7
88.04041	1.4
89.02409	0.9
96.96004	21.8
97.04081	1.3
98.22620	1.2
101.02438	0.7
101.07166	0.7
113.03584	0.6
114.09224	0.7
119.03492	0.6
125.03558	0.6
126.09283	0.7
127.05135	4.2
128.03545	0.7
129.10358	1.9
130.08739	93.0
131.09062	3.0
137.02518	0.6
139.08795	1.0
140.07161	2.9
141.10376	1.3
143.11931	6.3
144.07756	4.0
145.06192	1.2
146.03661	1.1
147.04553	3.2
153.10336	0.8
155.10797	0.7
155.11906	2.4
157.13470	1.9
159.04509	1.0
166.08766	4.1
168.09070	2.0
169.09851	2.2
179.11926	0.7
180.10335	4.0
182.12921	0.9
182.15482	1.1
183.11409	1.5
187.10918	0.6
190.02704	0.8
196.14554	2.6
197.12912	1.5
199.18166	15.5
200.18562	1.0
208.13588	0.9
209.16611	1.3
217.10718	0.8
223.10890	1.4
225.16139	1.0
239.15175	0.6
240.13501	4.0
241.11909	1.5
243.17195	4.0
256.20346	3.1
268.07443	1.3
270.21866	15.5
271.22141	0.9
283.09814	2.1
284.10446	0.6
291.14618	0.8
309.22864	0.8
327.24100	3.6
354.20187	2.7
371.10080	4.8
371.22971	100.0
372.22598	9.1
382.14517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.23
Annotation	Leu Leu Gln
Peak:m/z	Relative Intensity
58.02972	2.2
59.01383	19.6
61.98829	1.2
66.03497	1.1
71.01382	6.1
72.99300	1.0
73.02952	1.1
73.04089	0.8
74.02484	2.6
79.80844	0.7
82.02975	1.5
82.06615	3.1
83.06153	2.4
84.04546	8.2
85.02943	1.8
87.05646	7.2
88.04045	21.5
89.02431	5.6
94.67060	0.8
95.01366	1.5
98.21884	1.7
101.02445	4.3
101.07220	3.8
102.05618	9.6
102.21269	0.7
108.02192	3.0
109.02962	1.7
109.04067	7.8
111.04427	1.0
112.07686	2.7
113.02467	2.6
114.05580	0.9
115.08788	1.2
119.03503	2.4
121.02953	1.5
122.03745	0.8
125.03574	1.6
126.01953	1.6
127.05139	40.0
128.03546	26.0
128.05479	1.7
129.06712	9.5
129.10341	19.7
130.08731	4.2
130.10677	0.8
135.04465	1.4
137.02451	11.9
139.08830	4.1
143.11894	2.0
145.03012	1.3
145.06190	38.2
145.09845	1.4
146.04657	3.8
147.04498	2.9
148.01694	5.9
149.02399	1.4
149.06102	1.9
149.52541	0.8
150.03203	8.6
152.07016	0.8
155.11874	2.3
158.09399	1.4
161.02374	1.0
161.04507	0.8
163.99367	2.9
164.08424	1.5
165.00113	2.3
165.05573	3.3
165.09190	9.8
169.09883	1.3
171.15041	2.8
176.01151	69.2
177.01492	4.6
177.61711	0.8
179.11885	1.2
187.10838	1.2
189.01968	2.2
191.03505	100.0
192.03877	5.9
194.02197	3.8
195.15070	4.1
196.14554	26.7
197.14894	1.8
197.16605	6.3
199.18126	1.7
207.06641	1.0
209.04588	22.2
209.08162	20.1
210.08510	1.2
214.15617	8.5
223.10892	2.2
224.17639	1.5
225.12634	1.3
225.16087	20.8
226.16455	1.6
226.66786	0.8
233.04601	3.2
240.13643	0.9
242.18733	4.0
243.17140	7.8
251.05562	1.2
266.22296	1.1
267.18076	0.9
284.23581	0.9
285.19281	2.0
309.23016	9.3
311.07605	2.3
327.24054	7.5
328.22211	1.8
353.21991	4.9
371.04550	2.5
371.09763	16.7
371.13373	3.8
371.19159	21.0
371.22986	82.6
372.09784	1.9
372.21133	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41759	0.5
54.42031	0.6
54.60181	0.5
59.01376	2.9
66.03489	0.9
71.01390	1.5
73.68957	0.6
76.49187	0.6
82.06624	6.6
83.45332	0.6
84.04543	3.0
84.08195	1.4
87.05630	3.4
88.04039	10.3
89.02421	1.6
96.96024	1.0
97.06577	1.4
97.07690	1.5
99.09284	0.9
101.02429	0.8
102.05609	9.3
109.02965	0.7
112.07660	1.1
114.05643	0.7
115.08764	1.0
116.07201	0.9
125.02426	1.5
127.08774	1.8
128.02579	0.7
128.03539	14.6
129.10313	3.4
130.08736	100.0
131.09087	3.7
133.02985	0.9
135.90027	0.5
139.08780	1.5
141.10384	0.8
143.11890	1.1
144.11427	12.3
146.04660	4.1
147.04465	2.7
150.05620	0.6
154.09848	4.1
155.11894	0.6
169.09830	0.8
171.14993	2.6
182.15477	3.4
184.52873	0.6
191.03525	1.5
194.11961	1.0
197.16653	1.6
199.18155	22.3
200.18553	1.1
209.04538	2.2
210.16130	3.8
212.17618	5.2
214.19235	2.6
214.78162	0.6
223.10851	2.7
223.14508	0.8
225.16052	3.5
229.04301	0.6
240.17180	15.4
241.17456	1.6
242.18727	1.2
243.17126	9.8
257.19781	0.7
268.07492	0.6
283.09830	1.7
284.23386	0.9
327.27625	11.5
328.22400	1.8
328.27982	0.6
371.22876	6.3
371.26642	89.4
372.13681	1.2
372.21417	19.4
372.26923	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	372.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
61.98815	2.6
70.84826	1.0
70.85176	0.7
71.01386	3.3
72.99311	4.0
75.00875	5.4
88.04036	3.8
96.00907	1.7
102.05569	1.1
105.01933	100.0
106.02265	2.1
115.00388	2.6
116.07181	1.5
117.00456	1.0
123.04511	1.5
127.05133	1.4
128.03542	2.8
129.10332	2.8
130.08723	1.5
131.08272	1.0
133.01382	0.8
134.03712	0.8
134.04718	1.1
144.11380	0.9
145.06194	2.2
145.09854	1.7
149.06042	1.7
151.04004	2.8
166.08781	1.1
172.39409	0.9
182.13043	0.8
257.19827	5.6
258.14651	1.0
258.18188	3.1
264.81473	0.7
267.06732	1.1
267.31348	0.8
274.99246	0.8
284.98038	0.8
330.98315	2.7
338.13580	1.3
338.17276	0.9
355.16235	1.5
355.20129	1.2
372.18610	1.9
372.22696	2.2
373.16992	4.5
373.21301	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69009	0.8
55.30326	0.9
61.98829	100.0
69.55908	3.8
71.54877	0.8
85.00480	1.0
99.77560	0.8
217.12024	0.8
267.61646	0.9
272.28403	0.9
371.88474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13696	4.2
54.20525	3.7
55.89787	3.6
59.01381	8.1
61.77929	4.3
61.98826	100.0
69.52166	17.5
105.75520	3.8
121.41371	3.9
153.81577	4.1
162.83917	12.5
168.41998	4.5
210.16206	4.1
369.95642	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	372.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92752	0.8
56.82221	0.9
58.02950	1.0
59.01359	3.4
67.03014	0.7
68.05042	1.0
70.99182	1.0
71.01377	4.4
73.04057	1.9
74.02444	3.4
80.05032	1.2
82.02962	2.4
82.06641	1.5
84.04545	1.0
84.08176	1.3
87.05611	2.5
88.04014	3.1
95.03768	1.1
99.04492	1.2
100.04043	4.1
101.07207	5.1
102.05563	1.3
108.02145	2.2
109.02962	6.9
109.04058	1.8
115.00338	3.2
122.03748	16.0
123.03230	2.2
123.04480	0.8
124.01670	4.1
127.05114	7.8
128.03549	3.8
129.10312	1.4
130.08740	85.9
131.09096	3.9
133.02031	1.2
133.02954	13.1
135.04449	0.9
136.11320	4.2
137.02409	1.1
140.07176	9.8
141.10333	1.9
143.11865	2.8
145.06189	8.2
146.03615	1.7
146.04610	2.0
147.04526	6.8
148.05316	5.7
152.10732	0.9
161.06079	5.3
167.11879	2.3
169.09807	2.8
169.13412	1.3
171.14955	1.4
179.11856	2.9
180.10295	41.0
181.06158	1.0
181.10587	2.6
197.12932	10.8
199.18150	14.1
200.18611	1.0
209.13776	0.8
209.16534	2.3
213.05507	0.8
222.12364	1.6
223.10771	7.0
224.09309	4.7
231.08330	0.8
241.04945	1.9
241.11855	7.1
242.05809	7.5
242.18628	1.8
243.17058	6.0
251.06752	0.8
255.06581	1.3
256.20175	1.1
257.08139	1.7
267.80289	0.9
269.08008	2.1
270.08929	7.3
284.23520	1.8
285.11322	51.8
310.21255	3.2
329.10190	2.0
330.81238	0.8
354.20377	20.8
355.20309	2.6
372.21295	100.0
373.09363	9.3
373.21753	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	372.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	22.8
59.01373	1.7
61.98827	1.5
65.65810	0.8
69.02716	0.8
69.24107	4.1
72.00890	2.3
73.04067	1.5
74.02471	60.8
74.83837	1.0
75.02811	0.9
79.78688	0.8
80.05036	1.1
84.00891	0.9
86.02485	4.9
86.02917	0.9
96.08205	0.9
97.04117	0.8
98.22649	1.5
104.03537	39.2
104.33821	0.8
105.83556	0.7
109.02933	2.3
112.02776	1.5
112.07689	0.7
116.04980	0.9
125.03558	1.2
129.10356	13.7
130.08752	6.9
135.28453	0.7
139.08728	2.1
140.07187	2.6
143.11897	17.6
143.19563	0.7
152.07156	0.8
153.10312	3.0
154.08713	3.6
155.11905	25.5
164.14455	1.3
169.09837	2.5
171.11386	15.3
173.12912	2.0
180.10297	1.1
187.04005	1.7
187.10834	5.6
195.15031	3.1
197.16565	4.8
199.13223	1.7
199.18097	5.0
203.08318	2.8
208.13431	9.4
211.13251	1.1
216.14050	0.9
222.12306	0.8
223.18390	0.8
225.16071	9.7
228.63240	0.8
231.64423	0.8
241.14406	0.8
243.01715	0.7
253.14317	0.9
256.20303	37.1
257.20648	2.4
267.17184	4.5
268.20294	25.8
269.20544	2.9
285.18192	9.7
286.18506	1.0
286.21411	3.1
297.07898	1.2
298.21225	4.4
310.21368	20.1
311.21719	2.1
324.92249	0.9
328.22397	2.2
329.10345	2.4
334.17725	3.4
342.20309	59.9
343.20483	3.8
344.93692	0.9
354.20398	2.9
372.21353	100.0
373.22232	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	372.2138
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
51.28020	1.3
53.76844	1.5
58.18337	1.2
59.01374	4.8
63.68504	1.3
71.23717	1.9
82.06638	3.7
84.04544	12.8
102.05607	37.6
103.05959	1.6
112.07698	1.3
128.03542	83.6
129.03867	1.9
129.10335	11.6
130.08751	16.4
131.09074	1.6
133.33092	1.5
139.08768	5.6
146.04599	18.8
149.06116	3.4
154.12328	1.4
171.15038	12.2
195.14981	3.7
197.16615	5.3
199.18155	3.9
214.46922	1.5
215.13947	2.3
223.10854	9.4
225.16069	13.3
226.16493	1.5
228.57129	1.8
242.18777	4.7
243.17130	42.6
244.17517	2.6
248.62747	1.4
284.23486	3.4
284.40591	1.3
328.22394	8.5
337.05554	2.5
348.85730	1.7
372.21378	100.0
373.21796	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	372.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35701	1.1
59.01121	1.0
59.01382	12.7
69.91714	2.4
70.90562	0.9
71.01381	4.5
73.04050	1.7
73.46957	1.0
74.02470	2.2
82.06615	4.7
84.04547	17.6
84.75599	1.0
85.02953	1.9
89.02440	3.0
101.02420	1.8
102.05611	47.2
109.02943	1.0
112.07669	1.2
114.59624	1.0
115.08804	2.2
121.02971	1.3
127.05129	1.3
128.03543	92.8
129.03929	2.1
129.10332	13.8
130.08737	21.8
135.04482	1.4
137.00735	1.9
137.02492	1.6
139.08768	4.6
143.11899	1.6
145.06160	1.2
146.04604	21.3
148.07689	1.3
154.12431	1.6
155.11885	2.5
160.01651	2.2
165.00179	4.2
165.09215	1.3
166.09605	1.9
171.15021	12.5
192.07431	1.0
192.99634	26.4
193.01352	2.4
195.04176	1.0
195.15018	3.6
197.16547	6.0
199.18134	7.5
209.08168	3.5
210.08536	4.6
215.14085	1.8
221.06270	1.1
223.10896	9.0
225.13896	2.3
225.16081	19.7
226.16307	1.4
242.18752	7.1
243.17123	45.7
244.17476	3.2
267.06610	6.2
284.23477	4.2
285.07718	2.6
290.49622	1.1
328.22427	10.2
329.18484	1.3
329.22873	1.2
343.19965	2.9
372.13782	3.0
372.21371	100.0
373.05750	1.3
373.21585	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	372.214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94089	5.5
59.01392	16.8
61.98826	5.7
69.80312	7.7
69.80688	10.8
72.81310	5.3
82.06641	8.3
82.30956	5.7
98.21895	6.0
128.03584	6.8
130.08751	91.0
140.07172	8.2
145.06197	8.2
180.10336	36.1
197.12939	7.9
199.18187	15.7
223.10979	7.3
241.11934	7.3
310.21341	9.6
354.20370	33.6
355.20731	8.4
372.21301	100.0
372.28967	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	372.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40554	100.0
104.77806	20.9
105.20454	22.2
116.92822	34.7
120.22405	25.8
135.72272	22.1
136.46657	22.1
288.78650	26.2
339.85391	25.2
351.92239	25.6
391.87057	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	372.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.6
63.08039	0.3
70.00895	0.7
71.01376	0.8
71.82854	0.3
73.04075	0.5
78.79671	0.3
83.05013	0.8
89.02393	0.3
94.07194	0.3
94.59208	0.3
96.00906	1.1
98.22558	0.4
99.08109	0.3
100.07681	4.6
101.02460	0.6
104.08727	0.3
111.08138	0.3
113.02386	0.4
113.03556	1.4
130.08730	0.6
141.12859	0.9
159.63229	0.3
161.04552	0.5
169.12340	16.7
170.12688	1.0
215.16486	0.3
223.16991	0.4
225.18588	0.5
237.55995	0.3
266.33847	0.4
270.93427	0.3
300.19144	0.4
303.03903	0.3
326.26987	2.4
342.20706	0.3
354.20413	0.6
372.27539	100.0
373.27893	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	373.033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43004	1.2
54.93324	1.2
59.01376	26.1
62.21774	1.3
69.27544	2.8
69.27956	4.2
71.01374	16.2
72.99313	2.1
73.02939	2.8
73.04069	4.8
74.02468	6.6
75.00844	1.4
82.06606	3.7
83.01398	9.8
83.72779	1.4
84.04527	3.5
85.02940	2.8
87.00863	4.8
87.05660	1.6
88.04068	2.7
89.02448	8.0
93.03484	1.7
95.05022	1.4
99.00888	14.7
101.02428	6.4
102.05614	14.7
103.05142	2.0
103.05919	1.6
108.02158	1.9
109.02946	14.5
113.02462	3.2
115.00370	27.5
115.08759	1.9
116.07181	2.6
119.03495	3.6
119.04997	2.6
120.08183	2.4
121.02959	2.2
121.06590	3.8
121.08498	1.6
122.03754	5.3
123.04505	1.5
124.01620	2.2
126.76768	1.3
127.81120	1.3
128.03539	39.5
129.03830	3.3
129.10341	6.8
130.08743	18.5
131.09073	3.4
133.02957	14.9
134.05486	1.5
134.83124	1.4
135.04562	7.5
139.00337	1.6
139.07666	2.4
143.11916	1.5
145.03011	1.8
146.03569	1.9
146.04588	6.6
147.04500	9.3
148.05251	3.8
148.07674	5.1
149.06081	94.9
149.07974	2.5
150.05460	2.0
150.06516	4.0
151.05968	1.6
153.01930	1.6
154.12347	1.4
155.84106	1.4
159.03053	1.9
159.04497	2.1
159.29662	1.7
161.02446	29.9
161.04552	5.8
161.06070	6.7
162.02716	1.5
163.03972	7.3
165.05582	5.7
171.15042	4.0
174.03181	2.1
175.02458	14.3
175.04013	16.0
177.01923	28.4
177.05574	2.5
178.02292	1.8
179.03493	3.7
181.05058	2.3
187.04021	3.2
189.05573	4.4
191.03508	2.1
192.99739	1.7
193.05055	17.9
193.08623	1.7
195.15001	1.6
197.16588	1.9
199.18063	2.0
200.18346	1.2
203.03467	1.8
205.05070	3.9
206.02165	4.0
211.09732	3.4
219.02966	32.7
219.04967	2.4
220.03328	3.3
223.10847	3.5
224.11110	1.4
225.16090	4.7
226.16399	2.4
227.01793	1.7
231.06621	1.8
233.04518	23.6
234.04865	2.7
237.04039	43.7
238.04390	2.8
242.05811	3.0
242.18718	5.6
243.17047	11.0
243.19127	1.9
244.17455	3.4
249.07730	2.6
257.19931	1.4
267.06717	1.6
270.08884	3.0
275.05490	3.3
277.03525	32.7
278.03873	1.9
285.11310	15.3
286.11560	1.7
293.06693	12.8
319.04584	9.5
328.22372	1.6
328.27872	1.8
329.10324	1.7
337.05637	100.0
338.06042	9.8
343.19711	3.8
355.19638	1.5
372.21103	22.8
372.27292	6.8
373.03366	19.1
373.08786	2.6
373.14319	1.7
373.21432	20.7
373.26666	2.0
374.19080	2.7
393.83972	1.6
395.25922	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	373.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84340	0.6
59.01318	4.8
69.30880	1.9
69.31300	1.0
71.01381	5.5
73.04050	1.4
74.02434	0.7
78.59930	0.5
82.02944	1.4
82.06545	0.6
84.04457	0.6
85.99776	0.5
88.03975	1.9
89.02383	0.9
98.02419	0.9
98.22674	0.6
99.04445	0.8
99.93002	0.6
100.03983	1.9
101.02370	0.7
101.07159	2.4
102.05574	0.6
105.01871	0.7
108.02180	4.6
109.02957	11.2
110.03213	1.1
114.05560	1.4
115.00378	7.6
121.02902	1.8
122.03744	28.4
123.03223	0.6
123.04530	1.1
124.01667	10.8
127.05052	1.6
128.03477	2.0
130.08743	25.9
131.09087	5.5
133.02957	28.7
134.03293	0.7
135.04462	2.4
137.02361	2.2
137.11627	0.7
138.46428	0.5
140.07106	2.5
141.10281	0.8
143.11850	1.0
145.06224	2.9
146.03665	2.2
147.04538	12.8
148.05319	8.3
152.10724	0.7
154.02637	1.1
159.04543	0.9
160.05275	1.2
161.04745	0.9
161.06088	10.8
162.06487	0.7
163.03970	2.5
169.09682	0.8
179.03484	1.0
179.11926	0.8
180.10297	10.2
181.10686	4.9
187.03923	0.8
193.08650	0.7
197.12961	2.6
198.13242	1.2
199.18129	3.1
200.18355	1.3
203.08263	0.8
212.07306	0.6
213.05515	2.0
223.10789	1.3
224.09167	0.8
224.11089	0.7
225.09569	0.6
241.05013	4.7
241.11920	1.7
242.03577	1.2
242.05832	15.0
242.12312	1.4
243.06229	1.4
243.17110	1.3
244.17435	1.0
251.07031	0.7
254.05632	0.8
255.06635	3.7
256.07413	1.1
257.08173	7.3
258.08582	0.7
267.06665	1.6
268.07312	0.9
269.08160	6.3
270.08972	14.6
271.09375	1.6
283.09692	1.1
285.11322	100.0
286.11661	9.1
329.10571	2.1
331.82474	0.6
354.20114	3.9
355.20792	4.2
372.21194	13.8
372.28482	0.8
373.09274	14.5
373.21835	22.7
374.09784	1.4
374.18228	2.2
374.22189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1292
Annotation	5,7,2',3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
51.67456	4.9
57.05522	5.4
59.01358	20.1
61.73254	4.9
69.46680	14.3
78.27908	5.0
89.02405	8.1
95.95409	5.9
98.22646	11.0
108.02171	20.1
109.02943	8.0
123.00884	11.1
124.01659	9.2
137.02502	6.5
147.04491	8.8
151.00392	9.6
151.03883	7.4
162.03270	8.7
163.03976	21.8
166.02682	19.4
177.05539	9.5
181.05086	17.5
215.95905	6.4
263.98022	5.5
298.08569	13.2
313.10837	54.5
341.75214	6.7
343.11792	21.8
358.10315	5.3
373.12979	100.0
374.13159	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68806	1.2
59.01376	7.3
61.98812	3.6
66.03473	1.5
71.16518	1.8
79.46834	1.3
81.02213	2.1
82.06623	4.3
83.05012	1.3
83.84949	1.3
84.08178	1.9
85.02911	1.4
97.06532	2.4
107.51897	1.2
114.09227	1.8
124.11341	3.1
130.08742	100.0
131.09164	3.0
136.11336	1.7
138.09258	12.0
152.10832	1.7
156.06602	1.9
166.08667	2.0
169.09825	8.4
184.17078	4.5
195.14925	1.7
228.16115	11.6
237.16081	1.9
237.19661	6.1
243.17168	2.2
249.19675	1.8
251.17577	2.7
267.20834	6.1
281.18558	7.5
283.16553	7.0
293.18875	6.2
311.19763	38.6
312.20078	3.3
325.17715	15.0
337.17630	5.7
355.18756	56.8
355.25488	2.5
356.18973	5.9
373.13132	1.5
373.19672	9.6
373.26071	8.2
374.26392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55471	2.0
58.92599	1.8
59.01382	13.5
61.98815	5.5
62.53183	1.8
69.35278	8.5
74.93143	2.0
93.03481	2.8
115.48558	1.9
135.86868	1.8
150.10403	2.4
154.99866	1.9
165.12833	25.9
175.11310	2.4
191.22551	1.9
199.98984	1.8
203.66597	1.8
214.08450	1.9
218.83139	1.9
220.98820	1.8
242.08833	1.7
244.10878	3.9
247.20633	13.9
273.18552	5.9
291.19653	100.0
292.19952	11.1
313.17847	14.8
373.19867	14.6
374.20215	2.1
375.80566	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	373.2591
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.76794	0.8
54.56793	0.7
54.58880	0.7
55.60329	0.6
57.03435	1.7
59.01371	2.7
59.02101	0.7
60.48954	0.6
81.31169	0.8
97.06565	1.8
123.08154	2.3
139.11234	1.5
150.31425	0.7
163.78496	0.7
185.11807	10.2
208.68042	0.8
214.12132	1.0
285.08365	0.8
306.55750	0.8
307.35687	0.7
327.21561	1.0
355.24948	1.3
371.24173	1.7
373.25925	100.0
374.26294	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	374.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60199	0.8
53.95539	0.9
57.52397	1.0
59.01379	10.5
61.98827	100.0
75.39900	0.9
83.61008	1.1
100.82642	1.0
143.14175	0.9
164.83549	1.4
174.99216	3.2
199.98653	1.0
215.95944	1.5
217.00253	13.3
217.26649	1.0
316.07532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44890	1.0
53.86217	1.0
59.01382	9.2
66.03471	4.2
70.38046	0.9
70.76205	1.6
71.01365	1.4
73.04053	1.4
78.95901	1.4
82.02975	10.0
83.01359	1.2
88.04031	2.7
105.01912	1.8
108.04536	1.0
110.02474	41.6
111.02010	15.9
112.26727	1.0
113.33635	1.0
122.02455	2.8
124.04005	1.7
130.08739	69.5
131.09106	2.5
133.03011	1.0
140.03526	3.5
146.99683	1.2
152.03540	7.4
153.03032	3.5
174.99210	4.0
190.10513	1.1
200.05646	19.4
201.12439	1.4
216.05489	1.4
217.00279	11.7
218.06990	2.6
240.07272	1.0
243.06195	100.0
244.06630	6.5
244.08736	1.2
258.20135	1.9
272.04797	1.1
295.44156	1.1
297.65134	1.2
331.98419	1.2
356.08875	1.3
373.37033	1.3
374.15878	1.2
374.21503	4.3
374.99191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
61.98831	35.1
69.22330	21.4
69.22726	39.0
71.01381	19.2
74.02467	49.6
77.44593	10.5
85.02935	24.0
86.59032	11.4
89.02442	27.6
98.21770	20.1
101.02461	19.4
101.10134	13.1
104.03544	17.2
113.02453	19.8
114.05618	84.7
119.03487	13.8
122.44662	13.4
130.08720	14.2
133.02956	13.5
135.04533	26.6
152.03513	18.8
167.08307	13.6
177.01883	13.9
179.02148	19.5
194.04538	22.9
209.11414	11.9
217.00348	20.9
264.40753	12.9
266.39645	12.5
278.99918	12.0
297.80881	12.9
372.20459	15.2
374.21234	42.6
374.25583	37.8
375.16309	17.0
375.20691	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.98829	100.0
65.80853	0.6
69.71128	2.0
78.91087	0.6
98.21912	1.1
103.21735	0.7
129.12302	0.6
145.30313	0.7
150.69914	0.8
213.71436	0.7
217.00354	2.9
219.60834	0.8
261.35513	0.7
291.44562	0.8
297.97552	0.6
299.73578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34368	2.9
51.96109	2.6
54.89946	2.5
58.84381	2.7
59.01373	23.6
61.98831	99.8
65.04865	2.7
70.70551	4.8
93.00008	2.7
111.57569	2.8
169.74275	3.1
170.78459	3.5
174.99278	8.1
202.73212	3.2
215.96082	4.7
217.00284	34.4
232.10916	9.7
290.19159	2.9
340.56726	2.8
361.11011	3.0
374.19739	5.4
374.24475	100.0
375.24875	12.0
387.27701	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98829	2.4
63.28833	0.3
70.83265	0.3
84.37035	0.3
97.32937	0.2
99.53889	0.2
101.06085	1.0
116.68954	0.2
124.07680	0.9
174.99306	0.8
189.10321	0.4
194.92819	0.3
205.12201	0.3
210.90945	0.3
215.95911	0.3
217.00266	3.1
228.90630	0.3
232.10899	10.7
233.11151	0.6
272.31476	0.3
276.90720	0.3
289.17899	1.7
290.18713	2.6
316.16534	1.6
331.18713	0.4
358.21420	1.3
374.24475	100.0
375.24792	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	375.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
70.51398	0.7
71.01411	0.8
71.27290	0.6
77.03975	3.4
89.03990	1.4
95.05025	4.5
105.02791	1.3
105.03461	17.8
114.49545	0.7
123.04547	1.0
132.02208	0.7
133.02957	100.0
134.03319	4.7
151.04089	1.0
162.63458	0.8
170.96217	0.7
177.01924	62.0
178.02257	3.5
195.57758	0.7
217.00269	1.9
305.67691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.5
61.98809	1.6
66.91842	1.1
69.15263	6.6
93.03445	3.5
95.05013	1.5
98.22710	2.4
101.37092	1.0
121.02943	14.6
122.03723	8.2
123.31295	1.2
146.03751	10.0
147.04501	2.5
149.02437	100.0
150.03230	67.6
151.03581	2.3
161.06110	2.4
164.04800	18.7
165.05562	67.7
166.05919	3.0
174.99191	5.3
179.07120	9.4
180.04193	4.8
195.06606	33.0
203.93353	1.1
217.00308	21.2
269.08139	2.0
276.02435	1.2
281.08286	1.3
283.09744	2.6
297.08084	1.1
312.10037	28.3
313.10397	2.8
327.12357	90.7
328.12704	10.7
374.99362	2.0
375.11484	1.6
376.22122	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	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08056	0.6
53.26160	0.6
53.78368	0.6
59.01381	9.5
61.98845	0.7
68.11215	0.7
79.02813	0.6
93.03439	3.8
108.02202	0.9
109.02927	1.8
121.02937	5.4
122.03744	13.1
133.02937	1.2
136.01682	2.9
137.02432	9.2
146.03725	8.5
147.04523	1.9
149.02437	25.0
150.03223	89.4
151.03697	4.0
159.04613	0.7
161.06114	3.8
164.04785	11.5
164.07106	1.2
165.05560	100.0
166.05931	5.2
171.86461	0.7
172.05281	0.8
173.06093	0.8
174.99303	4.5
175.03987	0.6
179.07137	11.6
180.04272	5.9
180.07520	0.9
189.05521	0.7
190.06339	1.0
191.07141	0.9
194.05844	0.6
195.06616	46.5
196.06905	2.3
217.00284	12.3
267.06628	0.7
268.11127	0.6
279.06512	1.1
286.67709	0.7
297.11179	0.9
312.10022	3.7
327.12338	12.8
328.12531	1.5
329.10272	5.2
330.10538	1.0
345.13144	1.6
357.13409	0.7
374.99030	1.0
375.14240	1.7
375.22397	1.1
376.22369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48137	0.9
52.96299	0.9
55.01862	3.9
57.03437	3.0
58.00592	1.0
59.01376	72.0
60.15810	0.7
60.85125	0.8
61.98834	3.0
63.28215	0.8
70.28320	1.9
71.01379	37.4
72.99310	1.3
73.02941	10.2
74.02467	1.0
83.01382	9.7
85.02945	15.7
86.00098	1.3
87.00881	4.6
89.02440	26.1
95.01383	2.8
96.00959	1.5
98.22689	1.1
99.00887	4.1
101.02440	33.9
105.01927	6.6
105.03449	1.1
109.02943	1.0
113.02443	15.5
114.05590	2.1
119.03508	11.3
125.02435	1.0
126.00860	0.9
129.01945	1.2
130.08743	11.4
131.03529	1.2
133.02968	7.5
133.10243	1.8
137.02414	1.4
143.03542	1.2
148.04335	2.0
149.07251	0.9
155.08255	3.0
159.02963	2.1
161.04552	3.7
166.08690	1.0
169.12305	1.9
174.99283	0.8
176.52477	0.8
177.01907	3.5
177.09204	8.2
179.05573	1.6
195.10304	1.5
196.01273	6.2
197.02037	7.6
198.06703	0.9
212.08258	4.6
213.01567	7.5
217.00285	2.2
227.29391	0.8
241.07266	3.0
255.02422	1.0
255.08844	22.0
256.09225	1.6
269.14993	1.9
287.16183	2.2
341.11652	6.2
357.15518	31.4
358.15378	4.6
375.06750	26.5
375.16583	100.0
376.06891	1.7
376.17038	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63679	1.3
56.91245	1.5
57.03458	2.4
59.01373	32.5
61.98817	2.0
62.73806	1.4
64.22590	1.6
65.49828	1.5
71.01379	4.5
71.45468	1.8
75.00878	1.7
79.95750	1.4
85.02955	1.9
86.02256	1.4
89.02444	4.3
92.58945	1.4
95.64156	1.3
97.56464	1.6
101.02476	2.5
103.75535	1.4
113.02430	4.7
119.03555	1.9
120.99668	2.2
143.52606	1.6
151.11296	21.0
169.12337	74.3
170.12645	3.6
171.10269	1.9
174.99252	3.0
183.13913	2.1
193.12276	3.0
198.49113	1.5
202.75188	1.8
205.40247	1.6
213.11308	100.0
214.11658	7.2
217.00217	10.1
237.11293	4.2
250.88417	1.6
255.12323	1.8
299.00842	1.6
308.18137	1.5
375.23688	5.1
375.27740	24.9
397.59354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69640	0.9
59.01376	12.1
61.98808	1.5
62.62935	1.1
64.00574	1.1
71.01374	11.4
71.99946	1.1
80.91672	8.4
91.92285	1.0
99.92590	4.1
116.92883	1.3
120.48141	1.0
137.95074	1.1
154.42358	1.0
174.99245	4.7
177.09219	4.0
192.11554	8.5
205.12311	4.4
217.00293	15.5
218.09453	2.6
220.12492	1.4
220.14673	37.5
221.15443	100.0
222.15788	9.1
231.17404	1.9
236.10522	85.7
237.10875	6.3
253.76714	1.1
260.97198	1.1
293.17578	44.3
294.17874	4.8
314.10104	1.4
318.09467	2.5
321.15509	2.4
358.08740	2.6
375.17896	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28280	0.8
61.75655	1.0
69.82162	0.8
74.99070	4.7
81.16914	1.0
81.85653	1.0
102.45195	0.8
121.69323	0.8
133.56721	1.0
133.97998	0.9
143.05313	1.1
146.82674	0.9
155.66472	1.0
159.08482	12.0
161.06354	2.7
202.46437	0.8
209.01218	3.6
217.07271	1.0
277.07526	2.7
289.07489	2.3
291.09094	95.6
292.09213	13.6
314.85522	0.9
357.13745	2.6
359.15338	100.0
360.15491	17.1
370.45892	1.0
375.18405	7.7
376.18604	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94270	0.8
56.15081	0.7
68.71925	0.7
69.61706	2.7
73.84531	0.7
74.99055	3.0
98.21931	1.5
115.43500	0.6
159.08449	9.5
161.06352	2.6
192.98029	1.4
209.01237	2.5
217.07188	1.3
277.07468	1.7
289.07449	1.6
291.09094	100.0
292.09189	11.7
319.62491	0.7
357.13797	1.9
359.15341	99.0
360.15521	15.4
375.18454	9.2
376.18420	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01380	59.2
60.01704	0.9
61.98831	17.9
68.17727	0.7
70.39597	0.8
70.39921	1.4
71.01383	24.3
72.99280	1.0
73.02943	2.0
83.01398	1.7
85.02957	6.0
87.00874	1.5
89.02447	20.4
95.01395	1.5
101.02437	13.2
113.02476	7.3
119.03496	6.6
162.31204	0.7
169.12422	1.0
173.29411	0.7
174.99165	1.7
183.13942	1.0
195.13861	8.3
196.14333	1.2
206.30936	0.7
213.14937	7.9
217.00322	6.9
225.94182	0.6
317.07550	0.7
355.08527	0.8
357.19159	0.7
373.26083	0.9
375.20233	100.0
375.27301	21.3
376.20541	9.6
376.28107	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.7
61.98844	3.9
70.66039	3.1
76.93073	2.1
82.64639	2.2
86.76808	1.9
93.98339	2.1
95.05053	4.1
99.92613	3.9
108.06203	2.4
109.06614	2.8
121.10254	28.3
122.10616	2.5
127.96488	2.1
171.10265	64.0
174.99223	7.0
183.10274	2.4
183.13985	2.9
184.42432	2.3
207.09967	5.1
217.00293	22.4
275.20154	100.0
276.20514	9.8
278.11301	9.7
293.21194	94.0
294.21503	4.7
297.18268	5.4
315.19403	55.7
316.19666	5.7
359.18109	2.9
375.21506	49.6
376.21689	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.9
59.01380	22.1
69.25050	5.6
69.25462	2.5
95.05026	29.7
96.29989	1.6
98.21898	3.4
99.92591	2.4
107.40781	1.2
110.07985	1.4
124.27467	1.2
150.02956	1.5
195.13916	10.9
196.14590	2.0
217.00255	2.6
223.13440	8.7
246.12355	30.7
247.12680	2.3
256.13101	2.0
275.20120	4.9
278.11328	62.7
279.11649	4.7
293.21222	100.0
293.71997	1.4
294.21594	8.6
315.19385	19.7
338.12027	2.0
375.21484	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.2
59.01378	29.6
61.98823	6.4
67.69227	2.0
69.19646	11.0
93.03436	3.0
113.09721	21.7
160.01155	2.2
167.10751	2.7
174.99294	2.7
179.10869	2.5
195.13792	2.4
217.00337	10.9
217.12112	2.5
249.11407	2.1
272.13824	3.2
293.17862	3.7
293.21207	75.3
294.21542	8.1
304.04184	2.1
315.19388	100.0
316.19824	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.0
69.70370	2.0
69.70717	3.4
87.94804	1.2
91.65414	1.1
145.31088	1.1
146.04813	1.4
173.08290	1.3
174.99266	1.5
217.00294	5.1
249.22237	1.2
257.13025	1.8
265.15503	1.8
293.21222	100.0
294.21500	8.9
299.57703	1.1
304.14252	2.1
315.19406	30.4
316.19571	3.2
324.91919	1.4
357.21573	2.1
375.22195	15.2
376.21790	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	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
58.00581	0.3
59.01378	0.9
69.03439	0.3
69.19247	0.5
71.01376	0.3
71.05035	0.2
73.02946	0.5
83.05019	0.2
85.02942	0.3
87.04514	1.0
94.37183	0.1
95.04944	0.1
96.02895	0.1
97.06595	0.6
99.08192	0.2
101.02444	0.2
101.06082	0.2
109.06573	0.5
111.08154	0.4
113.02481	0.2
113.09742	0.4
123.08166	1.1
125.09711	0.3
135.08148	0.5
135.98351	0.2
137.09669	0.1
138.06885	0.3
139.11310	1.0
141.09198	0.2
141.12863	0.7
145.05046	0.2
151.11310	0.2
153.09222	0.8
157.12344	2.0
158.12617	0.1
169.12335	1.1
171.10291	0.1
171.13918	0.3
173.08174	0.2
174.99297	0.1
185.11827	2.7
185.13406	0.2
186.12234	0.1
213.11304	0.1
214.12088	0.2
215.12875	1.4
216.13208	0.1
217.00296	0.6
223.17072	0.1
243.16139	0.1
247.12013	0.1
251.20139	0.3
287.22247	0.1
293.21173	0.2
309.24249	0.2
311.22247	0.7
327.21695	0.3
327.25482	0.5
329.23334	2.9
330.23657	0.3
339.25369	0.6
340.25394	0.1
355.24890	0.2
357.10956	0.1
357.26456	3.5
358.26807	0.4
373.25958	3.0
374.26248	0.3
375.27502	100.0
376.27853	12.0
385.90649	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09153	0.3
57.03456	2.0
58.00580	0.4
59.01376	4.0
61.98808	0.4
66.92413	0.2
69.03448	0.7
69.20564	0.9
73.02934	0.6
85.02963	0.3
87.04498	0.8
87.27623	0.2
97.06581	0.6
98.22683	0.6
98.67555	0.3
109.06595	0.5
113.09718	0.3
123.08165	1.3
125.09745	0.6
127.11311	0.4
129.78223	0.3
133.84995	0.2
135.08150	0.7
137.09688	0.4
139.11264	1.1
141.12857	0.5
153.09196	0.6
155.10812	0.4
157.12329	1.9
164.04185	0.3
169.12352	1.0
171.10182	0.4
174.99284	0.8
175.58807	0.3
182.42195	0.2
185.11836	2.8
186.44104	0.3
215.12857	1.3
217.00287	2.3
256.59296	0.3
311.22180	0.6
327.21869	0.3
327.25406	0.6
329.23328	2.5
330.23749	0.5
339.25354	0.3
355.24899	0.4
357.26465	3.1
358.26892	0.3
373.25949	3.0
375.27493	100.0
376.27875	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	376.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
59.01379	40.8
61.98833	8.1
70.02977	2.3
71.01382	8.5
73.02935	2.2
74.02464	1.1
81.02193	1.3
82.02970	2.6
82.06620	2.3
83.01375	1.7
85.02941	2.6
89.02433	4.3
96.00909	18.7
98.02468	2.5
100.04071	1.5
101.02429	4.4
105.01951	3.1
108.04504	1.0
109.01693	2.9
109.60184	0.9
113.02459	2.2
113.03558	10.9
114.01934	1.2
114.05607	1.6
114.95621	1.0
116.07234	1.4
117.60739	1.1
119.03558	1.7
130.08720	6.0
131.04642	1.6
131.09079	1.4
132.03058	1.6
133.02939	4.4
134.03687	1.7
135.04529	24.8
138.09236	4.2
139.08772	5.7
140.07213	3.7
148.04378	29.0
153.09201	2.2
153.10336	5.7
154.08716	1.3
155.08228	1.5
155.11864	2.3
156.04884	3.8
161.02411	2.8
161.04553	2.5
162.05679	1.1
165.10347	2.3
166.08736	23.7
167.09151	1.6
169.13458	1.8
171.10274	1.6
178.12451	1.5
179.03435	3.1
183.11389	1.5
195.11398	2.1
203.11835	1.2
205.13457	1.5
206.11877	2.1
210.07698	1.8
213.12428	2.3
215.09221	2.9
215.12509	1.2
222.11337	5.8
227.10439	1.3
231.11354	3.2
236.11703	1.1
243.11696	2.5
244.46342	1.1
245.16197	1.0
249.12425	2.9
253.08694	1.0
253.13773	1.3
261.12692	7.6
270.15366	1.0
279.11566	1.6
288.16507	1.1
293.11533	2.5
297.12653	1.8
300.68130	0.9
317.16089	6.0
332.20685	2.0
341.11746	100.0
342.11990	9.2
358.14413	51.3
359.14334	4.3
376.07260	2.2
376.15335	15.9
377.18268	11.8
377.22385	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	376.1764
Annotation	Stephasunoline
Peak:m/z	Relative Intensity
55.01344	1.4
57.81319	1.2
59.01401	3.0
61.98827	2.4
68.99818	63.1
69.19958	7.0
75.00871	1.4
93.34498	1.4
96.99310	65.6
98.22709	2.4
104.65118	1.3
107.53163	1.2
107.91892	1.3
134.43839	1.5
177.90952	1.3
217.00366	1.7
230.15508	45.2
231.09085	1.6
231.16022	3.2
232.17012	4.5
259.08325	2.3
260.16660	1.4
275.02344	1.5
288.15924	1.6
316.15509	16.5
317.15994	1.6
376.17633	100.0
377.18024	10.2
377.23047	2.1
378.66400	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	376.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80095	0.4
58.02977	12.7
59.01369	1.6
69.14566	2.6
70.23086	0.6
71.02522	0.6
74.02472	67.0
82.06635	0.7
85.04067	3.7
91.05521	1.7
98.06495	0.5
109.89842	0.5
112.02831	1.1
112.07697	3.3
113.03576	2.1
116.05057	21.0
117.05427	0.7
123.06911	0.6
125.03587	1.3
126.09221	0.8
129.10342	72.2
130.06631	1.5
130.08749	1.0
130.10695	2.4
147.04517	0.8
153.10291	2.8
154.08804	1.2
160.07677	14.8
161.08000	0.6
163.08806	0.9
164.07098	0.7
166.06316	0.8
171.11391	31.9
172.09773	0.5
172.11757	1.2
174.05632	2.0
177.10367	0.7
186.05635	1.1
187.08760	0.7
198.12839	1.4
204.06625	3.4
221.09300	7.6
241.14334	1.1
242.11862	34.5
243.12129	3.1
253.15956	0.5
254.65866	0.6
255.15016	0.7
259.14624	0.6
290.18707	2.9
293.26721	0.5
301.12250	0.7
301.15515	9.5
332.19727	5.2
333.16974	1.1
376.18756	100.0
377.19284	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	376.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50755	0.6
59.01380	5.1
61.84207	0.6
66.54615	0.6
69.36639	2.6
71.01383	1.1
72.00911	3.6
72.64008	0.5
82.06623	2.4
89.02471	0.7
91.05540	5.8
101.02470	0.7
112.07698	0.6
113.02374	0.7
115.08776	25.1
116.07143	1.2
118.06644	1.8
125.07229	3.9
129.10347	7.5
130.08737	26.5
131.05008	1.7
131.09111	0.7
137.02441	6.5
147.04524	15.0
148.04918	1.0
160.66046	0.5
164.07162	41.7
165.07516	2.7
181.13428	2.3
183.15042	3.5
185.16599	1.0
210.16078	1.6
211.14522	8.2
212.14908	0.6
216.13918	5.5
219.14989	0.8
220.10269	0.6
228.17162	28.6
229.17409	1.4
233.04512	0.5
233.16589	3.5
245.12999	4.9
277.15417	0.9
300.10602	1.6
332.23306	6.1
341.11688	0.7
344.09433	0.9
359.15573	0.7
361.22507	3.2
376.22336	100.0
377.17905	0.5
377.22397	11.7
377.64334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98824	2.2
66.67052	0.3
75.00885	0.3
79.56077	0.3
83.05016	0.4
100.07686	0.8
106.04269	1.2
107.05088	0.4
109.06611	0.3
113.40377	0.3
119.05022	1.0
121.02930	0.8
125.10606	0.3
140.87329	0.3
156.10605	0.3
163.32097	0.3
191.14442	2.0
217.12372	0.4
219.13885	27.3
220.14212	1.9
235.13339	0.4
257.19110	11.5
257.21811	0.7
258.19379	1.1
273.18552	3.9
273.90665	0.3
275.20190	3.3
276.20844	0.3
295.20624	1.3
306.51773	0.4
340.26489	0.9
358.27667	0.7
376.28552	100.0
377.28860	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	376.2857
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
59.01355	0.3
61.98817	0.7
69.10037	1.3
69.10452	0.8
77.66084	0.3
83.05036	0.6
83.20713	0.3
84.18257	0.3
92.02641	0.3
100.07684	0.7
106.04243	1.5
107.05036	0.4
119.05040	1.0
121.02971	0.6
134.89565	0.3
135.97224	0.4
143.19711	0.3
159.89772	0.3
191.14386	1.6
193.79030	0.3
198.65489	0.3
206.81041	0.3
219.13892	25.9
220.14285	2.1
233.15321	0.5
235.13379	0.7
257.19083	10.4
258.19495	0.8
273.18643	3.9
274.18845	0.6
274.71555	0.4
275.20175	3.0
295.20541	1.7
311.20163	0.4
340.26431	1.3
356.25934	0.6
358.27475	0.6
374.26935	0.6
374.63120	0.3
376.28555	100.0
377.28885	13.3
390.47012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94206	3.7
59.01376	55.0
61.98822	9.1
69.56884	15.5
71.01383	16.4
77.03961	5.6
78.95863	4.7
86.48083	3.7
89.00963	4.5
89.02450	27.3
95.04996	4.8
98.21918	7.6
99.00845	4.6
101.00963	4.1
101.02431	10.8
105.03439	14.0
113.02457	5.7
115.02536	6.7
117.00441	46.5
118.00550	4.2
119.03562	6.1
127.02505	5.1
131.02007	81.4
132.02116	5.9
133.02951	100.0
134.03304	10.5
135.04524	13.3
140.97006	3.8
141.00409	7.0
143.01976	6.9
145.03606	25.1
145.04601	3.8
150.04149	7.9
161.02438	43.9
163.69745	3.8
170.97849	27.9
177.01913	55.5
178.02245	5.5
179.03523	9.6
179.05637	13.1
183.01457	10.5
199.00888	4.5
213.75929	3.6
215.00459	14.3
215.03271	9.3
223.82779	3.4
227.00421	4.8
257.01517	75.3
258.01599	12.3
277.23035	3.6
285.01068	13.0
341.11209	52.3
377.08569	38.0
378.08957	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53700	2.8
54.66000	2.4
55.94259	2.2
59.01376	28.2
70.51029	3.8
70.51369	3.7
71.01376	23.2
85.02957	3.1
89.02431	30.8
101.02455	9.0
113.02446	8.5
119.03522	12.3
131.03520	4.2
143.03517	3.1
163.06396	2.4
179.05600	12.4
197.02332	3.7
198.13138	2.5
200.52455	2.7
215.03307	17.5
335.93906	2.7
341.10886	100.0
341.15063	5.0
342.11264	7.5
377.08517	65.8
378.08643	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	377.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47260	27.4
57.36676	28.7
59.01386	66.1
61.98840	41.9
70.44959	49.2
70.45278	31.7
81.98646	25.1
87.00870	39.3
89.02468	26.5
113.02351	34.9
123.26447	30.7
169.68488	28.4
179.05649	33.8
213.30078	30.8
341.10989	100.0
357.21124	29.6
377.08698	71.5
377.18225	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85478	34.3
59.01387	100.0
70.72538	36.7
179.07129	69.5
193.07071	34.6
341.11221	52.4
377.08762	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85478	34.3
59.01387	100.0
70.72538	36.7
179.07129	69.5
193.07071	34.6
341.11221	52.4
377.08762	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1425
Annotation	Go 6976
Peak:m/z	Relative Intensity
50.51665	2.4
61.98820	8.1
69.71701	2.4
70.33460	4.3
84.93853	4.0
89.41823	2.6
98.22584	2.6
99.92584	80.9
100.92613	4.2
100.93361	13.7
103.80954	2.9
110.37097	2.3
115.92075	23.3
116.92865	100.0
117.92855	5.8
166.04016	2.9
277.21625	7.3
293.17685	10.0
308.07220	3.0
373.11133	2.8
377.14224	53.0
378.14395	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23903	3.9
59.01112	4.8
59.01380	49.4
61.98833	7.5
70.31599	5.6
71.01395	8.7
72.44493	3.7
73.04063	9.0
73.87367	3.4
77.76025	3.4
80.33579	3.1
89.02422	7.2
98.22579	4.8
101.02438	3.4
114.10355	3.4
116.07186	8.4
129.10301	8.4
130.08745	18.8
137.09666	6.8
145.02943	5.2
147.04462	8.2
155.10771	100.0
163.04037	4.3
164.07117	21.1
171.10246	24.1
174.31070	3.4
181.08667	6.3
186.12505	18.1
199.09753	22.7
215.19185	3.9
217.10738	39.3
244.82065	4.1
264.68335	4.0
273.13431	26.2
291.14481	95.1
292.14719	6.9
333.15503	52.5
334.17340	13.3
342.24026	4.9
377.21979	16.6
378.20389	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01376	15.6
61.98837	0.9
74.03158	0.9
80.91669	0.9
95.05030	6.8
96.96009	1.0
98.21851	1.9
113.09732	1.8
116.92784	1.0
154.26445	0.9
177.12898	0.9
181.12305	1.3
195.13916	16.9
196.14267	1.2
217.12057	1.7
225.32504	0.9
246.12256	1.2
265.14780	1.2
277.21735	16.6
278.11328	3.5
278.22092	1.2
295.22766	100.0
296.23178	9.6
317.20956	52.8
318.21133	4.2
338.12042	1.0
360.13788	1.5
361.19849	1.5
377.22763	10.5
378.22864	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	378.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02425	0.3
57.05572	0.3
59.01378	0.7
61.98830	100.0
64.82603	0.3
72.87893	0.4
93.39403	0.4
123.04576	0.4
123.91522	0.3
125.74294	0.4
133.02953	0.5
135.04533	0.6
153.05652	0.6
158.46375	0.4
161.02437	2.5
162.02800	1.0
173.78865	0.3
179.03496	0.6
180.03897	0.3
181.52875	0.3
181.73070	0.3
257.54852	0.4
341.08762	0.4
342.09097	0.9
343.20056	0.5
349.99777	0.3
379.16272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85804	1.1
59.01379	11.4
61.98831	7.9
66.03498	1.2
69.42354	6.2
70.02979	1.8
71.01389	3.5
72.00905	4.5
72.06743	1.4
74.02452	1.8
75.00880	1.3
78.82642	1.1
81.02212	4.6
82.02991	1.5
85.02975	2.0
89.02428	2.1
91.05538	4.3
96.00912	8.4
96.39228	1.2
98.02467	10.4
101.02422	3.4
102.63023	1.2
108.03284	1.8
109.01678	2.9
113.03580	13.0
114.01978	1.5
114.03896	1.4
115.08775	12.9
116.05058	1.8
116.07150	1.5
118.06621	2.9
124.02816	4.6
124.07676	4.2
125.07208	3.6
126.05618	3.2
129.10373	1.5
130.08691	1.2
131.04596	1.9
132.90358	1.2
133.66350	1.3
141.06718	5.9
143.59404	1.3
147.04517	20.4
151.08783	13.0
152.07172	32.4
152.08397	2.3
153.06673	3.6
155.10762	9.2
157.06563	1.3
163.08728	1.3
164.07156	46.9
165.07498	2.0
167.08203	3.0
169.09850	6.3
171.10237	6.6
172.07661	2.3
177.06650	2.0
179.03502	4.4
195.07721	8.3
199.06505	2.9
199.09665	1.6
200.07118	2.2
213.08783	4.9
213.11169	1.9
217.10797	14.9
219.14996	3.3
245.12964	2.6
253.13649	1.3
255.14940	3.0
256.08514	6.8
256.13358	1.7
259.11932	2.3
263.13907	9.5
281.12994	4.4
285.08719	1.7
288.64087	1.5
299.14029	10.9
300.14478	2.2
334.17639	2.9
343.12973	100.0
344.13300	12.5
360.15613	47.1
361.13651	6.7
378.07062	1.3
378.16608	27.3
379.15936	21.7
379.23636	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	378.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07492	1.7
59.01386	19.7
61.98835	9.3
70.02959	1.9
71.01376	7.4
72.00913	5.5
74.02473	3.0
81.02200	5.2
82.03001	3.2
85.02983	1.8
87.00867	1.8
87.05686	2.1
89.02443	5.3
91.05534	4.2
96.00933	9.0
96.04556	1.7
98.02466	11.4
101.02434	3.2
102.73486	1.5
102.91657	1.4
109.01714	3.4
109.31354	1.5
113.02432	2.7
113.03568	15.6
114.01992	2.3
115.08781	12.1
116.07198	2.2
118.06625	2.7
119.03513	1.7
120.61071	1.7
124.02747	4.8
125.07183	2.5
126.05606	5.2
129.10345	3.3
131.04662	2.2
137.09651	1.6
141.06686	6.2
142.70293	1.5
147.04517	20.8
151.08746	13.8
152.07170	33.2
153.06583	3.6
155.10773	15.3
157.06514	2.6
159.08266	1.9
164.07162	43.8
167.08260	2.8
169.09827	7.3
171.10277	10.3
186.12524	1.9
195.07715	8.7
199.06390	3.8
199.09721	6.2
200.07135	2.6
201.11333	1.7
213.08824	4.1
213.11436	2.0
217.10796	31.0
219.14977	2.0
245.12949	4.4
255.15070	2.0
256.08582	6.7
257.12909	1.9
258.13208	4.4
259.11853	3.0
263.13983	10.0
281.13000	3.3
285.08850	4.1
299.14023	12.8
317.11221	2.0
318.76395	1.7
334.17972	3.8
343.12973	100.0
344.13367	10.7
360.11084	2.6
360.15607	52.2
361.14981	5.9
378.16498	19.4
379.08282	3.3
379.15982	50.0
379.23450	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	378.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25964	0.3
58.76937	0.3
59.01392	0.4
61.98830	100.0
69.44909	1.6
218.05142	0.4
275.20139	0.4
293.21246	2.8
294.21625	1.1
305.21277	0.5
341.09189	0.5
378.18997	5.6
379.19376	0.7
382.19315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23532	0.7
56.54952	0.7
59.01377	1.8
63.39837	0.6
68.23270	0.6
69.17019	3.4
69.17425	1.5
71.02505	1.3
72.00920	3.6
73.04070	23.8
82.06631	2.5
83.02509	3.8
85.59260	0.8
85.59751	0.6
91.05537	8.5
98.21867	1.4
98.93990	0.7
103.05535	1.1
112.07677	1.2
117.06650	0.9
118.06635	1.2
129.10344	13.2
130.08734	28.4
131.05063	1.9
131.09100	1.1
139.08749	2.0
140.07188	3.1
141.10312	4.8
147.04524	16.9
148.04909	0.7
164.07162	44.6
165.07480	2.4
168.11401	6.6
169.09816	6.5
174.05632	0.8
186.12471	44.8
187.12790	2.4
203.08289	3.4
213.12521	3.8
216.13933	9.2
217.14241	0.9
219.64417	0.7
233.16551	11.1
234.16916	1.1
247.10866	3.1
258.87268	0.7
277.15628	2.5
290.18799	5.5
334.17728	34.1
335.18051	2.9
342.20181	1.2
342.23941	1.8
360.19302	0.8
378.20340	100.0
379.20645	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	379.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78586	5.1
57.03450	6.6
59.01374	58.8
61.98830	8.8
63.70909	5.3
71.01380	47.7
71.17992	5.0
72.99305	16.6
73.04074	6.4
74.02482	10.0
75.00858	22.4
78.47395	6.6
78.95900	65.3
83.01422	5.3
85.02945	15.8
87.00856	11.7
89.02451	28.8
96.96004	16.0
96.96956	100.0
99.00871	36.4
101.02437	17.5
105.01947	21.0
108.02065	7.6
111.00899	11.1
112.98811	37.7
113.02480	6.6
115.00368	7.3
117.00467	9.7
118.21530	4.8
118.96617	11.0
119.00182	36.8
119.03532	6.8
119.04991	6.5
129.01945	52.0
130.08748	67.9
131.02026	6.1
131.08174	5.4
132.98186	8.9
133.01740	70.8
142.99863	43.0
147.03279	6.7
150.04205	59.9
154.05096	5.5
160.97647	8.8
161.02388	17.5
172.97598	23.1
173.00911	19.8
174.99261	7.0
175.02490	6.7
179.05609	10.7
185.01230	7.2
200.05646	9.9
201.00720	5.4
202.98792	21.3
205.03474	19.6
217.00348	11.7
217.02991	15.4
220.99422	5.4
223.87775	5.5
229.11923	11.5
248.00967	13.6
250.18503	5.6
259.01321	56.1
259.12851	9.3
282.08417	42.9
286.97256	6.6
287.00699	7.6
316.16553	7.4
319.08313	18.9
341.11108	48.5
343.11047	8.5
349.15353	6.0
379.08432	45.8
379.20300	10.3
380.08377	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	379.158
Annotation	DMH-1
Peak:m/z	Relative Intensity
50.29477	0.3
52.11722	0.4
57.72060	0.4
69.39915	1.8
72.66920	0.3
84.93874	6.1
85.93894	0.4
96.95999	0.6
98.21914	0.8
99.92584	72.4
100.92610	4.2
100.93366	14.8
101.25095	0.3
101.93398	0.6
115.92077	23.1
116.92859	100.0
117.92877	5.1
117.93653	0.6
127.95775	0.4
142.94435	0.4
160.52966	0.4
203.18974	0.4
227.60814	0.5
255.23326	0.4
259.91214	0.4
279.23148	0.5
317.15707	0.9
335.16891	1.8
336.17444	0.4
343.39880	0.4
347.25723	0.5
361.14755	2.4
367.15479	0.7
375.12585	2.3
376.13025	0.6
379.15793	69.0
379.28500	3.6
380.16003	11.2
393.13864	3.2
394.13950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22249	0.3
55.53239	0.3
56.17507	0.3
59.01383	2.6
71.01377	1.0
71.44783	0.3
74.02467	0.3
83.05075	0.3
83.15145	0.3
83.27238	0.3
87.00832	0.3
89.02433	0.7
101.02419	0.4
103.67711	0.3
106.95445	0.3
118.90090	0.3
125.09738	0.9
127.11263	0.7
137.09727	1.6
139.64322	0.3
153.09154	1.0
155.10779	22.5
156.11096	0.8
171.10268	23.1
172.10626	1.2
199.09785	4.2
201.11325	0.5
213.11336	1.2
217.10802	100.0
218.11124	4.9
231.12381	0.4
239.46750	0.3
245.62439	0.3
259.11856	2.8
265.25320	0.3
270.06512	0.4
285.08789	2.0
317.11349	0.6
335.18094	0.5
342.60800	0.3
379.08374	0.8
379.16049	11.8
380.16544	0.8
389.24036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.74286	0.7
55.01865	1.4
55.52983	0.6
57.03451	1.7
58.00595	1.8
59.01379	100.0
60.01708	0.6
61.98824	2.9
69.03447	0.9
70.79025	0.7
71.01380	62.5
72.01727	0.8
72.99314	1.8
73.02944	16.6
73.04061	1.2
75.00890	0.6
83.01393	2.5
85.02949	9.2
87.00890	1.7
89.02444	100.0
90.02765	1.2
95.01389	2.6
97.02953	1.5
99.00879	21.1
99.01528	1.1
101.02446	37.4
107.95684	0.6
113.02455	17.6
115.04037	1.0
119.03508	19.9
125.02462	4.1
130.08699	4.0
131.03505	14.3
138.48930	0.6
143.03506	3.9
149.04553	46.8
150.04933	1.6
154.01431	1.6
155.10793	2.0
157.08713	0.7
161.04565	6.0
171.10367	1.4
179.05615	11.8
180.06650	0.8
185.16609	0.8
191.05614	10.1
192.05884	0.7
195.53029	0.6
217.10858	4.4
221.06622	2.0
226.07903	0.7
233.06625	1.8
242.18417	0.8
247.11891	5.2
251.07809	3.4
343.19876	3.1
379.16074	43.3
380.16959	4.9
380.22794	1.5
383.95282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1764
Annotation	2,3-Didehydrocinnzeylanone
Peak:m/z	Relative Intensity
53.07910	0.3
53.78955	0.3
57.03439	1.3
59.01369	1.5
61.98843	0.4
66.29505	0.3
69.03443	0.3
69.35409	1.7
73.47568	0.4
83.05015	1.5
85.02953	0.5
97.06597	1.7
123.08141	0.4
133.06535	0.5
135.08160	1.4
151.07649	1.2
171.10178	0.5
177.12715	0.4
189.12834	1.3
191.14372	1.4
211.13338	0.6
221.15433	0.7
229.14465	0.9
243.13760	0.7
243.17516	2.2
245.19025	0.9
255.17532	1.0
259.17004	1.5
261.18469	1.0
271.16943	2.7
273.18591	3.6
274.37985	0.4
289.18152	2.1
291.19684	0.8
299.16541	1.4
305.17587	1.5
317.17587	5.7
318.17941	0.9
333.17068	0.5
335.18579	2.7
343.21268	6.2
344.21683	0.8
361.16574	1.0
379.17593	100.0
380.17966	11.6
380.22379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01475	0.5
57.03455	1.2
59.01381	100.0
60.01706	1.1
61.98834	9.6
62.16673	0.5
63.99240	0.7
69.40157	1.8
69.40561	1.2
70.79542	0.5
71.01385	6.8
73.02962	1.4
82.77159	0.6
85.02966	2.3
87.00907	0.7
89.02450	9.1
101.02436	6.0
113.02449	4.2
118.06678	1.3
119.03499	3.3
130.08746	5.5
131.09148	0.8
135.04506	0.6
136.07669	1.0
137.06131	0.6
150.47009	0.6
161.04623	2.1
164.07149	0.7
166.08870	0.6
179.05679	2.6
179.07170	0.6
180.06662	2.8
181.05116	2.5
181.07104	1.1
181.08733	0.7
183.15005	0.7
186.12506	0.9
199.09834	1.3
199.18266	1.3
201.11383	0.9
209.11890	1.7
212.14766	0.7
217.10771	0.7
287.15094	1.2
300.19534	0.8
319.13165	0.6
319.17761	1.2
335.18259	1.4
342.23975	3.7
343.24176	4.4
344.21869	1.3
361.18854	1.9
379.07870	1.8
379.15381	0.5
379.19687	15.9
380.19434	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	379.1974
Annotation	JBIR-57
Peak:m/z	Relative Intensity
57.03455	1.3
59.01380	100.0
60.01700	0.8
61.98828	1.9
69.65850	2.6
71.01383	9.4
73.02942	2.4
73.04080	0.8
75.18002	0.7
83.01381	1.3
85.02950	2.3
89.02441	10.7
96.96026	1.1
98.22639	1.6
99.00904	1.0
101.02453	8.3
105.01954	1.9
113.02440	4.9
116.07267	0.7
119.03529	4.1
130.08746	4.8
131.09065	1.0
161.04567	2.1
179.05614	2.9
182.08093	1.0
183.81332	0.8
199.13518	1.1
201.11346	1.4
209.11830	1.9
233.10933	0.7
271.71552	0.8
319.17560	2.0
342.23981	2.3
343.24152	3.3
361.18640	1.5
379.19714	37.4
380.13409	0.7
380.19693	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	380.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
59.01368	2.9
61.98828	100.0
62.97431	1.2
71.01366	1.6
85.67725	0.9
96.95980	1.5
97.06564	1.2
97.89766	1.1
98.21846	1.9
110.59438	1.1
130.08684	1.6
192.09521	1.2
219.13899	3.1
246.30746	1.2
317.15997	1.2
380.24295	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19647	2.6
50.73819	2.7
54.17506	2.3
59.01363	8.1
59.96719	2.8
61.98823	7.0
74.99076	22.9
76.40894	2.8
91.02207	47.3
93.00118	11.3
93.11191	2.2
114.93526	2.9
159.08461	100.0
160.08516	3.3
161.06369	10.2
163.11194	4.9
168.71234	3.0
174.99406	2.6
217.00310	5.9
250.57527	2.7
259.77246	2.5
381.24286	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.0
59.96711	3.1
60.97508	1.1
61.98824	2.0
70.39669	2.2
74.99073	26.7
91.02210	46.3
92.02168	1.2
93.00137	17.0
93.50021	1.0
141.07402	1.2
143.05351	1.6
145.49974	0.9
159.08463	100.0
160.08676	4.5
161.06377	11.8
217.00249	2.3
365.10895	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13075	1.6
55.01871	4.6
57.03458	1.7
59.01376	38.1
61.98800	2.3
69.03432	1.8
71.01379	44.5
71.83202	1.6
73.02941	30.3
75.00879	1.8
83.01396	10.1
85.02940	27.2
87.00896	2.7
89.02440	11.2
95.01376	4.0
97.02924	2.0
97.62797	1.6
99.00887	10.4
101.02435	58.9
111.00836	2.0
113.02444	18.8
119.61833	1.5
122.77871	1.7
125.02424	4.3
131.03516	4.2
139.46832	1.7
140.43971	1.4
143.03474	3.3
153.91319	1.4
159.02971	4.8
161.04546	16.7
191.05644	1.7
193.13385	1.7
214.26280	1.7
217.00336	4.4
233.06674	2.5
249.13422	95.5
250.13823	5.9
346.08624	1.7
381.17639	100.0
382.17877	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13075	1.6
55.01871	4.6
57.03458	1.7
59.01376	38.1
61.98800	2.3
69.03432	1.8
71.01379	44.5
71.83202	1.6
73.02941	30.3
75.00879	1.8
83.01396	10.1
85.02940	27.2
87.00896	2.7
89.02440	11.2
95.01376	4.0
97.02924	2.0
97.62797	1.6
99.00887	10.4
101.02435	58.9
111.00836	2.0
113.02444	18.8
119.61833	1.5
122.77871	1.7
125.02424	4.3
131.03516	4.2
139.46832	1.7
140.43971	1.4
143.03474	3.3
153.91319	1.4
159.02971	4.8
161.04546	16.7
191.05644	1.7
193.13385	1.7
214.26280	1.7
217.00336	4.4
233.06674	2.5
249.13422	95.5
250.13823	5.9
346.08624	1.7
381.17639	100.0
382.17877	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30667	1.8
55.84037	2.2
56.15343	2.2
59.01364	4.5
59.88104	2.3
61.98825	21.5
69.57378	7.6
78.95902	9.4
107.56934	2.1
136.68459	2.1
138.06873	2.7
152.99577	13.7
199.13396	4.3
217.00212	5.8
228.61267	2.4
233.19032	2.2
277.18088	80.3
278.18518	5.5
279.19635	27.9
295.19147	100.0
296.19418	9.9
363.25391	17.0
381.26300	6.6
383.31778	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48558	0.4
59.01329	1.6
59.01604	0.5
61.98797	0.4
64.88448	0.3
66.67914	0.4
69.48515	0.6
69.48909	1.1
78.95890	2.1
82.91470	0.4
110.68276	0.4
111.08131	0.5
137.06073	0.7
138.06856	2.0
149.06041	0.7
151.07622	1.7
152.99602	3.0
164.08391	0.5
170.05832	2.6
174.99290	0.4
192.11546	0.7
199.13373	0.8
217.00266	1.6
217.15936	0.4
233.19080	1.8
235.20554	1.2
248.08023	0.4
249.18604	0.6
251.20129	2.4
261.18539	0.8
277.18069	79.0
278.18405	6.8
279.19644	23.2
280.20038	2.3
295.19131	100.0
296.19476	10.3
306.18665	0.6
325.99252	0.4
335.26169	0.4
345.24359	0.5
363.20840	0.9
363.25397	18.3
364.25745	2.3
381.21356	0.6
381.26443	5.9
382.26758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66253	0.3
69.12452	2.9
71.05019	0.6
138.06885	1.2
149.06032	0.4
149.38405	0.4
151.11296	0.7
153.12881	3.7
155.14313	0.7
163.11295	1.7
165.12843	4.2
166.13145	0.5
170.05818	2.1
179.09288	0.9
179.10767	11.5
180.11116	0.8
181.12343	35.6
182.12727	2.0
192.11583	0.8
195.10330	2.6
197.11801	2.8
199.13391	100.0
200.13747	5.8
215.12912	3.1
363.25394	4.9
381.11484	2.2
381.26456	5.1
382.26660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.9
69.35528	4.6
71.01386	1.2
75.00886	1.2
77.03962	2.2
85.02872	0.8
87.00893	0.9
95.05023	6.3
100.74396	0.9
101.77977	0.8
105.02800	0.6
105.03456	18.7
113.02440	1.6
119.05017	1.1
121.03001	1.1
123.04497	4.7
133.02953	100.0
134.03293	3.5
139.03905	1.1
147.04530	2.1
149.02457	2.3
151.04013	3.2
158.06113	6.5
160.04037	13.4
161.02457	1.1
163.04068	0.8
175.04019	1.9
177.01920	71.1
178.02260	4.0
179.03474	0.9
202.05103	2.2
206.36494	1.0
219.02838	0.8
230.97108	0.9
279.05188	1.0
313.89236	0.9
368.13440	0.9
382.11517	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	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74379	1.6
56.40145	1.5
59.01377	13.0
61.98826	2.1
64.59347	1.3
69.01554	1.6
70.61852	2.2
71.01373	7.6
73.02925	1.7
75.00871	22.5
85.02931	2.2
87.00867	15.4
89.02428	4.8
101.02441	7.1
113.02431	2.4
115.05527	5.2
116.05053	3.0
130.06636	10.8
132.04543	25.9
138.76607	1.6
139.11722	1.5
158.06100	100.0
159.06407	7.0
161.04553	1.9
174.05507	3.5
202.05081	45.2
203.05347	1.7
220.06059	8.8
223.93190	1.7
237.06165	7.1
249.06155	11.6
262.07117	2.2
382.11386	62.2
383.11694	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	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.4
59.55951	0.7
60.01694	0.9
61.98830	5.7
71.01074	0.8
71.01386	9.6
71.43922	0.8
73.02927	1.9
74.02454	1.5
74.69386	0.7
75.00871	20.7
76.65134	0.7
77.03958	0.9
83.01382	1.1
85.02925	3.2
87.00871	17.0
89.02445	5.7
101.02441	5.8
105.03440	4.2
113.02438	3.3
115.05547	6.8
116.05016	2.5
117.18579	1.0
119.03485	2.6
119.04978	2.0
121.03040	0.9
130.06625	9.1
132.04552	26.7
133.02028	1.4
133.02954	19.2
133.38933	0.9
134.03326	1.0
134.04704	1.1
144.04512	1.9
149.02467	1.0
151.03915	1.1
158.06105	100.0
159.06451	4.7
160.04042	5.3
161.04538	1.4
174.05531	4.0
175.04039	1.0
176.03564	1.1
177.01924	12.0
202.05093	42.0
203.05441	2.0
217.97595	1.0
220.06111	8.2
221.54369	0.9
232.50972	0.8
237.06149	8.6
238.06612	1.0
247.04286	0.8
249.06178	9.7
262.07150	1.1
323.17075	1.9
339.07367	0.9
344.09760	1.0
382.11353	65.0
383.11783	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	382.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98828	100.0
69.66164	0.4
69.66483	0.8
91.05541	0.9
93.44406	0.3
98.22533	0.6
100.56271	0.3
129.10323	2.8
140.88914	0.3
147.04550	1.0
154.08743	0.4
164.07135	2.4
171.11339	2.1
185.28978	0.3
230.55185	0.4
233.16573	2.2
301.59869	0.3
319.16620	10.4
320.16977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1715
Annotation	Artesunate
Peak:m/z	Relative Intensity
55.01873	4.3
57.03435	3.1
59.01379	77.8
60.01691	0.9
61.98820	2.9
69.53529	1.7
69.53914	1.7
71.01381	46.7
72.01727	1.2
72.99303	1.3
73.02946	14.3
75.00880	6.8
81.03447	0.8
81.51767	0.6
83.01374	7.8
83.05014	0.8
85.02951	19.9
86.00088	1.2
87.00864	3.2
89.02441	11.4
90.27784	0.8
95.01405	2.2
96.96002	2.2
99.00895	4.9
99.04482	0.8
101.02440	35.1
107.05012	1.1
111.00846	0.9
113.01699	1.2
113.02454	17.0
119.03471	2.0
121.06581	3.2
121.10212	1.3
123.04515	3.0
125.02486	1.2
125.06039	1.0
128.03522	1.1
129.01944	5.9
137.09724	40.5
138.10068	1.7
143.03458	1.1
145.10225	1.0
147.08171	3.5
149.09642	0.7
157.06660	0.7
159.02995	2.1
159.08151	1.1
161.04558	6.1
161.09741	1.8
163.07671	3.6
163.11284	65.2
164.11604	4.3
173.09650	1.1
175.11285	1.9
178.28860	0.7
187.07652	8.5
187.11278	0.8
188.08463	1.2
193.12340	1.0
201.09209	1.1
203.10780	100.0
204.11086	6.8
205.08772	0.7
205.29915	0.7
219.05054	2.2
221.11821	18.5
222.12125	2.0
256.53470	0.8
288.92868	0.7
323.17154	0.9
365.16086	20.9
366.16470	2.5
383.06870	2.1
383.17120	98.6
384.17441	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.7
59.01371	2.0
61.98802	0.2
63.52110	0.2
69.03447	0.3
69.45966	0.3
69.46298	1.1
71.01366	0.4
82.18066	0.3
83.04991	0.3
89.02447	0.5
91.04010	2.2
95.04984	0.9
97.02921	0.3
97.06583	1.7
106.04183	0.2
111.08141	0.7
113.09727	2.3
115.07684	1.3
125.06068	1.0
126.06916	1.3
127.07617	0.4
139.11308	0.5
141.09230	1.3
151.11256	0.6
153.12862	0.4
154.09982	0.3
163.11252	0.5
165.12843	3.6
167.10738	1.0
167.14406	1.9
175.11214	0.4
179.10678	0.3
181.12332	3.7
183.13857	1.3
193.12331	1.9
193.15924	0.6
195.13898	2.6
197.11841	0.5
208.65359	0.2
209.11771	0.3
211.13376	3.4
213.14906	0.6
217.15987	0.3
221.15456	2.3
222.15808	0.4
229.14464	0.5
239.12849	0.8
240.13681	1.3
241.14346	0.5
245.19110	0.3
247.20676	4.1
248.21034	0.5
255.15892	0.3
263.20218	0.6
265.21622	0.6
273.18582	2.9
274.18857	0.4
281.21213	1.4
291.19650	36.0
292.19992	3.9
309.20700	100.0
310.21057	10.1
310.24698	0.3
313.16650	0.4
314.17343	1.9
318.64020	0.2
383.24396	5.8
384.24680	0.7
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
54.94545	1.8
59.01386	5.2
59.31256	2.0
61.98822	6.0
70.16714	5.2
75.51239	2.0
79.43735	2.0
82.57571	2.2
98.22308	4.7
131.08453	1.9
146.84195	2.0
163.11308	5.8
164.11604	2.9
195.13870	2.3
207.15981	2.4
221.15424	2.3
247.20692	3.5
273.18619	3.2
291.19647	28.7
292.20044	2.6
309.20718	100.0
310.21057	8.4
310.24982	1.9
311.22250	6.8
383.23990	4.5
383.27942	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	384.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97763	1.9
59.01375	69.0
66.99652	2.1
70.47189	3.5
71.01379	46.1
85.02959	3.6
87.00861	3.2
89.02443	61.3
101.02437	23.3
111.00927	2.5
113.02438	17.7
119.03506	20.5
131.08273	13.8
143.03476	3.5
149.04526	3.0
161.00888	2.0
161.04561	7.1
163.90848	2.0
173.10435	12.4
178.00850	1.9
179.05609	24.9
193.98914	1.9
341.10864	100.0
342.11139	7.4
342.14853	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	384.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	79.0
71.01383	43.6
71.01740	4.4
71.02618	2.7
74.17589	2.7
78.87013	2.7
85.02954	9.7
85.20972	2.9
87.00876	8.1
89.02444	62.4
101.02436	23.1
111.00900	8.1
113.02444	16.7
119.03484	21.1
126.98889	4.8
131.03497	2.5
133.01379	5.1
138.25554	2.6
157.32047	2.3
161.04518	4.3
179.05589	29.3
191.02016	7.2
212.98672	3.7
341.10855	100.0
342.11533	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	384.13
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	25.1
63.30228	16.3
69.52766	19.3
70.96101	30.2
78.91699	20.5
101.77681	16.2
146.03763	24.7
164.04868	21.9
179.07126	45.5
217.55394	21.5
218.97478	40.7
219.60120	18.7
262.26068	20.4
384.02954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64112	4.7
59.01367	17.9
59.30813	4.5
69.95893	9.7
69.96234	6.3
71.01376	7.9
74.82079	4.4
86.94522	5.5
87.35366	4.1
89.02409	6.9
92.39693	4.1
94.50929	4.9
135.04523	4.9
136.27985	4.7
145.13844	5.7
146.03676	8.4
163.04012	100.0
164.04822	5.6
175.03987	4.4
176.04773	9.1
177.05557	14.8
179.07123	11.1
185.31512	4.7
205.05101	23.2
243.96735	4.7
310.26007	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	385.1138
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.79979	0.7
59.01377	10.0
59.14645	0.7
61.98820	1.0
71.01374	5.4
73.02911	0.8
73.04057	2.7
73.07867	0.7
74.02465	0.8
74.27242	0.8
78.95931	0.7
85.02953	2.0
88.04028	1.6
88.05001	0.6
89.02435	4.7
91.01859	0.7
93.03449	0.8
96.96008	1.5
98.02558	0.8
98.21857	1.5
99.96799	0.6
101.02431	1.8
103.05059	0.6
113.02439	2.7
114.05618	5.0
116.07164	0.8
119.01372	2.4
119.03500	1.4
121.02958	6.7
130.08707	1.8
133.02956	1.0
134.03690	1.2
135.04521	4.3
143.11879	0.8
145.02963	0.9
145.87749	0.8
146.98854	0.9
147.00867	1.6
149.02441	49.0
150.02747	2.2
152.01122	2.2
161.06056	3.2
163.03960	4.2
164.04797	47.1
165.01889	1.3
165.05112	2.4
169.05028	1.3
175.00354	12.7
178.06270	0.8
179.05638	1.4
179.07132	15.8
185.16759	0.7
187.82713	0.8
190.02705	29.9
191.03307	2.1
193.01385	12.2
194.01715	0.9
203.03445	0.9
205.05048	40.8
206.05574	3.4
208.01834	1.6
208.03766	27.3
209.04144	1.7
211.61154	0.7
217.01453	1.4
221.02458	1.2
221.08195	1.5
223.06099	100.0
224.06448	6.6
228.80736	0.8
232.03812	2.0
237.07640	1.1
247.06107	10.8
257.04657	0.7
265.07172	3.8
272.14346	0.7
305.91074	0.8
341.18301	1.2
377.61719	0.7
385.11679	5.7
385.20743	3.0
385.24969	2.8
386.11133	1.1
406.23383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03439	1.1
59.01380	35.7
69.49469	3.7
70.57566	0.8
71.01379	20.5
73.02942	3.1
83.01404	2.3
85.02949	7.4
88.87904	0.9
89.02443	12.7
91.01882	1.2
95.01338	1.4
99.00877	0.9
101.02437	9.8
109.06689	0.9
113.02448	9.4
119.01436	4.1
119.03477	4.7
123.08156	1.8
125.06068	1.6
138.06857	6.4
139.07614	1.8
147.00876	3.7
149.02408	4.5
151.07639	5.8
152.08441	12.3
153.09204	27.9
154.09561	1.6
161.04568	5.2
164.04802	6.9
175.00362	26.4
176.00662	1.7
179.05658	1.3
179.07007	1.8
190.02716	67.9
191.03073	4.3
205.05045	100.0
205.12286	9.9
206.05441	5.7
221.08168	2.4
223.06097	15.6
223.13301	5.3
247.06161	4.1
254.05324	1.1
262.71088	0.9
265.07135	4.8
295.08267	1.2
325.09314	2.4
362.57175	1.0
385.11417	5.7
385.18835	2.1
405.64697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.5
69.11990	2.8
71.01385	5.8
84.57195	0.4
85.02971	1.2
89.02437	4.4
91.01917	1.1
98.22615	0.9
101.02467	1.6
113.02468	1.5
119.01376	3.4
119.03501	1.2
121.02930	0.9
147.00874	4.1
149.02438	7.1
161.02391	0.7
163.04082	0.6
164.04752	6.5
175.00351	25.5
176.00723	0.8
177.05515	0.5
179.07111	2.4
189.01868	0.9
190.02705	65.9
191.03070	3.3
193.01395	1.1
205.05040	100.0
206.05428	5.9
208.03717	2.5
217.01489	0.9
221.08214	1.5
223.06097	21.8
224.06561	1.0
232.03760	0.8
243.67505	0.5
247.06123	6.0
248.06595	0.4
265.07053	3.1
295.08224	0.7
299.09753	0.5
325.09079	1.9
385.11328	6.4
386.11594	0.8
405.59229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
67.69115	0.7
71.01369	1.9
88.04028	0.9
88.33170	0.8
89.02431	1.7
93.03474	1.4
101.02378	0.9
116.92858	1.3
119.03471	0.7
121.02950	7.7
134.52988	0.7
135.04526	3.0
149.02441	41.1
150.02785	2.4
151.03978	0.9
152.01137	4.7
163.03983	5.7
163.12968	0.9
164.04793	36.0
165.01982	1.5
165.05090	2.1
167.03467	0.8
169.05107	1.7
175.00281	1.2
179.07126	10.9
184.06688	0.8
190.02708	3.2
193.01408	17.7
194.01746	0.8
205.05035	4.8
207.03357	0.9
208.03770	40.7
209.04060	2.9
223.06114	100.0
224.06427	7.2
257.09286	0.7
343.39069	0.8
385.11374	1.6
385.17032	0.8
385.23694	1.9
386.12549	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	385.1504
Annotation	Icariside H1
Peak:m/z	Relative Intensity
51.67381	1.3
57.03458	1.7
59.01380	53.0
60.01703	1.2
61.98821	1.5
70.88071	2.3
71.01381	25.5
73.02939	6.7
74.02460	1.3
75.00839	1.2
83.01403	1.4
85.02933	7.0
87.00882	1.4
89.02454	28.6
95.01385	3.1
101.02438	14.4
111.04529	2.2
113.02444	16.4
119.03515	8.7
120.05836	4.1
125.06097	2.4
129.63348	1.1
132.83257	1.2
133.10226	2.8
135.11800	17.9
141.66713	1.2
143.03554	2.9
144.07774	2.4
146.07368	3.4
150.10344	1.3
151.40868	1.2
159.08176	1.7
159.11784	2.9
161.04538	2.9
161.09709	36.0
162.02313	1.7
162.10059	1.8
177.12865	1.3
179.05646	2.9
179.10771	93.1
180.11096	5.0
190.02606	1.2
203.10744	9.5
205.08815	2.5
205.12335	5.5
210.00597	1.1
221.11897	3.8
223.09761	100.0
223.13373	5.3
224.10023	6.3
265.10785	5.0
300.41843	1.2
309.08902	2.4
325.12381	1.5
345.77151	1.2
385.14740	3.8
385.18832	2.3
385.22891	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	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03451	4.5
58.00584	1.5
58.43040	0.6
59.01379	77.5
60.01706	1.1
69.03457	1.2
71.01379	66.5
72.01729	0.8
72.99313	0.9
73.02942	13.6
73.99117	0.7
75.00859	0.9
83.01381	4.4
85.02949	20.2
85.08031	0.6
87.00873	2.6
87.04504	1.1
88.04040	1.0
89.02446	34.2
95.01381	5.1
95.05063	1.0
97.02962	5.1
97.06618	1.1
99.00876	5.3
101.02441	33.6
102.02797	0.9
105.07127	0.8
108.05825	2.5
109.02983	1.2
109.06591	2.6
111.04580	1.0
113.02451	25.5
113.03253	1.2
113.06078	2.7
119.01410	1.7
119.03503	11.3
122.03706	2.5
123.08170	3.8
125.02454	1.3
125.06101	6.7
129.01945	0.8
129.10335	0.8
131.03534	1.3
134.03743	1.1
135.08173	1.5
135.91823	0.6
136.05280	3.2
137.06020	1.5
138.06870	21.0
139.07668	8.2
143.03503	3.1
147.00854	1.6
147.08127	1.1
149.02492	4.3
149.04564	1.0
149.06021	0.9
151.07639	18.3
152.04802	2.4
152.08432	40.4
153.09212	100.0
154.09567	4.3
159.02982	4.2
161.04555	21.3
161.09747	0.7
163.11227	3.1
164.04831	3.9
165.09171	2.3
175.00366	13.0
179.05632	4.3
179.07098	1.4
189.09239	1.1
190.02711	35.2
190.09929	1.3
191.03174	2.0
205.05045	47.8
205.12326	31.8
206.05458	3.7
206.12703	2.5
223.06088	8.9
223.13368	16.1
223.65601	0.7
224.06491	0.8
224.13702	1.5
228.17009	0.8
232.03583	0.8
247.05997	3.3
265.07175	2.3
325.09366	1.2
326.09711	0.9
385.11273	2.5
385.18698	10.1
385.24387	3.4
386.18976	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	385.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98821	39.3
69.21558	46.6
69.21963	61.0
71.01383	74.1
98.21881	38.8
101.02457	20.9
113.02516	24.0
124.98575	16.9
130.08763	33.4
179.10858	24.0
179.81076	17.0
193.34804	17.5
223.09644	94.1
249.61391	18.1
255.06798	18.3
266.87561	19.1
385.16113	55.8
385.22095	39.2
385.26404	28.4
386.22406	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.01871	2.1
57.03446	3.8
58.00600	0.8
59.01376	72.9
60.01704	1.3
69.18663	3.3
71.01379	65.1
72.01720	1.3
72.99310	1.3
73.02943	12.9
76.34034	0.6
83.01382	6.1
83.05040	0.7
84.02168	0.8
85.02946	20.7
87.00883	1.6
87.05569	0.6
88.04031	1.8
89.02442	34.8
91.80140	0.7
95.01360	4.7
95.05039	1.1
97.02940	4.8
98.21879	1.5
99.00857	4.2
101.02436	32.6
105.07094	0.8
108.05802	3.1
109.06599	1.2
111.04485	1.4
111.08239	0.7
113.02448	24.5
113.06070	3.6
114.02771	0.7
119.01373	2.2
119.03499	12.8
120.03831	0.7
121.02994	0.6
122.03719	1.7
123.08166	3.2
125.02444	1.3
125.06083	5.3
130.08681	1.1
136.05296	2.6
137.06099	1.0
138.06862	18.9
139.07672	8.3
143.03462	3.8
147.08160	1.0
149.02441	2.5
151.07645	19.3
152.04793	2.6
152.08427	42.7
153.09206	100.0
154.09537	5.2
159.03004	3.2
161.04546	21.5
163.11264	2.5
164.04781	2.9
165.09250	2.2
167.07112	1.2
175.00368	9.9
176.00690	0.9
179.05576	3.0
179.06982	0.9
187.11281	0.8
190.02701	23.0
190.09929	1.8
205.05038	40.9
205.12320	29.7
206.05470	2.5
206.12723	1.6
223.06097	9.6
223.13364	17.3
224.13789	1.2
247.06094	2.7
265.07199	2.5
325.09286	2.3
374.62967	0.7
385.11230	2.8
385.18631	10.3
385.24451	3.5
386.18683	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88261	0.3
55.01880	2.5
57.03448	4.6
58.00606	0.7
59.01379	29.2
61.98800	0.4
62.82623	0.4
65.01467	0.3
69.03451	1.3
71.01381	48.8
72.01721	0.8
72.68510	0.4
72.99288	1.0
73.02945	15.9
74.03295	0.4
75.00864	1.1
81.03458	0.7
83.01386	5.4
83.05006	0.5
84.02154	0.5
85.02949	25.9
86.00114	0.5
86.36568	0.3
87.00875	13.2
88.01205	0.4
89.02444	17.1
95.01400	4.0
95.08690	0.9
97.02950	1.3
99.00877	5.1
99.04588	0.4
101.02443	29.4
102.02793	0.5
111.00877	1.1
113.02451	22.4
114.02734	0.4
114.05518	0.4
115.03961	0.4
119.03507	6.2
121.06592	10.2
122.06911	0.4
123.08151	0.8
125.02399	1.0
129.01939	2.0
130.08765	0.7
131.03511	0.9
137.09721	38.8
138.10072	2.1
143.03484	3.1
149.04552	0.6
149.06052	0.7
149.09750	1.9
159.02994	5.2
159.08125	0.4
161.04558	32.4
161.09717	1.7
162.04901	0.8
173.09744	2.4
175.11275	7.5
176.11615	0.6
177.09233	0.9
177.12819	5.0
179.05609	2.1
179.10747	2.6
185.09781	0.5
187.11255	7.5
188.08519	0.6
188.11655	0.6
189.09203	0.6
190.09995	0.5
201.09198	0.5
201.12985	0.5
203.10791	1.1
204.11533	13.4
205.12325	100.0
206.12662	6.2
213.32751	0.4
219.13878	0.5
223.09769	1.8
229.12308	4.9
235.08308	0.9
247.08156	0.9
247.13388	8.9
248.13695	0.8
259.13245	3.6
277.14429	4.4
367.17560	2.3
385.18472	0.6
386.25443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03454	4.7
58.00591	0.6
59.01378	29.4
61.98807	0.5
69.93032	0.5
71.01379	50.1
71.46902	0.6
72.01724	0.7
72.99298	0.5
73.02556	1.1
73.02946	14.9
75.00839	0.8
81.03452	0.9
83.01386	4.8
85.02947	23.1
86.03294	0.7
87.00874	12.8
89.02440	17.4
95.01389	3.4
95.08672	0.9
96.36642	0.6
97.02964	1.3
99.00867	5.7
101.02444	28.5
104.03497	0.5
110.29707	0.5
111.00864	1.2
113.02447	24.0
114.02803	0.6
119.03493	6.7
121.06585	9.2
123.08153	0.7
125.02480	0.7
129.01958	2.2
130.44537	0.5
137.09717	32.3
138.10043	1.8
143.03510	2.9
149.04523	0.8
149.09697	1.6
159.02977	4.4
161.04553	31.2
161.09712	1.5
162.04884	0.7
168.30594	0.5
169.51477	0.5
173.09683	2.3
175.11259	5.9
177.12819	4.5
179.05614	2.3
179.10771	4.2
187.11292	6.9
189.09129	1.1
189.12814	0.8
190.10039	0.8
191.10690	0.6
203.10828	1.5
204.11537	13.8
205.12320	100.0
206.12654	6.3
223.09741	1.7
229.12325	3.4
235.08179	0.9
243.25133	0.6
247.08159	0.8
247.13344	7.8
248.13637	1.4
259.13373	3.3
260.51239	0.5
277.14365	4.1
367.17621	2.1
385.18573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01368	3.9
63.06693	0.4
69.13722	1.7
69.14149	1.4
69.27277	0.5
71.01386	1.0
89.02451	1.5
91.04022	2.7
97.06590	0.5
99.08112	0.6
101.63383	0.5
121.02975	1.2
122.03735	1.7
125.02457	0.8
126.03165	0.8
136.05298	1.0
167.14417	3.3
193.15952	1.8
207.17517	1.3
223.20619	2.8
231.17462	1.0
233.15437	0.6
249.18597	6.4
250.18948	0.8
267.19641	100.0
268.19983	9.0
275.16528	12.2
276.16803	1.2
293.17581	67.1
294.17914	6.7
311.18610	11.9
312.18942	1.6
367.21237	7.7
368.21591	0.8
385.22293	70.4
386.22659	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98835	1.8
63.69231	1.3
69.40970	2.3
69.41367	4.8
93.44495	1.7
98.21967	3.2
112.25490	1.4
121.03001	3.5
167.14415	2.8
175.93965	1.6
183.13914	2.6
195.13885	10.4
232.41885	1.6
245.90353	1.8
279.78589	1.4
293.21130	11.4
311.22272	100.0
312.22635	9.2
313.06989	1.7
355.65326	1.5
409.59604	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05323	0.6
56.86357	0.6
59.01376	1.8
61.98822	0.8
64.62212	0.6
66.20831	0.5
66.71124	0.6
69.37782	2.9
91.04003	1.8
91.11838	0.5
115.07650	1.2
128.08424	1.0
151.24074	0.7
164.11974	0.7
165.12846	0.7
165.47983	0.5
167.14432	2.5
183.13875	1.8
186.89742	0.6
190.76608	0.6
195.13902	10.6
213.14996	1.0
242.15352	0.8
249.22330	1.5
275.20178	0.7
293.21207	9.8
294.21506	1.0
311.22275	100.0
312.22598	9.9
385.25626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97709	0.9
58.72199	0.8
59.01374	7.3
69.83958	1.2
69.84273	2.2
75.96658	0.8
83.06133	3.2
87.00867	4.6
90.31528	0.9
91.13419	0.9
108.05667	1.3
111.98845	1.0
114.05573	2.0
125.00948	1.3
126.00471	1.3
126.98879	2.1
129.99963	1.0
130.08740	70.9
131.08263	49.0
131.09087	2.1
132.01494	1.2
132.08617	3.4
141.01619	1.2
150.05208	4.2
153.99922	2.3
154.01093	1.4
156.07790	1.5
164.88171	0.9
168.99910	5.2
170.07913	0.9
170.58295	1.1
172.01013	11.9
173.10437	11.7
174.10757	3.8
178.04657	1.3
185.03082	1.3
188.07706	2.9
192.02585	1.8
194.07843	5.4
196.05774	20.8
197.06078	1.7
197.07816	4.0
210.07301	1.1
212.08833	3.5
214.05670	2.2
231.08356	2.7
238.06825	49.1
239.06914	4.4
241.06787	3.1
242.08813	1.8
243.08348	21.0
244.08479	1.8
252.12050	1.1
253.11536	1.3
254.13698	2.0
255.09494	34.4
256.09805	4.8
261.11963	1.8
263.10034	2.0
266.06448	5.9
273.10602	1.6
275.91739	0.9
279.13269	1.3
283.08966	11.2
283.11697	1.4
285.12973	1.1
291.13071	1.0
295.59055	1.0
302.15714	6.1
309.14182	100.0
310.14322	12.3
326.16815	85.7
327.16891	11.6
341.10794	2.1
344.17719	3.8
384.35861	1.0
386.19086	7.4
387.19318	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	387.101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.8
59.03382	1.6
61.98799	2.2
70.16603	1.5
70.75558	1.8
71.01389	4.9
74.02505	1.5
83.06149	6.0
86.94944	1.5
87.00877	50.1
89.02449	7.2
99.04517	2.8
101.02423	2.8
103.64893	2.0
111.00868	10.1
111.02005	1.9
119.03475	1.6
125.00958	10.3
126.98891	18.2
127.98989	1.7
128.03511	2.0
129.00446	2.9
130.08733	54.1
131.08250	43.1
131.09105	6.4
132.08595	4.9
143.03508	14.6
144.02998	2.1
150.05247	8.4
151.05382	2.4
154.01108	2.5
168.98489	3.0
168.99927	54.5
170.00047	4.1
172.00987	4.8
173.01117	2.3
173.10428	15.5
174.10793	2.0
178.04736	5.6
181.99484	2.4
191.01967	5.2
194.07851	26.6
195.07979	3.7
196.05769	63.3
197.05945	13.2
197.07597	2.4
198.05681	1.7
222.07388	3.7
235.15140	1.8
236.08932	7.6
238.06834	19.7
239.06944	16.0
240.06671	3.8
241.06766	21.7
242.06903	2.7
243.06126	3.3
243.08421	6.9
244.08463	6.0
245.08203	3.2
253.11548	6.8
255.09547	10.2
256.09772	15.8
257.09259	4.1
265.07721	3.6
266.06317	41.7
267.06403	7.3
283.08966	100.0
284.09140	12.4
300.95572	4.2
302.15707	2.2
303.15912	1.7
309.14194	31.8
310.14377	47.2
311.14041	11.6
325.09744	2.3
326.16788	25.9
327.17059	44.2
328.16751	7.1
341.10855	12.3
343.11023	4.9
366.83893	1.6
369.08884	7.4
386.18979	2.3
387.10214	9.7
387.18839	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	387.1086
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
58.29410	1.0
59.01375	11.3
62.46748	1.0
69.22837	6.0
71.01382	4.5
73.02941	1.4
74.75587	1.0
85.02967	1.5
88.13113	1.1
89.02447	4.7
101.02422	2.3
106.91247	1.0
113.02441	2.0
119.03513	1.2
127.05090	1.4
130.08743	2.5
133.02966	8.9
134.03760	16.8
137.02467	2.7
138.37170	0.9
150.87128	1.0
151.03662	1.0
161.02461	12.9
164.07144	1.2
178.02771	1.8
181.12367	3.9
193.05052	100.0
194.05423	4.7
225.05591	8.2
225.11279	7.1
257.09348	1.2
321.43701	1.2
369.22775	1.3
381.17447	1.1
387.24048	7.8
388.18857	5.3
388.23361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33558	1.3
55.91801	1.1
59.01377	79.6
69.53449	2.0
71.01378	41.5
72.99309	1.4
76.94473	1.4
85.02929	6.5
87.00859	2.3
89.02447	60.2
90.02838	1.4
95.01344	1.8
98.22608	2.7
101.02450	18.9
113.02444	16.2
119.03509	22.3
128.03502	1.6
131.03546	1.4
143.03447	2.9
149.04541	2.5
152.28342	1.4
161.04593	6.0
169.19305	1.2
179.05623	23.8
341.10876	100.0
342.11279	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	387.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.58784	10.2
60.91871	10.9
61.98825	37.6
69.06694	78.0
71.87403	11.5
73.04097	16.8
74.02480	39.8
75.80247	9.6
79.75114	11.0
81.76122	12.4
100.73129	12.3
129.10332	12.7
132.52852	11.7
146.03740	30.7
147.72041	11.4
161.06090	20.3
164.04781	21.5
170.07970	12.1
179.07114	80.0
225.08089	11.5
282.28717	14.2
327.59961	12.4
343.19949	29.6
387.22525	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1916
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
59.01376	12.2
61.98827	27.8
63.97382	2.0
65.86164	2.1
66.03880	2.2
69.48544	10.1
75.00865	6.9
76.28805	2.0
78.64230	1.8
88.95721	2.0
91.27039	2.0
99.08146	6.5
99.44112	2.3
121.74537	1.8
125.09695	2.1
127.11286	2.3
155.14526	3.0
160.84250	2.8
165.12912	5.1
171.10201	5.3
183.13911	6.1
193.08429	3.2
209.11823	3.9
211.13408	45.0
212.13802	2.4
221.11588	3.8
229.14389	24.4
230.14806	2.7
233.11601	26.7
241.73820	2.4
249.11214	3.9
251.12656	8.8
329.23294	76.0
330.23743	7.6
336.17816	2.4
351.21481	22.0
387.19177	100.0
387.23227	3.7
388.19498	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54495	0.3
55.01874	2.0
55.60448	0.2
57.03448	2.9
58.00597	0.8
59.01378	65.4
60.01716	0.5
61.98845	0.3
69.03446	0.4
69.78377	0.4
69.78730	0.5
71.01380	38.7
71.05032	0.3
72.01729	0.5
72.99316	1.1
73.02945	7.3
73.04066	0.7
75.00897	0.4
83.00877	0.2
83.01380	4.4
85.02951	12.7
87.00867	1.8
87.04464	0.2
88.04034	1.0
89.02442	29.4
90.02733	0.4
90.42550	0.2
94.12136	0.2
95.01385	3.4
96.99332	0.2
97.02943	0.5
99.00874	2.0
101.02440	29.0
102.02776	0.5
103.05142	0.6
109.06586	0.2
111.00896	0.5
113.02450	15.5
114.02773	0.4
119.03501	12.7
121.02944	0.4
123.08138	0.6
125.02473	0.5
128.03517	0.7
129.01907	0.4
130.06265	0.3
130.08736	2.4
131.03532	1.1
134.03683	0.2
137.09717	1.3
143.03502	1.3
143.04944	0.3
143.11823	0.3
149.02609	0.3
149.04517	0.7
151.03954	0.3
151.07652	0.6
151.11278	0.6
152.08461	1.1
153.12868	1.1
159.03015	1.3
161.04546	4.3
163.04071	0.2
163.11293	0.3
169.09880	0.3
179.05560	1.8
179.14499	0.2
181.12383	0.8
188.71857	0.2
195.13878	1.0
197.15437	1.6
199.18134	0.4
207.13908	1.8
225.14946	14.1
226.15311	0.8
256.20276	0.6
281.08923	0.3
295.05869	0.4
297.17026	0.2
311.10367	0.3
335.47647	0.2
357.21341	0.6
373.27078	0.2
386.21643	0.2
387.10617	2.7
387.20172	100.0
388.11942	0.4
388.20538	11.3
388.26212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01877	7.5
57.03446	7.0
58.00595	1.3
59.01379	85.1
60.01723	0.9
61.98829	0.7
69.03462	1.5
69.90409	0.9
71.01379	100.0
72.01717	1.9
72.99310	1.9
73.02944	35.2
74.02487	0.4
74.03301	1.1
75.00880	1.7
81.03474	0.7
82.02969	0.8
83.01385	18.2
83.05038	0.7
83.53132	0.3
84.01704	0.5
84.02164	0.7
85.02948	47.2
86.03307	0.9
87.00877	7.2
87.01385	0.7
87.04519	0.5
89.02443	31.5
90.02774	0.6
95.01384	7.7
95.72157	0.4
97.02938	3.0
97.04086	1.2
97.06577	0.5
99.00883	10.2
99.04542	0.4
101.02441	87.8
102.02782	2.2
111.00872	1.0
113.02448	41.7
114.02788	1.1
115.04021	0.5
119.03507	9.9
119.05030	1.5
121.02971	1.0
123.08192	0.9
125.02451	1.7
126.02778	0.4
129.01936	2.0
130.08730	1.3
131.03476	1.6
134.03743	0.9
137.09735	2.4
140.92422	0.4
143.03488	5.9
149.02457	0.9
149.04515	0.6
149.09715	0.7
150.03180	0.4
151.11269	1.9
159.02985	10.6
161.04555	54.2
162.04869	1.9
163.04036	1.0
164.04726	0.5
165.05527	0.5
165.12886	1.6
166.51663	0.4
167.12000	0.7
167.14392	1.8
179.05598	3.3
183.11617	0.4
189.12819	1.2
195.13898	2.1
205.03522	0.6
205.12297	0.8
205.76903	0.4
207.13918	1.0
223.13484	0.4
225.14957	43.0
226.15306	3.5
228.60722	0.4
267.06625	0.5
269.08170	0.6
271.12918	0.5
295.06024	0.6
297.16940	2.5
299.12384	0.4
343.11642	1.4
387.11334	4.4
387.20184	54.5
388.20465	6.5
388.27298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2248
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
51.08845	1.0
55.01875	2.5
55.23055	1.1
57.03451	3.0
59.01380	100.0
60.28449	1.2
61.98821	5.0
70.51611	1.6
71.01382	57.8
72.00911	3.0
72.99308	1.4
73.02951	9.8
73.04066	41.1
74.02476	50.8
75.00894	1.3
82.06629	3.3
83.01399	4.5
85.02957	20.8
85.04070	1.9
86.02484	4.7
87.00873	2.9
87.05626	1.3
89.02444	51.1
95.01392	4.3
96.96956	1.4
97.02965	2.1
99.00859	3.0
99.05621	2.3
101.02444	49.0
102.02721	1.3
103.05162	6.3
104.03534	21.2
109.03018	1.4
112.02800	2.7
113.02446	27.0
113.03632	1.7
114.05655	1.4
119.03506	25.6
119.05041	4.7
121.02923	2.1
126.09249	1.4
128.03532	1.6
129.01892	1.5
129.10344	8.1
130.08708	5.9
131.03477	1.6
139.08778	3.9
140.07137	2.3
141.10278	2.3
143.03493	4.9
143.04836	1.7
143.11900	20.2
149.04500	1.4
150.03113	1.3
151.08784	1.2
153.10315	2.2
155.11911	19.3
159.03032	2.0
161.02438	1.3
161.04575	16.4
163.04034	1.8
163.11365	1.3
164.04784	1.5
164.14447	1.9
169.09845	10.3
179.05634	5.7
182.15451	1.3
186.12421	11.6
187.10925	5.9
189.05545	1.3
189.12869	2.8
191.07230	1.4
195.13826	2.8
197.16685	3.1
199.18179	2.1
200.14137	2.7
208.13467	6.8
210.45117	1.2
225.07706	1.7
225.11401	1.6
225.14903	2.1
225.16185	1.8
225.51161	1.3
242.18829	1.6
256.20285	22.5
257.20554	2.4
266.05927	1.6
268.20319	7.7
281.08279	2.2
282.18527	1.7
286.21237	1.4
295.06235	2.2
300.19318	7.6
300.58224	1.3
313.22446	4.9
325.22412	12.6
352.14981	1.7
357.21396	40.4
358.21637	1.9
369.21429	4.6
387.11298	12.6
387.22842	83.9
388.11401	1.8
388.22607	8.7
388.27173	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	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29265	29.7
52.62480	31.0
59.01366	80.9
61.61031	29.1
61.98832	60.5
68.53028	33.3
69.94891	100.0
84.79945	34.8
86.75726	36.4
162.20456	32.6
164.62587	40.1
401.85342	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	100.0
61.98821	61.6
65.06116	22.3
67.30328	27.3
68.91537	22.3
70.64573	42.3
88.27132	26.0
99.28695	25.5
103.01501	30.2
110.36059	28.7
141.01682	40.8
151.45802	29.2
195.33661	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63170	0.3
61.98831	100.0
62.98523	0.3
65.10836	0.3
66.95487	0.2
69.49132	1.3
89.07800	0.3
123.66596	0.3
140.02585	0.3
145.02959	0.3
146.39357	0.3
388.17267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01130	0.8
59.01378	12.7
61.98828	100.0
69.14350	1.5
69.14766	3.4
71.01378	5.5
71.02481	0.7
73.04069	2.1
74.02475	4.1
77.59432	0.8
78.81925	0.7
87.00924	0.8
88.04030	7.4
89.02444	5.2
91.65619	0.7
98.21867	1.8
101.02422	2.9
104.03554	0.8
113.02425	2.0
113.03538	1.0
115.08828	1.5
119.03484	2.3
128.03502	4.1
129.10367	0.9
130.08727	3.5
133.02942	1.4
143.11877	1.0
145.02966	1.9
155.11841	0.9
157.13463	1.0
167.06996	0.8
171.07677	0.9
201.12369	1.6
208.06978	1.0
333.02493	0.8
343.19815	1.6
344.14572	1.1
363.45105	0.8
370.15900	1.7
387.22537	2.4
387.28491	2.4
388.08878	1.0
388.16827	2.6
388.23138	1.6
389.18518	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07565	0.5
58.63492	0.4
59.01375	0.5
61.79330	0.5
61.98829	100.0
65.12103	0.4
69.63184	1.8
72.53426	0.4
74.48134	0.4
75.55155	0.3
78.23504	0.4
78.79283	0.5
96.85596	0.4
113.59663	0.4
185.38567	0.4
231.23734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.099
Annotation	Dopaxanthin
Peak:m/z	Relative Intensity
59.01375	6.1
61.98841	2.4
65.99850	2.4
66.27533	1.8
69.10612	9.3
89.02453	1.8
114.37824	2.0
114.64994	1.8
117.72658	1.6
141.25441	1.9
162.01964	8.2
162.05594	1.9
183.06856	2.8
184.07887	2.0
187.01404	2.0
196.07860	2.0
198.09264	5.4
211.06430	5.5
212.03651	3.1
212.05634	2.2
213.06731	2.4
214.03867	6.7
214.07294	3.0
215.04616	3.6
222.04041	3.9
223.05188	2.2
224.07387	3.6
225.06668	2.4
226.09064	8.8
227.04405	3.3
227.08311	7.9
228.05344	2.7
229.06146	13.7
229.09848	3.7
230.06895	3.2
236.05931	2.1
239.04530	3.9
239.08148	3.6
241.06207	2.9
241.09805	7.4
242.03339	8.4
242.08479	3.7
243.04207	5.0
243.07712	3.6
251.04686	2.8
251.08325	2.3
252.05252	3.8
253.06142	3.1
254.06943	11.7
255.04190	6.4
256.04880	10.6
257.05664	18.2
257.09311	12.2
258.06110	3.6
266.06863	3.2
267.07764	9.7
269.09341	29.7
270.06415	16.2
270.09518	3.3
271.07315	5.5
273.05377	2.2
275.06699	4.1
279.04193	4.6
280.04883	17.6
283.03680	12.4
285.08798	34.6
286.09485	10.9
295.07257	54.9
296.07642	4.6
298.05978	15.6
301.11984	3.4
302.05704	2.7
302.09140	2.3
313.08270	28.8
316.06952	7.3
317.07632	7.0
317.11267	2.3
327.09860	16.4
329.07718	2.1
330.08658	3.1
339.06097	3.8
345.10901	100.0
346.11328	9.8
371.08832	18.2
389.09879	29.8
390.10419	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	389.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63276	1.7
55.49655	1.8
59.01368	3.6
61.98836	15.5
70.86546	1.8
72.05300	1.5
73.21919	1.6
89.68540	1.8
109.02964	5.0
115.56227	1.6
123.04490	1.9
134.03677	2.0
137.02452	100.0
138.02763	4.2
142.01987	1.7
148.96747	1.7
150.03284	1.8
159.04521	3.7
163.04004	1.7
165.05618	2.0
206.61940	1.6
286.14609	1.7
325.41714	1.8
329.10297	64.1
330.10571	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1242
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
53.83675	0.9
54.09748	1.1
59.01374	3.7
61.98830	3.2
69.42711	4.8
76.38928	1.0
84.63258	0.9
111.26268	1.2
121.02957	1.8
123.02356	1.1
143.05029	6.5
150.63107	1.0
156.13345	1.0
156.73444	1.0
157.91116	1.0
159.08118	1.7
181.06723	2.1
182.07309	1.5
183.04501	1.5
183.08038	1.6
185.06041	10.9
195.23624	1.2
197.06015	1.5
209.04680	1.6
225.05579	17.7
226.06256	2.8
227.07123	100.0
228.07436	9.6
238.25409	1.3
389.12384	4.8
389.17688	1.2
404.26242	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.10023	0.1
54.34876	0.2
57.03428	0.7
58.00581	0.2
59.01377	6.2
60.32044	0.2
61.98828	0.3
69.03461	0.2
69.13374	1.1
71.01379	3.1
71.05004	0.2
73.02939	0.7
75.00887	0.3
79.90805	0.1
80.63729	0.2
83.01393	0.3
83.05026	0.4
83.13733	0.2
85.02946	1.5
87.00857	0.2
89.02444	2.2
90.21868	0.2
95.01379	0.5
97.06577	0.4
98.22651	0.3
101.02454	1.9
111.08146	1.1
113.02448	2.8
119.03500	0.6
130.08740	0.2
143.03444	0.4
161.04550	0.8
165.12839	21.0
166.13181	1.2
167.14417	0.4
179.05591	0.5
181.12315	0.2
183.13890	73.5
184.14223	4.3
189.12987	0.2
191.10786	0.4
195.13914	0.3
197.08176	0.3
197.15457	1.7
207.13904	1.4
209.11823	2.3
225.14969	1.4
227.12880	100.0
228.13205	6.2
241.14380	0.2
251.12862	2.8
252.13347	0.2
269.13965	1.9
293.13895	0.4
329.16006	0.5
389.18076	2.9
389.25555	1.2
390.18777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18480	25.0
61.98820	100.0
70.36918	25.2
70.37241	35.2
81.03032	27.8
89.09746	25.1
111.20595	22.1
116.92850	52.7
146.96596	31.9
218.86681	40.2
249.36475	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	389.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62498	41.6
61.98808	100.0
63.45732	36.7
70.93417	40.3
96.96052	37.7
169.36774	39.9
199.10281	39.3
236.04993	39.3
376.56094	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16972	48.1
50.49424	41.5
61.98818	81.5
65.33106	48.6
69.75507	84.0
69.75859	100.0
76.79398	44.4
78.01070	42.9
85.69440	50.7
238.33868	53.9
246.23602	51.2
367.19681	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65751	4.0
59.01375	100.0
61.98829	5.5
71.32542	3.4
71.40609	3.7
82.64528	4.5
84.79749	4.1
86.22376	3.7
98.19654	3.7
108.01099	3.5
121.94401	4.0
135.44363	3.6
178.23055	4.5
236.56693	3.6
243.43353	3.5
272.37109	3.9
314.46188	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	390.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98831	100.0
69.52045	0.7
69.52455	1.1
360.55829	0.4
409.40744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03720	0.3
59.01358	1.5
61.98830	100.0
67.10466	0.3
69.46333	0.3
69.75379	1.1
79.61273	0.3
82.38567	0.3
98.22561	0.5
193.05182	0.3
209.11800	0.3
209.58032	0.3
217.00345	0.8
277.19907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98830	100.0
64.38383	0.9
69.04727	1.0
71.47258	0.9
86.80128	1.0
95.23504	1.0
96.96031	1.4
106.03001	0.9
116.13139	0.9
196.13408	1.0
202.68872	0.8
351.96008	0.9
359.21643	0.8
360.58871	0.8
364.80658	0.9
391.59998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53627	6.7
55.37169	5.9
59.01384	11.7
61.98830	100.0
70.76788	9.0
84.59653	6.7
162.26141	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88506	0.5
56.88291	0.6
58.96549	0.6
59.01384	0.8
61.98828	100.0
62.67916	0.6
63.99237	0.7
66.26102	0.5
70.61630	0.8
78.95906	2.9
138.63400	0.5
147.47845	0.5
196.89673	0.6
327.21735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44020	0.3
55.95145	0.4
61.98828	100.0
63.99249	0.4
69.17438	2.0
70.09859	0.3
78.95911	1.5
88.51933	0.3
131.66580	0.3
160.74889	0.4
187.68182	0.4
197.11784	0.4
225.37593	0.3
327.21594	1.7
348.51111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23261	0.9
57.03432	1.3
59.01377	28.9
61.98804	3.5
69.17617	5.5
71.01383	13.0
71.02475	1.4
72.00881	3.9
73.02954	5.1
74.41008	0.8
75.00849	1.2
78.90614	0.8
82.06606	3.5
83.01347	1.4
84.08155	1.2
85.02947	4.5
89.02007	0.9
89.02445	9.0
91.05512	1.5
99.00847	1.7
101.02430	9.0
109.33237	0.9
113.02441	5.3
118.06612	1.0
119.03466	3.0
125.02525	0.8
127.05091	1.3
129.10341	40.0
130.08737	83.1
131.05022	5.3
131.09039	2.4
139.08792	8.3
147.04530	5.3
161.04495	3.3
163.29581	0.9
164.07161	15.3
169.09732	1.3
176.82181	1.1
197.16537	1.2
216.12015	1.1
216.13937	17.2
217.14253	1.4
223.10765	2.1
225.16025	3.7
229.09727	1.4
233.16547	1.6
242.18704	8.7
259.11880	1.3
259.14468	13.8
260.12875	1.3
277.15430	1.8
313.22928	0.9
331.17429	2.5
346.24695	2.3
354.20352	10.5
372.24750	1.7
390.23877	100.0
391.18835	1.7
391.23187	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	391.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.3
61.98827	2.3
68.45784	2.4
69.21434	2.2
69.64014	9.5
73.88988	2.1
75.00874	27.5
78.95910	4.8
90.48586	2.2
93.03480	6.6
95.05029	23.8
96.95992	2.2
96.96978	8.7
97.93136	2.2
114.93392	3.3
120.05717	2.6
138.83148	2.2
156.11632	2.3
161.17320	2.1
181.57448	2.4
190.04065	2.4
195.13902	8.9
205.15959	2.3
223.13457	7.1
251.02420	4.0
265.04019	9.0
275.20193	4.3
279.05515	5.9
293.21222	100.0
294.08572	3.8
294.21564	12.6
310.27530	2.3
354.05768	4.4
354.09937	55.6
355.10358	3.5
375.17563	2.8
391.18112	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	391.1981
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
51.75348	0.8
57.03450	18.4
58.42479	0.9
59.01379	100.0
60.01713	1.3
61.98823	5.7
67.33456	1.0
69.17984	5.2
70.02956	0.8
71.01376	21.5
71.02496	1.1
72.00906	1.9
73.02934	2.9
73.04067	15.3
75.00895	1.2
80.18170	1.1
83.01404	1.3
85.02950	4.3
87.00883	1.3
89.02444	24.2
91.05527	3.3
96.00906	1.7
96.96006	2.1
98.02441	1.3
98.21908	1.9
99.04514	11.9
101.02447	17.6
102.02760	1.0
106.06619	13.0
113.02466	9.5
113.03532	3.7
119.03490	11.2
120.99632	1.1
125.02449	3.5
129.10368	5.5
130.06253	4.6
130.08745	6.9
131.04741	0.9
141.10329	1.9
143.03508	2.1
147.04524	7.5
150.03156	1.1
150.05623	9.7
151.03998	3.2
151.08743	2.2
152.07178	1.4
155.08287	1.5
161.04565	2.9
164.07152	20.8
167.08174	1.3
168.06584	1.4
168.11475	4.5
169.09816	1.4
179.05594	4.3
186.05623	1.2
186.12479	6.6
193.01398	1.1
194.04628	1.9
195.02960	4.0
211.13443	2.8
225.13507	11.2
226.11966	1.5
229.14412	10.7
233.16516	5.3
243.14505	1.1
247.11861	1.9
277.15466	2.1
290.18735	1.6
331.17676	1.6
347.20810	2.8
356.09912	7.9
356.21027	1.3
356.25598	3.4
357.14453	4.8
374.17154	4.0
391.19812	76.9
391.27325	2.1
392.20261	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
59.01377	100.0
60.01700	1.5
61.98820	1.3
63.71393	0.3
67.54951	0.3
69.16349	0.3
69.31213	1.6
71.01387	4.2
73.02941	0.7
73.04070	0.3
73.29012	0.3
73.46395	0.3
74.02446	0.3
75.71197	0.3
83.01379	0.5
85.02948	1.1
89.02438	6.0
101.02442	3.0
105.58389	0.3
113.02464	2.1
119.03498	3.6
130.08752	0.5
131.03517	0.4
133.36423	0.3
143.03490	0.7
161.04489	1.4
169.72839	0.3
179.05617	1.8
229.10834	0.7
260.56088	0.3
295.63293	0.3
331.17603	1.4
391.19943	2.2
392.22034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98676	0.4
52.98942	0.3
57.03445	0.3
59.01379	3.5
61.98823	0.8
69.30408	0.9
69.30827	1.4
71.01379	1.8
84.78249	0.4
85.02940	0.7
89.02451	1.0
98.21776	0.7
101.02423	1.0
113.02441	1.8
161.04639	0.4
165.12845	0.7
167.14412	17.3
168.14751	1.0
185.15422	0.8
209.15494	1.2
211.13405	28.2
212.13788	1.9
229.14439	100.0
230.14819	6.0
243.16054	2.1
253.14455	2.2
257.77856	0.4
271.15521	1.6
331.37756	0.4
333.26682	0.4
391.19836	3.1
391.27112	1.0
392.28003	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	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46123	4.4
59.01380	21.8
61.98831	12.9
72.81810	5.4
80.26679	5.7
82.17696	5.0
93.35101	5.3
99.92619	5.1
113.03172	5.1
161.00491	7.7
170.82793	5.5
195.13942	12.2
221.15468	10.9
245.11572	100.0
251.16646	5.5
283.46179	5.7
285.55969	5.3
287.25208	6.3
291.19797	14.1
309.20706	56.8
310.21390	7.3
331.18866	13.0
344.44559	6.3
358.46130	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68161	39.1
56.81678	39.9
59.01374	100.0
59.64275	39.1
61.95741	41.9
61.98825	66.6
63.70634	40.8
71.13241	72.4
84.38644	38.1
89.08476	43.3
106.64162	38.0
116.92864	75.7
154.49397	39.9
262.05826	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73150	48.1
59.01385	100.0
80.96513	95.5
96.37675	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70989	0.9
59.01369	2.7
61.98828	100.0
70.69484	2.0
71.03336	1.0
83.10545	1.0
96.96021	1.8
107.86875	1.0
115.77424	0.9
123.04505	5.1
167.03488	25.7
168.03816	1.1
191.03471	7.5
209.04497	1.3
209.93135	0.9
221.04752	1.1
222.81050	1.1
228.07414	1.1
261.35611	0.9
329.08765	11.3
330.09229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
61.98827	100.0
75.82914	0.4
89.02457	0.4
106.06626	0.8
109.01665	0.5
110.99801	0.4
123.74791	0.4
134.04297	0.4
150.05609	0.7
151.14104	0.4
164.07193	0.5
166.08727	0.8
194.04659	0.5
278.39429	0.4
283.89679	0.4
306.49200	0.4
356.09882	0.6
357.14676	0.9
374.17273	0.8
392.19870	0.7
395.08292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46366	0.4
55.83274	0.4
59.01359	0.6
61.98828	100.0
65.96925	0.4
71.43370	0.7
75.86652	0.4
165.05553	1.1
378.92270	0.5
413.84427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58625	1.5
66.03469	3.4
66.37973	1.6
69.85954	3.1
69.86298	3.1
75.96803	1.4
82.02975	9.2
98.21909	2.2
100.04041	2.1
110.02473	36.1
111.01994	6.8
122.02513	2.6
131.08252	5.4
140.03535	3.9
144.48807	1.5
148.04381	73.6
152.03568	8.1
153.03043	1.8
173.10435	4.8
180.06729	2.8
200.05614	19.1
243.06186	100.0
244.06415	3.4
272.96600	1.8
287.08398	1.4
288.39349	1.6
299.15350	1.6
310.66977	1.5
393.15094	3.0
400.15042	1.5
405.21182	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	392.1617
Annotation	6-methoxyspirotryprostatin B
Peak:m/z	Relative Intensity
51.62535	1.1
58.02972	3.8
59.01364	3.1
61.98822	4.0
69.47604	4.3
70.02971	2.7
72.00913	6.6
73.04070	62.8
91.05539	9.5
97.04076	16.8
98.02448	3.4
104.52238	0.8
105.72944	0.9
115.05137	100.0
115.37042	0.8
116.05032	14.1
119.90643	0.9
122.03729	1.8
127.05157	1.1
142.06624	7.7
142.83186	1.1
147.04536	23.4
148.04880	1.2
164.07169	50.9
165.07523	2.0
177.10329	14.4
185.07237	3.3
197.07259	1.7
219.11383	7.0
219.13815	2.6
232.09738	1.0
235.13445	1.6
244.10898	4.2
263.10382	24.8
264.10776	2.6
289.13562	5.8
289.16672	0.9
306.16040	1.1
348.17163	6.2
350.14859	1.7
374.27139	1.6
392.16168	98.3
392.27783	17.4
393.16605	12.4
393.21951	1.4
393.27957	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	392.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17770	0.9
53.44484	0.8
59.01382	15.4
66.03488	1.5
68.97688	0.8
70.02985	4.9
71.01399	5.6
71.30095	0.8
73.02953	2.0
81.02192	6.3
81.04591	1.0
82.02986	2.0
82.06622	7.2
84.08192	2.0
85.02956	1.1
87.05638	2.9
88.98827	2.2
89.02447	4.5
91.05509	1.8
96.00914	46.8
96.96028	1.9
98.02473	32.6
101.02462	4.1
101.86732	0.8
109.01686	1.8
113.02428	1.3
113.03567	28.2
114.01969	1.4
114.03982	1.0
116.04283	0.9
116.05060	1.9
118.06628	2.3
119.03513	1.7
129.10356	5.0
130.08736	85.9
131.05049	7.9
131.09088	2.3
138.09244	14.1
139.08707	1.5
141.10313	1.0
147.04584	1.3
150.03275	0.9
157.07735	1.2
161.03561	3.4
161.04720	1.0
163.08827	1.3
164.07127	1.1
165.10316	1.6
166.08755	3.3
168.09036	2.0
172.07692	1.0
173.10838	1.3
174.05623	3.3
177.10332	1.1
179.05656	2.0
186.05788	0.8
188.14590	1.1
195.15001	1.6
197.16582	1.2
199.18185	9.3
200.07162	14.7
201.07579	1.3
204.09053	3.9
212.09541	0.9
216.13904	11.8
217.09851	2.1
222.10092	0.8
225.16151	6.2
239.16153	0.8
243.07735	1.1
259.14474	6.9
260.12863	12.0
261.08771	1.6
261.13217	1.1
269.16626	3.4
270.10046	1.1
277.15591	3.0
295.14450	2.3
312.26541	7.1
313.15610	1.6
313.26871	1.5
336.20541	0.9
349.18732	7.2
356.25528	54.6
357.14542	100.0
357.25772	4.3
358.10730	1.6
358.14883	11.6
374.17178	43.0
375.17795	5.2
392.07443	1.0
392.18228	9.2
393.21738	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	392.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
59.01384	14.2
61.81896	0.9
61.98815	2.3
69.46514	3.6
70.02983	1.7
71.01373	4.1
72.00917	5.0
75.00901	1.8
81.02202	4.1
82.02975	2.5
82.06612	2.4
83.01350	0.9
87.05646	1.3
89.02443	1.6
91.05540	4.1
96.00918	10.4
98.02473	17.7
99.04521	3.2
101.02425	4.1
104.60980	0.9
105.02078	0.9
108.02184	5.8
109.01685	2.0
112.07681	0.9
113.02476	0.9
113.02802	1.5
113.03574	16.8
113.04300	1.6
114.01971	1.9
115.51128	1.0
116.05022	1.2
117.36159	0.8
118.06645	4.3
122.06042	1.0
124.02780	2.8
127.08793	2.0
129.10362	6.9
130.08751	7.0
130.74199	0.9
131.04651	2.1
138.09264	3.8
139.08777	2.8
140.07176	4.0
143.05017	2.3
146.06009	1.0
147.04515	19.0
147.05638	1.6
148.04919	1.1
153.10286	1.1
155.08322	5.4
157.06599	1.5
164.07166	38.5
165.07452	1.5
165.10295	7.0
166.08737	27.8
167.08122	1.4
172.07732	1.7
176.26286	0.9
181.09851	2.5
183.11409	3.5
191.08430	1.1
199.06412	7.3
200.07124	2.9
209.09279	4.6
222.10094	1.3
225.16066	0.9
230.14798	1.8
233.16580	2.3
235.13469	2.7
238.07437	1.1
249.13412	1.6
256.08551	2.0
259.14487	3.4
269.16602	1.7
270.14993	2.8
273.18811	1.2
277.15601	7.6
295.14554	3.4
313.15570	10.8
314.15839	1.4
356.21265	1.6
356.25430	7.5
357.14548	100.0
358.14850	14.1
361.80463	1.0
374.17197	45.6
375.17035	4.1
392.18808	15.9
392.27924	9.0
393.17532	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.46214	2.0
98.22575	0.6
106.36183	0.6
141.18437	0.5
142.69319	0.4
152.10893	0.5
377.22742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39358	4.9
54.22534	4.7
57.85270	4.5
61.98827	100.0
67.66124	4.1
70.10138	4.7
70.33515	6.0
70.33836	5.0
74.94806	5.2
79.31211	5.2
93.63628	6.1
100.99483	5.4
166.58940	5.0
170.84514	5.1
258.82291	6.1
264.06992	5.1
340.52457	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	393.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	7.4
59.01379	89.6
59.33318	5.7
61.98828	100.0
69.52235	7.3
69.52581	23.7
71.01376	26.2
73.02944	7.4
87.00868	7.1
89.02436	29.6
89.78377	6.4
101.02433	18.4
109.02962	9.7
113.04447	6.7
114.93322	6.4
130.08740	14.8
131.03442	11.8
147.04456	8.0
149.04535	22.1
155.97435	5.7
159.04498	14.3
171.10312	18.0
231.12276	9.7
259.15320	8.1
330.20334	12.1
357.21265	8.7
393.13113	68.2
393.17526	9.8
393.21521	10.7
394.13724	9.2
394.19061	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	393.132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94675	7.6
51.97097	7.0
51.97382	7.6
59.01381	23.2
61.98830	100.0
65.01404	8.8
69.97740	22.0
70.44482	7.6
80.61585	8.8
81.61129	8.0
81.98103	8.9
86.99248	8.0
87.05700	8.2
88.32238	8.0
96.00917	16.2
98.22601	10.9
167.07240	11.2
172.46298	10.2
352.61920	8.5
393.13190	32.1
411.79236	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
56.55705	0.6
57.03450	1.9
58.00595	1.1
59.01378	100.0
60.01722	1.3
61.98822	0.6
69.12470	3.9
71.01380	39.6
72.99310	1.7
73.02953	1.9
76.13027	0.6
83.01399	2.3
85.02950	8.4
85.03406	0.8
87.00895	1.8
89.02443	46.2
90.02777	0.6
95.01405	2.8
99.04530	0.9
101.02438	28.8
105.03296	0.5
108.02169	0.6
113.02449	18.0
119.03499	25.4
120.03792	0.6
131.03519	2.1
143.03532	3.4
149.04596	1.6
153.43214	0.5
161.04564	3.7
176.26088	0.5
179.05626	5.4
195.70146	0.6
213.14978	0.6
216.13368	0.7
231.16046	2.3
268.17770	0.5
299.46942	0.5
320.70450	0.6
333.19324	0.7
341.28329	0.7
358.14780	1.9
375.17319	0.7
393.21298	55.1
393.28046	1.7
394.21628	5.0
412.32095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58868	1.8
59.01368	5.0
61.98817	4.5
66.93130	2.2
67.34475	2.1
68.73343	2.3
69.37942	4.4
69.38328	5.6
74.71920	2.2
80.91681	15.7
81.68674	2.0
97.02950	2.0
97.28388	1.9
99.92599	3.9
115.77553	2.1
127.07652	12.9
167.14363	2.1
183.13896	6.0
192.95743	2.5
195.13902	6.7
203.10493	3.3
204.32861	2.1
217.25381	2.0
223.13091	17.7
233.11508	5.7
242.73398	2.1
262.11826	8.5
267.12024	4.2
293.21234	4.6
303.19254	2.3
311.22263	29.6
312.22757	4.6
333.20438	100.0
334.20871	10.9
376.13419	7.4
395.83545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17620	0.5
61.98829	100.0
64.08846	0.4
65.64473	0.4
69.42940	0.8
69.43330	0.9
72.68571	0.4
84.00920	1.7
94.21508	0.5
97.02960	0.7
119.70773	0.4
262.12003	1.5
287.56442	0.4
291.19675	0.9
309.20682	3.7
325.10178	1.1
331.18994	1.9
393.95276	0.4
394.18475	4.7
395.18939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56047	100.0
71.11671	33.6
90.49722	30.5
105.26332	34.6
128.09874	37.9
297.77222	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85271	77.7
71.07294	98.3
110.65603	75.6
151.22198	72.8
162.62881	76.7
174.67000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1919
Annotation	Creoside IV
Peak:m/z	Relative Intensity
50.88660	0.8
54.83983	0.8
55.01879	5.5
57.03456	5.2
59.01379	43.2
60.01709	1.2
61.98826	7.0
64.74170	0.9
69.02943	0.9
69.03461	1.5
69.37952	4.0
71.01381	50.7
72.99286	1.0
73.02945	28.5
75.00874	1.7
75.81033	1.1
78.47128	0.9
81.03452	1.2
83.01388	13.0
85.02951	26.7
87.00877	3.7
89.02444	11.3
95.01363	4.0
97.02959	2.7
97.72996	0.9
99.00887	8.8
101.02444	59.6
111.00871	2.5
113.02448	23.0
113.77241	0.8
115.04032	1.7
115.05470	1.0
119.03451	0.8
119.15720	0.9
123.35581	0.9
125.02449	2.9
128.03534	1.0
129.01971	1.4
130.08755	1.0
131.03500	3.7
138.42361	0.9
143.03470	2.1
149.04573	1.0
159.02966	3.5
161.04550	17.9
174.13467	0.9
184.84329	0.8
195.06647	3.7
203.05743	1.1
218.93088	0.8
233.06688	2.3
256.04147	0.9
263.14996	100.0
264.12854	1.2
264.15311	7.1
293.08627	0.9
300.12738	1.2
307.13882	1.0
309.81323	0.8
318.13422	6.1
354.22836	1.0
357.26129	1.4
374.90207	0.9
378.14096	0.8
395.08508	3.9
395.19226	75.4
396.15826	1.8
396.19580	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	395.2588
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.28769	1.0
57.03448	32.6
61.98831	2.1
69.93237	1.0
98.21971	1.0
116.92832	1.4
163.11292	93.7
164.11580	5.3
219.13889	35.7
220.14310	1.7
337.21686	2.1
395.25894	100.0
396.26331	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2801
Annotation	12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
55.01843	1.5
81.07090	2.4
84.14075	1.1
88.75535	1.1
112.49542	1.1
120.05888	1.1
135.11775	2.0
151.64595	1.1
153.32814	1.1
163.11290	28.1
170.76447	1.1
181.12343	2.3
199.13405	40.8
200.13762	2.6
207.10251	1.8
215.95609	1.3
345.24402	1.4
377.26889	1.3
395.28018	100.0
396.28384	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	396.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70997	1.0
61.98823	2.5
65.46197	1.3
65.87757	1.3
70.71338	2.0
96.96001	2.4
97.93160	1.7
99.92583	56.9
100.92588	3.2
100.93330	1.9
115.92090	6.7
116.92847	11.4
118.89976	100.0
119.89993	3.8
119.90789	4.8
123.32634	1.2
134.89461	5.1
135.90263	15.4
150.88943	1.5
288.87677	1.3
311.16776	2.0
360.14001	9.6
396.11615	43.1
397.11807	7.4
397.22739	2.2
411.33438	1.5
417.79330	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	396.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.39178	1.4
99.81104	1.4
125.39890	1.3
131.29993	1.6
291.89191	1.6
291.92456	1.7
311.85962	1.7
395.81311	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	396.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16228	19.2
69.47363	100.0
79.35735	20.0
98.22652	38.7
112.25998	23.7
125.02229	24.2
155.14958	24.1
167.01518	24.4
345.30188	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92767	62.0
52.95472	59.4
54.50029	57.0
68.02190	73.0
70.76029	91.8
113.64252	58.8
121.49464	64.6
133.69148	61.2
139.86829	66.1
147.03143	69.3
202.80353	62.2
203.63017	67.8
359.44824	67.0
369.24661	85.0
416.05713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2592
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
59.01381	5.3
71.01379	7.5
72.99308	3.0
73.02911	1.1
74.66007	1.1
75.00871	100.0
84.02177	1.1
87.00886	3.0
99.00883	4.3
105.29676	1.0
186.95694	1.1
229.40152	0.9
244.24971	0.9
276.09137	1.0
288.51074	0.9
293.56592	1.1
315.23297	1.4
343.22748	3.3
361.23727	3.4
379.24805	2.5
397.25922	81.3
398.26294	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	398.1319
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
61.98829	0.7
62.56366	0.5
71.22562	0.7
71.22920	0.5
96.96048	0.5
97.93114	1.3
99.92584	67.8
100.92599	4.0
100.93350	3.5
104.61432	0.5
108.72047	0.5
110.95493	0.7
115.50819	0.6
115.91304	0.7
115.92085	9.4
116.92852	8.2
118.89975	100.0
119.89978	4.4
119.90775	3.9
133.98833	0.5
134.89459	5.6
135.90256	21.1
136.90265	0.7
141.93661	1.1
150.88960	1.3
161.91789	0.6
167.91119	0.6
246.37569	0.6
362.15552	14.8
363.15775	1.9
398.13199	68.2
399.13345	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	398.291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63895	71.1
67.47969	78.7
87.95031	69.3
96.96051	100.0
106.53835	75.0
118.89931	92.3
167.17056	73.0
398.22919	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95794	46.0
58.67713	43.0
66.48371	50.9
70.31876	100.0
98.21803	51.6
107.66963	66.8
128.97546	48.0
174.57884	54.4
267.37524	49.4
287.87457	45.4
317.82965	51.9
328.95914	47.3
371.09811	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76723	0.9
55.79137	0.8
59.01384	5.7
61.79781	0.9
70.14815	0.9
70.78503	1.3
77.03954	4.1
89.03918	0.9
95.05032	7.0
105.03471	20.5
106.03741	1.0
119.04943	1.4
123.04507	7.8
129.61311	1.0
132.02197	1.2
133.02957	100.0
133.43405	0.9
134.03270	4.7
135.04488	2.7
140.37479	1.0
147.04500	3.9
149.02420	3.9
151.03999	2.9
159.04611	1.0
161.02408	4.4
175.04019	2.2
177.01926	63.9
178.02277	2.4
179.03639	0.9
193.54753	1.1
195.02933	1.3
195.71526	0.9
212.96754	1.0
316.87656	1.2
317.88019	1.0
339.07346	1.7
341.08371	1.3
376.70703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.02073	0.6
57.03444	2.0
58.00595	0.7
59.01378	100.0
60.01706	1.2
60.33726	0.6
61.98830	4.9
69.03455	0.5
70.28022	1.2
71.01380	51.7
72.99311	1.4
73.02952	2.7
75.00872	2.0
83.01406	2.6
85.02949	12.8
86.13927	0.6
87.00871	4.2
89.02444	59.9
90.02800	0.8
95.01376	3.5
95.05042	1.5
97.02954	1.0
97.06564	0.7
99.00888	0.8
99.04511	1.0
101.02444	30.5
102.02769	0.9
107.05041	0.7
111.04575	0.9
113.02451	20.5
119.03504	28.3
120.05828	0.6
121.06671	0.7
122.03795	1.0
123.04507	0.7
123.08217	1.2
124.28093	0.6
125.06084	3.9
127.71600	0.6
129.01961	0.9
130.08743	2.2
131.03506	2.4
133.02966	1.3
135.04541	1.1
135.08218	1.0
136.05307	1.3
137.02484	1.8
137.06088	4.2
138.03250	1.3
139.04008	6.2
139.07674	1.6
143.03506	3.4
145.03009	0.7
149.04523	1.2
149.06123	0.7
149.09698	3.1
151.07697	1.7
153.09189	1.5
159.08118	4.7
161.02400	0.7
161.04567	5.2
161.09692	1.3
163.04048	1.2
164.08426	1.0
165.09206	0.7
167.07108	0.8
172.02016	0.5
173.09685	1.0
175.04051	0.8
175.06339	0.7
175.07683	2.2
175.11279	34.1
176.11649	2.1
177.02094	0.9
177.09200	7.9
178.09694	0.7
179.05608	6.4
179.07021	1.1
179.10797	2.6
181.04562	0.5
181.08701	4.8
184.89371	0.5
185.06090	8.1
186.06876	4.8
189.05554	1.8
189.09337	1.0
189.43848	0.6
191.10788	1.2
193.12334	0.9
201.09207	41.3
202.09575	2.1
203.07178	3.1
203.10883	0.9
204.07925	7.9
205.08574	1.2
207.10330	4.4
208.76256	0.6
218.09624	1.3
219.10252	42.7
220.10641	2.6
236.10646	1.0
237.06136	1.0
237.11317	9.3
238.11821	0.9
261.11407	0.8
300.08603	0.8
381.15338	1.2
399.16605	27.3
399.27274	1.8
400.17004	3.1
400.21899	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14753	0.5
55.01880	1.5
57.03453	2.1
58.00591	1.1
59.01377	100.0
60.01714	0.8
61.98837	3.4
71.01381	48.9
72.99300	1.8
73.02948	3.1
75.00877	1.1
81.03482	0.7
83.01405	2.1
85.02943	9.9
85.47224	0.5
87.00861	5.0
89.02443	61.4
90.02760	0.7
95.01389	3.9
95.05022	1.2
97.02986	0.8
99.00869	1.0
101.02440	30.1
102.02796	0.7
108.02244	0.6
109.02975	0.6
109.06647	0.6
111.04549	1.1
113.02451	20.6
119.03500	29.3
120.03762	0.5
123.08186	1.0
125.02451	0.9
125.06058	3.7
129.01932	0.7
130.08772	3.4
131.03508	3.2
135.08144	1.7
136.05309	1.1
137.02502	1.1
137.06094	4.6
138.03229	1.1
139.04010	6.2
139.07637	0.8
143.03499	3.7
149.04536	2.1
149.09700	3.1
151.07657	2.1
153.09216	1.1
159.03073	0.7
159.08192	4.6
161.04576	5.3
161.09735	1.2
163.07672	0.7
164.08458	1.1
167.07129	1.7
173.09737	1.2
175.04002	0.5
175.07666	2.0
175.11275	32.1
176.08304	0.8
176.11607	2.5
177.09212	7.7
179.05630	7.1
179.07117	0.9
179.10788	2.1
181.08731	4.9
185.06061	6.6
186.06856	4.5
187.07394	0.6
189.05559	1.3
189.09225	0.8
191.10776	2.1
193.12318	0.8
199.18314	0.9
201.09215	39.1
202.09540	1.8
203.07130	2.7
203.10620	0.9
204.07930	7.1
205.08327	0.7
207.10284	3.6
216.60791	0.6
218.09557	1.2
219.10257	43.6
220.10635	2.5
221.11882	0.6
235.08060	0.6
236.10417	0.9
237.06204	1.3
237.11316	10.6
238.11694	1.4
239.12929	0.6
242.33012	0.7
261.11334	1.1
276.77975	0.5
300.08466	0.9
313.26019	1.2
381.15372	1.5
393.31342	0.7
399.16577	32.3
399.27161	5.4
400.16882	3.1
423.87259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
58.00570	1.2
59.01377	100.0
60.01716	1.4
61.71978	1.3
61.98812	3.1
63.03127	1.1
68.36703	1.0
69.08778	8.2
71.01376	52.0
72.99294	2.0
73.02936	3.1
75.00856	1.4
83.01383	2.1
85.02945	13.1
87.00869	5.1
88.04040	45.1
89.02441	54.3
93.03461	1.2
95.01379	3.2
95.05028	1.5
98.02475	1.8
99.00860	2.0
101.02437	29.8
105.03442	2.4
109.02972	2.6
111.99383	1.2
113.02446	22.4
114.05562	1.9
115.08769	13.0
115.17794	1.3
119.03504	27.5
120.01239	1.3
125.06082	3.6
128.03551	2.3
129.10323	4.6
130.08755	4.3
131.03535	1.7
133.02957	12.7
135.04567	1.9
137.06102	3.4
139.04018	5.4
139.07726	1.4
141.39629	1.2
143.03484	2.8
143.11893	3.4
149.04549	1.7
149.09727	2.8
151.07649	2.9
153.09219	1.6
159.08118	5.6
159.74501	1.1
161.04550	6.4
161.09735	2.0
163.03983	1.7
165.09157	1.7
171.93245	1.1
173.09581	1.8
175.07675	2.0
175.11279	34.3
175.12730	2.6
176.11649	2.1
177.01930	7.0
177.09190	8.0
179.05600	8.9
179.10747	1.7
181.08727	4.5
185.06052	6.1
186.06870	6.5
187.10820	2.9
189.05421	1.5
191.10820	1.7
194.11966	1.4
201.09212	41.3
201.12202	2.1
202.09517	3.2
203.07109	3.7
204.07936	7.4
207.10246	4.0
218.09396	1.4
219.10249	46.4
220.10559	2.5
236.10730	1.3
237.11320	9.9
256.20331	1.8
275.61279	1.1
300.08527	2.1
310.09271	3.8
312.06592	1.5
381.15506	1.5
399.07394	9.6
399.16669	28.4
399.26123	39.2
400.16705	4.7
400.21533	2.3
400.26471	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04099	4.1
59.01386	35.2
61.98825	6.1
64.82858	5.8
66.62885	4.4
71.01382	38.1
71.45689	5.1
73.02942	10.2
85.02950	19.7
88.04067	6.8
89.02457	17.2
99.00898	4.2
101.02458	25.9
113.02473	21.9
121.06615	6.4
137.09715	100.0
138.10104	8.6
148.87712	4.5
159.02951	4.7
161.04581	22.0
161.72348	5.0
250.05206	5.1
399.25250	16.2
413.80905	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03440	2.9
58.00595	1.7
59.01377	100.0
60.01700	1.0
61.98819	4.0
69.10328	6.2
71.01379	56.8
72.99316	1.8
73.02952	4.9
74.02475	2.8
75.00866	2.5
81.03447	1.1
83.01386	2.5
85.02951	17.4
87.00873	6.5
87.05692	1.4
88.04045	1.9
89.02445	65.0
93.03445	1.0
95.01381	4.0
95.05051	1.5
97.02904	1.2
99.00890	2.3
99.04519	1.8
101.02442	39.4
102.05614	1.3
109.02926	1.5
113.02453	24.6
115.00325	0.9
115.08795	1.6
116.07155	1.4
119.03505	30.4
121.06602	2.1
123.04518	1.7
123.08160	1.5
125.02425	1.3
125.06081	4.3
128.03514	1.0
129.10374	1.2
130.08771	2.0
131.03523	2.2
133.02954	4.2
136.05298	1.2
137.02454	1.9
137.06123	4.4
137.09724	11.3
138.03221	1.0
139.04010	6.5
139.07643	2.7
143.03517	4.9
147.06621	1.1
149.04506	2.3
149.09698	4.4
151.07640	2.6
153.09187	1.3
155.08255	1.0
159.08130	4.3
161.04547	7.2
161.05862	1.2
161.09697	1.1
163.04030	1.0
165.09193	2.4
165.36378	1.2
172.15985	0.9
173.09665	1.3
175.03961	1.3
175.07683	4.0
175.11266	34.6
176.08441	1.2
176.11630	1.3
177.01991	3.8
177.09177	9.0
179.05626	7.0
179.07042	1.7
179.10861	1.5
181.08701	5.5
185.06064	10.0
186.06856	6.9
189.05634	1.4
189.09140	1.2
191.07005	1.2
191.10925	1.4
193.08722	4.3
193.12340	1.3
201.09209	50.3
202.09644	2.4
202.38741	0.9
203.07135	1.9
203.10843	1.4
204.07945	6.4
205.08324	1.5
207.10257	4.4
211.07602	1.7
218.09502	1.3
219.10262	53.8
220.10648	3.8
236.09299	3.1
237.07629	1.9
237.09987	1.5
237.11496	10.9
239.12868	1.1
249.07678	1.1
265.06985	1.4
300.08514	1.0
356.35406	1.0
363.16626	1.4
381.15656	1.7
399.07492	3.1
399.16660	44.2
399.26306	5.5
400.16800	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	399.2022
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
55.01870	0.9
57.03445	0.7
58.00581	0.8
59.01378	40.0
60.01684	0.9
61.98820	0.7
66.10775	0.6
70.64129	1.6
71.01379	17.0
72.99297	0.9
73.02937	2.1
74.36430	0.7
83.01390	2.1
83.05014	1.0
84.02209	0.6
85.02943	5.7
87.00867	1.8
89.02441	13.2
95.01366	1.1
96.84136	0.7
101.02443	11.9
113.02444	6.6
119.03500	5.3
135.11787	7.6
167.15390	0.6
175.15012	0.7
182.21625	0.6
189.24829	0.6
191.14439	1.9
219.13905	2.8
223.93027	0.7
233.15340	0.8
237.14948	40.8
238.15416	3.0
240.66589	0.6
279.16022	1.2
325.87967	0.7
329.88876	0.6
399.20200	100.0
400.20526	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2248
Annotation	Bisucaberin
Peak:m/z	Relative Intensity
53.99180	0.5
54.22311	0.5
58.02960	3.8
59.01374	1.0
60.34309	0.5
69.27770	0.5
70.73821	0.7
73.04067	1.8
73.81068	0.5
74.02457	0.6
75.94733	0.5
80.31804	0.5
83.02536	0.6
84.04553	1.2
87.05101	1.2
87.05636	21.4
97.04025	0.8
100.64122	0.5
101.07201	1.3
102.87186	0.5
105.80388	0.5
106.62896	0.5
110.02477	1.9
111.05630	1.8
112.04050	0.9
116.07177	47.3
117.07521	1.1
119.38795	0.5
126.06766	1.4
126.09274	0.6
127.05139	1.9
129.06703	30.0
129.10361	2.0
130.07042	0.8
130.08728	1.2
138.46826	0.7
139.08806	0.8
141.10356	1.4
143.08330	0.7
143.11876	1.9
144.07799	5.6
152.07190	0.6
154.07487	3.6
168.07761	1.7
169.09843	2.0
185.16583	14.2
186.08835	2.6
186.16963	0.8
195.14958	0.8
196.14595	1.7
200.14055	1.5
211.14470	2.2
214.15582	1.1
229.15593	6.5
238.15553	1.2
242.18756	9.9
263.98572	0.6
265.83777	0.6
268.16653	0.6
286.17551	1.0
313.22443	6.8
332.43842	0.5
355.23273	0.8
357.21265	1.0
399.22470	100.0
400.22733	10.6
412.95981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.275
Annotation	oscr#27
Peak:m/z	Relative Intensity
53.38954	1.4
57.52456	1.4
58.88454	1.3
59.01374	4.5
61.98845	2.0
69.13725	6.3
71.01381	7.1
72.99301	3.8
75.00868	100.0
87.00871	5.1
99.00874	5.0
129.83510	1.2
198.31100	1.1
301.25415	2.4
331.24536	1.4
345.24426	2.5
345.58112	1.5
363.25381	4.2
381.26465	1.9
399.27487	91.1
400.27707	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	400.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	51.7
64.89854	29.9
110.33448	25.6
126.84237	30.5
144.86919	27.3
186.80396	30.5
209.80775	27.0
297.07635	36.0
309.07648	64.4
312.09955	40.0
324.09665	43.1
327.12335	100.0
339.12317	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45354	2.0
56.45700	2.0
57.03431	5.7
59.01374	41.0
61.98824	17.3
67.70872	2.0
71.01379	33.5
73.02938	11.3
73.04077	4.7
83.01401	2.8
85.02950	15.7
87.05659	2.3
89.02460	10.6
90.92813	2.0
101.02454	20.6
104.11250	2.1
108.10477	2.1
113.02451	11.7
115.92154	2.3
116.07088	2.3
119.03519	5.4
130.08740	9.5
136.18874	2.3
161.04518	13.1
177.12810	4.4
221.11766	5.7
251.11578	2.8
256.20172	3.3
357.15433	9.0
371.23071	4.7
401.18176	100.0
401.23743	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	401.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98832	0.7
64.03689	0.5
69.72323	0.6
69.72655	1.1
71.01392	1.1
73.02962	0.6
77.03973	2.6
77.54095	0.4
79.01875	2.0
89.02427	0.7
93.03460	3.4
97.02952	0.4
105.03446	1.4
107.01378	0.7
113.02447	0.5
117.03462	14.4
119.05033	2.8
121.02976	3.3
127.40532	0.5
133.02919	0.7
135.04536	3.4
140.72920	0.5
145.02921	0.7
147.04482	0.7
149.02432	3.2
151.00319	0.6
151.04128	0.5
159.04517	2.6
161.02440	7.0
162.02869	0.6
163.00386	2.4
163.03983	6.9
165.01958	1.3
165.05536	1.8
173.02350	0.7
175.03864	0.7
177.01910	1.2
179.03468	1.7
183.04492	1.1
183.36510	0.5
185.02365	0.6
188.01254	0.4
189.01981	0.6
191.03551	2.2
193.01486	1.0
193.04976	0.8
195.04477	0.6
196.05313	1.1
197.06087	1.1
203.03491	1.5
211.07635	1.2
213.05634	0.7
215.07033	0.7
224.04802	0.6
225.05539	1.3
227.03468	0.7
239.07094	2.2
253.05099	1.4
266.06995	1.0
268.03745	5.5
269.04529	7.4
270.05060	0.7
281.04526	11.5
281.09308	0.8
282.05298	7.3
283.06107	60.0
284.06488	4.5
293.04419	2.8
295.06152	4.2
308.03180	0.8
309.03986	1.4
311.05609	90.2
312.05930	8.1
314.04236	0.6
323.05560	10.6
324.06042	0.9
341.06635	29.7
342.07013	3.0
347.05612	1.2
353.06552	0.8
365.06772	1.4
383.07663	2.5
401.08743	100.0
402.09073	12.8
402.25119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51313	2.0
59.01376	32.5
59.01886	1.9
60.99305	7.0
62.55802	1.8
69.92579	1.9
71.01373	24.0
71.26743	3.0
72.99306	73.9
74.00076	9.3
75.00870	6.9
85.02926	4.0
87.00880	9.0
89.02440	100.0
101.02448	7.8
103.69469	2.2
105.01936	57.3
113.02450	8.9
114.87654	2.5
115.00387	3.7
119.03516	8.6
125.98513	2.1
133.01422	90.6
139.15883	1.9
145.01466	11.7
158.04552	2.3
161.04610	2.4
163.04002	3.0
172.92480	2.2
176.04626	2.2
179.05673	11.6
179.07047	3.2
221.02966	16.6
246.72905	2.1
265.07144	6.7
295.08182	5.7
341.10883	47.4
341.14999	2.7
342.11136	3.7
355.10043	2.5
400.46915	2.0
401.10818	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30243	1.9
53.14044	1.6
55.01863	2.2
55.02995	2.2
57.03442	1.9
59.01379	43.4
59.03165	1.7
61.98829	53.9
69.83723	2.7
69.84054	4.0
71.01379	31.7
71.37283	1.5
72.99308	2.3
73.02947	6.5
74.02470	3.4
85.02966	8.5
86.42173	2.1
87.00876	48.0
88.04011	3.4
89.02441	35.0
96.00923	2.6
98.02563	2.3
101.02451	17.2
111.00866	3.8
113.02441	14.1
113.03591	2.2
115.08801	2.1
119.03468	8.8
123.00855	2.7
127.05207	2.4
128.03499	5.1
131.03525	3.2
131.08232	3.0
133.02933	6.3
135.04543	2.9
138.03203	3.5
143.03513	3.0
149.02426	3.5
151.00349	3.1
153.05615	2.5
161.02411	11.5
161.04565	4.5
163.04010	18.3
164.04823	13.0
166.02702	7.5
170.06194	2.1
175.04042	2.9
176.04771	11.2
177.01936	8.1
177.05464	2.1
178.06348	19.8
179.03656	8.8
179.05609	11.0
179.07138	27.1
180.07510	2.9
181.05067	7.2
187.04086	2.2
188.04747	2.5
190.02708	2.7
191.03539	19.7
191.07135	7.6
192.04298	3.1
193.05057	5.6
193.08723	4.1
194.05885	6.0
203.03523	5.9
205.05066	9.0
206.05794	8.1
207.06551	4.4
209.08165	10.8
218.05833	3.3
219.03021	4.8
220.03664	1.8
221.04610	2.7
221.08208	6.8
233.08331	2.2
234.05327	4.3
235.02374	2.1
235.06152	4.0
237.07666	3.5
247.02499	5.6
247.06029	3.2
249.07671	6.9
251.09247	3.8
262.04858	11.9
265.07156	54.7
266.07416	2.6
277.07138	26.5
278.07693	2.0
295.08221	79.9
296.08572	4.2
320.58621	1.9
337.09094	2.2
341.10867	43.1
342.11011	3.4
355.10327	21.1
369.07678	2.1
383.10001	8.4
400.27164	2.0
401.10864	100.0
401.20224	7.3
401.21021	7.4
402.11267	11.5
402.19745	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	74.3
61.63742	2.3
69.55505	9.9
71.01379	37.8
79.54893	2.3
85.02948	5.7
89.02438	63.5
98.21871	4.8
101.02451	23.6
109.61502	2.7
113.02460	21.7
119.03497	17.5
131.58836	2.6
137.33244	2.3
143.03537	3.9
161.04558	5.9
175.68138	2.9
179.05589	24.2
185.47534	3.0
194.66515	2.4
204.91928	2.6
295.68634	2.4
341.10840	100.0
342.11215	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04531	3.4
59.01377	76.6
69.77210	3.6
69.77552	9.2
70.61012	2.7
71.01383	47.5
72.99316	4.9
80.52041	2.7
85.02966	4.6
87.00867	3.5
89.02444	65.3
91.68693	2.7
98.22651	5.2
101.02452	17.7
101.03014	2.8
105.01947	9.9
113.02447	17.9
119.03503	20.9
127.44323	2.7
130.48074	2.9
133.01369	3.2
143.03516	3.9
151.85368	3.2
161.04503	3.8
179.05605	27.3
341.10864	100.0
342.11179	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	401.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
61.98820	2.5
69.87358	1.8
70.38481	0.7
71.01382	0.7
77.33503	0.6
78.60847	0.7
89.02460	1.0
90.80175	0.6
101.02472	1.1
140.04327	0.7
160.04015	0.7
187.55388	0.7
188.03488	1.5
198.04317	1.1
209.07191	1.1
210.05721	1.0
211.04984	1.1
211.08763	0.8
212.07390	5.1
225.04343	0.7
226.03789	4.1
226.07230	0.8
227.04762	0.9
227.08260	2.3
238.08855	1.7
239.04581	3.9
239.08302	2.7
239.12762	0.8
240.05109	5.3
241.06097	6.7
242.06421	0.7
251.08223	2.0
253.06200	2.4
253.09760	0.9
254.06931	1.8
255.07753	12.2
256.08359	1.4
262.73502	0.6
265.06046	0.9
265.09888	1.3
266.07544	1.5
267.04111	10.6
267.07718	6.8
268.04755	1.4
268.08411	1.4
269.09299	1.5
277.06097	0.9
279.07684	1.1
280.04984	0.8
281.05823	1.4
281.09305	5.6
282.03079	1.2
282.06479	3.4
282.09433	0.7
283.07227	8.3
291.07611	0.8
293.05753	2.0
293.09073	1.5
294.06366	3.5
295.07233	7.7
296.07864	1.1
299.06805	1.2
308.07932	0.7
309.08777	12.2
309.12097	1.1
310.09244	1.2
313.08298	0.8
315.09897	7.0
326.10077	0.8
327.09830	2.4
337.08279	7.3
338.08728	0.9
341.11224	2.7
369.10925	29.3
370.11121	3.1
401.13510	100.0
402.13837	11.1
402.19360	0.8
402.21255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75797	0.6
57.29438	0.6
59.01376	100.0
60.01717	1.1
70.06452	1.6
71.01391	2.0
80.79860	0.6
85.02976	0.7
86.45552	0.7
89.02463	1.5
102.35373	0.6
146.03737	19.8
146.04819	1.4
161.06079	7.3
163.04062	0.8
164.04778	15.6
179.07127	58.0
180.07532	2.0
185.95061	0.8
298.71655	0.7
314.62210	0.7
341.11154	0.7
423.73190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.00504	0.9
55.01872	7.4
57.03450	6.2
59.01380	65.3
61.98804	3.4
69.03436	3.9
71.01378	93.8
72.01714	1.4
72.99319	1.8
73.02943	42.0
74.02456	2.9
75.00858	2.9
80.14101	0.9
81.03497	1.3
83.01387	13.4
85.02947	47.1
85.52799	1.1
86.03262	1.3
87.00877	8.8
87.05620	2.4
88.04032	4.1
89.02439	30.5
95.01393	6.7
95.02977	0.9
97.02955	6.1
98.02443	0.9
99.00877	17.5
99.04514	1.1
101.02440	76.2
111.00877	2.5
113.02447	41.2
115.04022	3.9
116.07186	1.9
119.03514	7.4
123.04513	1.7
125.02441	7.7
129.01878	2.4
129.10324	3.2
130.08742	4.9
131.03502	4.9
136.05313	1.2
138.06816	4.7
139.07642	1.1
143.03487	6.2
143.11917	0.9
147.04507	1.6
149.04506	3.3
151.07669	5.7
152.08372	1.7
153.09250	5.2
153.10297	1.0
158.45531	0.9
159.02971	7.2
161.04555	58.7
161.09697	2.1
162.04871	1.7
165.09193	1.8
179.05585	2.2
179.10696	2.7
186.12492	1.5
187.07607	6.1
188.08386	6.2
191.05693	1.8
200.14053	2.1
201.09270	5.3
203.10764	34.1
204.11171	1.6
205.12460	1.2
206.09442	3.6
220.11081	4.6
221.11812	25.9
222.12201	2.2
226.12112	1.2
233.06670	7.6
235.08228	1.3
245.11786	2.1
269.10287	87.2
270.10663	6.5
293.08835	4.5
319.25653	1.1
357.21426	5.4
365.15964	3.9
366.16580	2.1
367.59073	0.9
371.22968	1.5
383.17340	1.2
401.14420	100.0
401.23975	7.0
402.10831	1.0
402.14951	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92302	1.3
55.01867	4.9
57.03440	4.7
58.00591	2.5
59.01378	100.0
59.38561	1.4
61.98824	3.8
69.03460	1.9
71.01379	93.5
71.03923	2.2
72.99309	3.1
73.02950	26.7
74.02486	2.0
75.00873	3.3
82.26292	1.4
83.01381	10.4
83.05029	4.2
85.01266	1.4
85.02945	37.5
86.00090	2.5
87.00874	22.2
87.04520	1.9
89.02445	42.3
94.16263	1.2
95.01374	8.3
97.02955	3.6
99.00886	9.8
101.02441	57.7
113.02450	43.0
117.44508	1.2
119.03506	20.8
121.02865	1.4
123.04562	2.1
123.08146	1.9
124.32740	1.5
125.02459	1.6
129.01929	2.3
130.08719	5.8
131.03468	1.8
137.06082	5.0
137.09712	2.6
139.07655	4.5
143.03471	3.2
151.11234	1.7
153.09184	2.0
159.02992	5.9
161.04555	31.8
161.09705	2.3
162.09769	1.4
163.11302	3.6
164.04889	1.6
167.10788	4.7
169.09746	1.7
177.09233	2.1
179.05611	3.0
179.10706	2.6
179.75359	1.3
181.12294	3.1
191.10770	2.5
195.10197	2.0
195.61609	1.6
196.08072	1.5
203.10754	9.0
220.91649	1.4
221.11838	25.6
239.09406	2.7
239.12912	11.8
256.20181	2.4
311.15048	5.0
315.01926	1.3
319.14072	4.2
341.10828	3.1
357.21588	3.0
383.17010	3.9
401.13419	2.2
401.18198	27.1
401.23474	5.0
402.18433	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	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
57.03432	1.2
58.00593	0.7
59.01379	9.8
61.98812	1.0
69.61240	2.0
71.01379	3.4
73.02930	1.1
83.04983	0.9
85.02956	3.1
89.02459	4.0
91.04005	6.5
91.68182	0.4
92.35316	0.4
96.16734	0.5
97.06587	2.0
99.80008	0.5
101.02434	1.9
106.04292	0.6
107.05057	0.6
111.04500	1.1
113.02444	4.2
121.10246	0.6
125.09712	0.9
127.03955	0.6
137.09738	0.6
155.10754	0.8
159.11659	0.8
161.04507	0.5
165.12840	0.8
171.10275	3.9
177.12825	6.8
183.13892	1.5
195.13896	90.1
196.14224	4.8
203.10748	1.4
211.13380	7.5
213.05623	0.7
219.13910	1.6
221.11804	3.1
229.14455	4.3
239.12880	100.0
240.13208	6.0
242.05864	6.5
257.08163	6.5
263.12885	4.7
264.13190	0.6
281.13904	2.8
283.19098	0.8
291.19525	2.7
309.20709	3.8
310.20789	0.7
327.21744	31.9
328.22189	2.7
401.17819	3.3
401.29184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03452	1.3
58.00590	1.0
59.01377	100.0
60.01711	1.5
61.98828	2.5
70.30975	0.5
71.01379	51.5
72.01721	0.7
72.99303	1.0
73.02950	2.0
74.02460	0.5
80.27434	0.2
83.01385	1.9
85.02945	10.2
87.00887	2.9
88.04057	0.5
89.02441	65.9
90.02781	0.9
95.01377	3.2
97.02953	0.3
98.21931	0.3
99.00856	0.5
101.02439	28.5
102.02789	0.6
105.24311	0.3
113.02448	20.6
114.02743	0.6
118.00464	0.3
119.03500	27.6
120.03815	0.5
125.02491	0.5
125.06049	0.4
128.03568	0.3
131.03529	2.1
136.05286	0.5
137.09744	0.3
138.06839	0.9
142.16762	0.3
143.03514	3.0
147.04463	0.2
149.04558	1.7
151.07646	1.5
153.09200	1.4
161.04562	3.5
161.09688	0.7
164.08340	0.6
165.09148	1.0
170.05809	0.5
173.09322	0.3
178.09969	0.5
179.04111	0.3
179.05623	5.8
179.07120	0.5
179.10689	1.0
187.07568	0.7
188.08334	1.2
191.07031	0.4
199.57697	0.3
201.09128	0.7
203.10777	4.7
206.09460	5.0
207.09828	0.5
220.10970	0.3
221.11812	7.4
222.12090	0.6
239.09247	0.3
245.11734	0.3
267.18228	0.5
357.21136	0.3
366.16379	0.3
401.18118	1.3
417.91150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14708	0.8
59.01378	100.0
62.33071	0.8
71.01381	42.7
71.47314	1.3
72.99326	1.2
73.02934	1.5
83.01400	1.6
85.02946	8.3
87.00871	2.3
89.02443	56.2
95.01389	2.7
101.02444	25.6
103.72649	1.0
113.02444	16.1
119.03505	22.5
131.03473	2.7
143.03493	3.9
146.03749	4.5
149.04509	1.6
161.04561	4.3
161.06004	2.0
164.04799	2.4
164.47722	0.9
179.05611	5.8
179.07144	15.9
180.07518	1.1
187.07680	1.1
203.10736	5.1
206.09470	3.8
221.11749	5.5
341.10959	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	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03450	3.7
59.01381	25.8
61.98848	0.5
63.64301	0.5
66.15834	0.4
69.34448	1.6
69.34843	0.9
71.01381	12.9
72.99316	0.6
73.02955	2.0
73.04073	2.0
75.00906	0.4
81.48397	0.4
83.01385	2.3
85.02956	5.1
85.04591	0.4
87.00890	1.0
88.04083	0.5
89.02444	7.0
95.01399	1.2
98.21828	0.8
99.00867	0.6
101.02449	8.6
103.05122	0.6
113.02451	4.6
119.03523	3.5
119.08678	2.0
121.06654	1.0
130.08759	4.5
131.64589	0.4
133.05185	0.4
137.09723	25.3
138.10048	1.3
138.43187	0.4
139.07605	0.6
149.09682	1.0
151.11282	1.2
153.09221	0.4
161.09738	1.2
167.73300	0.4
169.09862	0.5
169.79768	0.4
177.12839	3.4
184.22795	0.4
195.13931	0.6
199.18240	0.7
212.05692	0.5
221.11818	2.9
223.13454	0.5
239.12886	27.0
240.13217	2.3
256.20221	0.8
270.22061	0.6
281.13913	0.9
293.70074	0.5
353.22250	0.5
357.21597	1.9
401.18173	100.0
402.18497	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76734	0.9
55.01878	2.0
57.03439	3.0
59.01379	100.0
60.01720	1.1
61.01815	1.0
61.98831	4.7
67.10054	1.0
69.50789	4.0
70.02981	1.2
71.01382	55.2
71.03506	0.9
72.00886	0.9
72.01694	1.0
72.99300	1.5
73.02955	8.0
73.04066	2.2
74.02467	14.4
75.00863	1.3
76.40192	0.9
83.01391	5.8
85.02948	16.6
87.00864	1.8
87.05645	1.3
88.04053	2.4
88.88866	0.9
89.02444	49.8
90.02793	1.8
95.01376	5.2
96.00911	6.4
97.02943	1.0
98.02467	3.9
98.22611	2.5
99.00868	2.2
101.02446	34.3
110.02486	1.1
111.00774	1.0
112.02795	1.5
113.02454	24.6
113.03571	2.6
114.02714	1.2
115.08774	2.3
119.03500	22.9
123.08199	1.7
125.07153	2.0
127.05134	3.7
128.03523	2.3
129.10333	4.3
130.08710	1.6
131.03505	2.5
131.04504	2.1
137.06125	0.9
143.03526	2.6
147.04541	1.9
149.04509	1.2
151.07690	1.4
155.08298	1.4
159.03001	2.0
161.04565	9.5
161.09787	1.2
163.07605	1.2
165.09175	1.3
166.08736	1.7
169.09721	1.6
173.09357	3.3
175.11298	1.3
179.05576	3.1
179.07149	2.7
179.10773	1.2
187.10822	1.2
195.13828	2.2
203.10696	3.7
206.08536	1.2
206.92673	1.0
211.14548	3.9
219.10158	1.5
221.11960	6.4
222.12326	1.0
239.12788	1.3
267.18307	1.5
322.17542	1.9
343.14090	1.3
357.18500	2.5
366.05817	1.1
366.12115	1.4
366.16663	22.9
367.16873	2.0
383.19312	6.6
401.17767	29.5
402.18625	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	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.33088	0.4
53.35678	0.4
57.03433	0.5
57.28336	0.4
59.01379	10.3
61.98830	0.7
70.78705	0.5
71.01382	3.8
73.02947	0.6
77.97120	0.5
85.02955	2.5
89.02447	3.6
91.04002	5.8
95.01381	0.7
97.02928	0.5
97.06548	2.0
101.02440	1.3
106.04235	1.1
113.02429	3.2
119.03486	0.6
119.28037	0.4
125.09742	0.7
127.11311	0.7
140.21887	0.4
146.54546	0.3
155.10799	0.7
161.04573	0.7
165.12910	0.5
167.14449	0.5
171.10249	3.0
177.12846	6.6
178.13223	0.5
179.05675	0.4
183.13864	1.3
185.11873	0.7
187.95735	0.4
188.17929	0.4
193.12326	0.8
195.13892	100.0
196.14232	5.5
203.10818	2.2
209.11707	0.4
211.13385	8.3
212.13658	0.7
219.13858	0.8
221.11772	3.0
229.14447	4.9
239.12877	99.6
240.13216	7.2
263.12875	3.5
281.14026	2.7
291.19717	2.8
309.20651	2.9
327.21741	26.0
328.22000	2.4
401.18118	1.1
401.25388	0.5
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	Unknow
Peak:m/z	Relative Intensity
54.10505	1.4
55.01884	7.1
55.55226	1.3
56.54867	1.3
57.03445	7.2
59.01379	65.5
61.98800	3.6
69.03452	2.5
69.79417	3.4
69.79800	3.1
70.53908	1.2
71.01381	100.0
71.23138	1.3
72.01719	1.5
73.02946	39.7
73.04050	1.5
74.02457	2.6
75.00867	3.0
80.62693	1.3
81.03449	2.1
83.01389	13.7
85.02946	57.6
86.00065	1.4
86.03296	1.5
86.39682	1.3
87.00867	13.8
88.04037	4.7
89.02439	31.6
95.01366	6.6
95.04980	2.0
97.02946	6.9
98.22627	1.5
99.00875	16.5
101.02444	79.7
101.75840	1.5
111.00867	1.8
113.02453	41.0
113.06169	1.7
115.03973	3.0
116.47332	1.2
119.03515	9.6
122.03722	2.4
123.08181	2.5
125.02446	5.8
125.06112	1.7
129.01930	3.1
129.06679	1.6
129.10301	3.1
130.08760	6.6
131.03493	3.6
134.75235	1.3
135.08199	1.6
136.05280	2.2
137.06013	2.0
138.06892	9.8
139.07625	3.1
143.03427	6.5
149.04517	3.2
151.07628	14.7
152.08418	1.9
153.09209	12.7
159.02965	8.9
161.04559	55.2
162.04857	1.8
163.87791	1.4
173.09673	1.7
179.05528	5.2
179.07060	1.7
187.07648	12.8
188.08435	15.9
191.05635	1.5
201.09239	10.4
202.09807	1.4
203.10777	81.3
204.11090	4.8
205.12280	2.8
220.07391	1.3
220.10957	7.7
221.11819	42.2
233.06639	6.7
239.09215	2.8
245.11861	8.1
247.08188	3.7
269.10291	94.3
270.10635	4.2
293.08722	3.1
313.10818	1.7
357.21454	4.0
365.15930	5.8
366.16858	3.4
371.23102	3.2
383.17047	3.0
401.14459	75.6
401.23874	5.0
402.14917	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	401.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19185	12.6
53.94446	14.4
59.01382	31.8
61.98827	23.9
64.98745	14.4
69.24579	38.6
69.24986	33.5
84.12305	11.9
98.21835	27.1
121.02986	100.0
313.07181	34.0
357.06436	15.6
401.08691	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	20.8
61.98832	54.1
68.83640	14.4
69.44610	70.8
75.51774	14.5
76.99029	15.7
89.49804	16.0
121.02967	100.0
232.84427	20.4
313.07123	33.0
380.28232	20.1
389.47971	24.0
401.08270	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	401.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83863	1.1
55.01865	1.6
57.03437	2.5
59.01377	57.8
61.98820	3.3
69.44778	4.7
71.01378	33.6
73.02956	6.5
73.04069	47.0
73.18095	1.3
74.02472	68.1
74.95173	1.1
75.24988	1.2
79.24190	1.6
82.06610	3.2
83.01369	2.9
85.02955	16.2
87.00862	4.6
87.05630	2.6
88.04028	7.5
89.02441	40.6
95.01356	1.3
97.02932	2.4
99.00858	1.6
101.02440	21.8
109.02964	1.8
112.02804	3.0
113.02444	15.0
114.05594	2.0
118.05090	6.1
119.03521	15.8
123.08163	2.0
125.03539	1.4
126.09260	4.0
127.05119	1.5
129.06650	1.5
129.10359	10.0
130.08733	6.5
131.03491	1.3
137.09694	2.2
139.08760	3.3
140.07191	4.2
141.10362	2.1
143.03529	2.5
143.11887	28.7
147.04510	4.3
151.07744	1.2
153.09212	8.7
153.10329	1.8
161.04547	9.8
161.09708	1.9
164.14377	2.6
165.09163	3.1
167.10672	1.6
169.09825	11.1
169.13428	4.0
173.09674	2.6
179.05620	6.7
179.10710	3.7
186.12491	31.0
187.10919	6.9
187.12486	1.4
187.48283	1.3
191.10709	4.0
195.14978	1.9
197.16582	2.8
199.18123	2.1
200.14009	3.0
201.12402	1.4
203.10788	6.3
203.12431	1.3
206.09364	1.9
208.13492	11.5
213.88301	1.2
220.11064	2.1
221.11845	26.1
225.16069	3.3
239.09373	1.9
256.14258	1.2
256.20288	31.2
257.20563	2.8
266.18640	1.3
282.18192	4.0
282.21835	1.5
283.06140	2.3
300.19284	6.8
312.88412	1.3
313.10748	3.0
313.22491	8.5
357.21423	100.0
358.21701	8.9
366.12125	1.5
383.16602	1.5
401.18262	8.7
401.23975	53.9
402.24283	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	401.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.7
58.91020	1.3
59.01376	32.9
61.98816	5.7
66.83295	1.4
71.01381	20.0
71.05016	1.7
72.56184	1.4
73.02941	3.4
73.04070	39.2
74.02472	58.4
76.75893	1.3
82.06629	2.1
83.02528	1.9
85.02955	9.8
85.04044	2.3
87.00855	2.9
87.05621	7.5
88.04044	36.9
89.02443	13.6
92.64417	1.3
95.01382	2.5
96.00890	2.0
97.02942	2.0
98.02489	2.1
99.00877	2.0
101.02448	12.0
103.05142	5.6
104.03488	2.6
109.02940	1.6
112.02776	3.0
113.02438	9.4
114.05592	2.8
117.06697	4.9
117.71443	1.5
118.05094	2.2
119.03486	7.4
121.06606	1.9
126.09280	2.0
127.05122	1.9
128.03532	1.7
129.10324	15.5
130.08746	16.3
137.09718	2.7
139.08783	2.5
140.07176	3.3
141.10347	3.7
143.03479	2.3
143.11909	25.4
147.04466	4.7
149.04547	1.7
153.09189	4.7
153.10339	2.8
155.11905	1.8
157.13445	8.2
161.04558	5.9
167.04755	1.4
169.09865	11.3
172.10878	1.8
179.05627	2.6
179.10721	3.4
183.11430	3.5
186.12521	8.4
187.10838	12.0
190.02776	2.0
191.10771	2.5
197.16635	2.2
200.14076	5.0
201.12445	4.4
203.10788	4.9
206.68951	1.4
208.13405	9.1
214.15614	2.4
221.11807	13.6
225.16051	3.4
235.08202	1.6
238.19289	1.8
239.09212	1.9
256.20267	24.7
257.20511	2.1
270.21848	4.6
282.18198	1.8
283.06216	2.3
313.10941	3.5
313.22299	7.7
341.11176	1.8
357.21414	66.9
358.21609	5.1
366.16608	5.4
371.22958	13.4
383.23056	3.5
401.18893	6.7
401.24054	100.0
402.24341	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	401.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	58.3
61.98825	14.0
68.23309	4.7
71.01386	36.7
71.45247	4.9
73.02937	7.4
73.04047	4.6
83.01417	7.8
85.02957	9.8
87.00882	8.1
89.02454	25.6
99.00885	4.6
99.04508	21.0
101.02442	16.1
107.84420	4.2
109.06645	4.6
110.17070	4.5
113.02448	10.7
117.03477	14.0
119.03513	7.9
121.02978	6.2
125.09689	11.3
130.06215	12.3
130.08722	6.2
133.71384	4.1
135.04520	16.9
136.07664	17.3
137.09779	4.6
161.02483	11.8
161.04596	7.8
161.34631	4.2
163.04048	8.3
165.05501	4.5
175.11481	4.9
177.01987	8.8
177.05617	5.9
177.12843	5.5
178.02699	8.8
179.03520	8.0
179.05577	4.9
179.08307	14.7
181.08385	4.7
187.48018	5.3
203.10852	9.0
221.11734	29.4
252.05513	4.4
266.06979	10.9
268.03882	5.9
269.04514	8.0
275.07672	5.1
281.04523	11.0
281.09320	16.2
282.05365	6.4
283.06122	59.2
283.09070	7.5
301.67697	4.6
311.05600	89.2
312.05786	9.8
313.11987	5.6
323.05658	11.1
325.08383	10.2
325.12009	6.6
341.06744	27.4
341.10428	5.8
359.20920	5.0
369.06989	7.0
401.08832	100.0
401.17889	15.6
401.22202	12.5
402.09174	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	402.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85490	14.3
52.42044	13.6
53.42744	15.9
53.93265	15.1
57.40873	12.9
59.01366	56.6
61.98815	100.0
67.84190	14.7
109.02916	17.4
109.53002	14.5
119.76797	16.5
313.10904	24.8
315.16263	17.7
326.14694	19.6
344.12540	33.8
359.14993	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86231	30.9
59.52182	41.2
61.98803	41.1
70.43449	63.6
72.60315	35.7
97.93339	35.5
103.43919	43.0
106.09750	37.9
115.94567	43.7
116.35911	35.7
130.36014	40.3
140.55643	38.6
149.01541	36.6
184.67426	37.1
195.54622	35.4
329.13843	100.0
331.88660	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43256	1.1
59.01378	28.2
61.98831	6.5
62.11329	1.1
71.01387	5.0
71.05022	1.5
73.02962	3.1
74.02486	1.3
75.00887	1.3
85.02943	2.0
87.00866	1.5
89.02446	3.2
101.02444	3.1
108.04549	1.8
109.02985	1.5
113.02441	2.2
116.05094	2.8
116.92866	2.4
120.04597	1.4
122.06116	6.7
123.08107	1.4
130.03001	2.1
130.08646	6.9
131.03786	2.4
132.04549	12.2
134.06160	1.4
143.11909	4.4
143.76302	1.2
146.06038	1.7
147.03247	3.3
148.04063	3.4
150.05573	4.2
158.02455	7.4
160.04044	7.3
161.04707	2.2
162.05663	2.6
175.02737	3.1
176.03548	14.4
176.07114	1.7
183.09370	1.7
184.07716	3.3
190.05072	14.9
191.05807	2.2
192.06635	1.3
197.11781	2.5
200.14015	3.5
204.02930	6.1
204.88953	1.2
206.04462	1.7
209.07159	1.8
210.67740	1.3
211.12245	2.8
212.05817	3.1
212.10817	2.6
213.06657	2.1
215.11911	3.1
220.02449	1.3
221.76891	1.3
223.08670	2.9
223.13394	4.0
224.07376	1.8
224.09465	8.0
225.08154	2.2
225.72208	1.4
226.07458	2.3
227.08333	6.0
227.12883	4.7
234.04128	3.7
235.05017	1.9
239.04597	1.8
239.08257	2.5
239.11877	20.4
240.10254	5.4
241.10100	5.3
241.14444	2.0
243.11436	2.8
252.05353	1.9
253.06178	19.9
253.09738	2.2
254.06657	2.4
255.07774	2.8
255.11458	5.3
256.09763	1.4
265.09967	2.2
267.07703	7.8
268.08530	7.8
269.09293	2.0
271.07175	2.8
281.09363	5.6
283.10873	46.7
284.11249	3.7
287.10379	1.6
287.14975	15.1
294.06451	1.9
309.08826	21.6
310.08911	2.0
315.13794	2.2
327.09845	55.2
328.10220	4.5
330.74445	1.5
340.39371	1.3
341.11395	3.1
353.07620	4.2
359.12564	6.8
360.23782	2.5
371.08844	50.0
372.09216	5.0
373.18274	1.4
385.10443	3.6
403.11450	100.0
403.18958	17.0
403.23544	6.0
404.11774	10.6
404.19672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
58.62347	1.3
59.01381	29.2
60.01705	1.7
61.98839	7.7
71.01380	6.3
71.05027	1.5
71.46535	1.2
73.02939	1.7
73.04036	1.3
85.02946	1.8
86.20815	1.2
87.00854	1.2
89.02453	4.4
98.67068	1.1
99.04525	1.3
101.02452	1.4
108.04585	1.8
108.33762	1.5
113.02430	1.7
116.05061	3.1
116.92869	1.9
119.03532	1.6
122.06127	7.5
130.02974	2.4
130.08762	11.3
131.03766	1.5
132.04532	11.7
134.06108	2.0
143.11899	7.8
147.03241	3.9
148.04018	2.5
150.05591	3.9
158.02451	7.1
159.03206	2.0
160.04042	5.8
162.05600	3.8
174.05545	2.1
175.02748	3.4
176.03500	13.6
176.07140	1.9
184.07790	1.7
190.05089	15.2
197.11839	2.6
199.08612	1.7
200.14030	3.0
204.03033	4.3
209.07187	1.9
211.12450	4.1
212.05841	3.0
212.10944	1.8
213.06699	1.3
215.11931	3.9
223.08751	2.4
223.13451	4.2
224.09515	8.2
225.06526	1.5
226.07552	2.3
227.08220	4.1
227.12891	5.7
234.04016	3.1
235.05026	1.8
239.04614	1.3
239.08116	2.7
239.11867	18.9
240.10281	5.1
241.10095	5.7
241.14394	2.9
243.11281	1.9
250.07582	1.7
251.12747	2.0
253.06148	18.2
253.09941	2.0
254.06697	3.2
255.07773	3.5
255.11470	6.2
265.09888	2.4
266.07159	1.9
267.07773	5.9
268.08469	11.6
269.09195	2.7
269.13940	1.9
271.07214	1.8
281.09305	7.0
283.07785	2.5
283.10889	45.1
284.11633	2.2
287.14981	21.6
288.15384	2.3
294.06458	2.9
297.05191	1.4
309.08813	20.5
311.06613	2.2
315.13416	1.6
327.09839	63.8
328.10141	6.5
341.11295	5.2
343.21194	1.8
353.07632	3.1
359.12692	7.4
361.21893	1.6
363.88855	1.6
371.08813	54.0
372.09164	5.1
373.18530	2.4
403.11447	100.0
403.18967	18.8
403.23575	8.9
404.11789	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40214	0.6
55.01871	0.8
57.03449	1.2
58.00592	1.0
59.01377	71.6
60.01713	1.0
61.98837	5.0
67.05547	1.1
67.55212	0.5
69.55614	0.6
70.68507	1.4
71.01379	36.0
72.23846	0.6
72.99324	1.0
73.02950	1.1
83.01382	1.6
85.02943	7.2
87.00870	1.1
89.02441	45.4
90.02770	0.9
90.91734	0.6
95.01370	2.4
97.02966	0.6
99.04513	6.2
101.02438	17.8
111.04519	1.3
113.02451	14.6
119.03500	17.9
120.03876	0.6
124.05264	2.8
131.03488	1.9
135.11807	4.7
143.03493	2.4
144.69116	0.6
149.04535	2.1
161.04556	2.2
161.09694	3.6
179.05600	7.3
179.10767	37.3
180.11131	1.8
205.08694	1.0
223.09744	100.0
224.10110	6.1
225.16611	0.7
396.74768	0.6
403.16083	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	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.93230	0.8
55.01874	1.6
57.03450	4.7
59.01380	82.7
60.01726	1.4
61.98816	2.0
62.92321	0.7
70.97708	1.2
71.01379	22.0
73.02958	7.1
78.77979	0.8
83.01378	2.7
83.05044	1.0
85.02946	7.6
87.00862	5.4
89.02437	10.8
95.01393	2.0
97.06611	1.2
99.04531	2.4
101.02448	13.0
113.02457	10.0
119.03515	3.6
119.08669	2.4
121.06586	0.8
131.03491	1.0
135.08092	0.8
135.11795	0.8
137.09718	5.7
143.03534	1.0
159.03014	1.0
161.04555	7.7
161.09705	4.0
163.07631	1.6
179.10794	4.4
181.08704	11.5
197.11829	44.0
198.12170	2.9
205.12375	0.8
220.06111	2.1
223.09729	4.5
241.10808	100.0
241.14267	3.6
242.11194	7.2
253.06062	0.7
265.10568	0.8
283.11707	2.2
314.37769	0.7
343.17560	1.8
403.20233	12.4
404.19864	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
53.79858	1.0
57.03440	3.9
59.01378	84.4
59.17183	1.1
61.98819	2.7
65.02541	1.0
71.01380	16.7
73.02940	6.2
74.02464	1.5
83.01395	4.7
83.05003	1.4
83.14268	1.0
85.02937	6.6
86.03306	1.1
87.00887	2.2
89.02438	11.7
95.01377	1.8
98.22698	2.6
99.04514	2.6
101.02431	9.4
113.02475	7.5
117.73877	1.1
119.03534	2.4
119.08662	2.9
122.06139	2.0
132.04572	4.5
133.10251	2.0
135.11938	1.3
137.09753	3.5
160.04047	2.4
161.04611	2.1
161.09790	3.3
163.07683	1.6
176.03612	2.6
179.05658	1.3
179.10806	2.8
181.08693	10.5
181.24786	1.3
185.08435	1.1
190.05147	4.1
192.06683	1.6
193.83371	1.2
197.11824	38.7
198.12201	2.7
204.02982	1.2
223.09787	3.5
223.13246	1.7
224.09653	3.6
226.07249	1.4
227.08247	2.0
227.96149	1.1
239.11815	7.8
240.10182	1.2
241.10820	100.0
242.11160	6.9
253.06293	5.2
254.06761	1.5
255.11447	2.0
268.08597	3.5
281.09427	4.3
283.10910	18.5
284.11456	1.8
294.06610	1.6
309.08749	8.9
327.09900	17.8
359.12671	1.5
371.08820	19.0
372.09106	1.4
403.11539	37.2
403.19788	37.8
404.11768	4.7
404.20142	2.8
412.15884	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98829	33.6
69.05585	7.1
69.05992	7.7
71.01376	5.3
77.54305	2.4
96.65897	2.4
101.02409	2.8
113.02390	3.2
142.06165	2.3
161.04565	9.0
166.06354	16.2
167.03453	3.1
181.08711	14.3
204.93384	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	403.1971
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01887	4.9
57.03444	6.0
58.00602	0.8
58.02969	7.7
59.01378	77.8
60.01703	0.9
61.47058	0.6
61.98825	2.5
66.03477	1.0
69.03467	1.6
70.02964	0.6
70.24680	0.5
70.28133	1.0
70.61561	0.6
71.01379	75.8
71.05046	1.2
72.00912	1.3
72.01752	1.4
72.99323	1.8
73.02940	23.7
73.04070	0.9
74.02471	17.9
75.00870	1.5
81.03454	0.7
81.04575	1.7
82.02991	2.0
83.01383	9.8
84.04548	0.7
85.02949	33.2
86.02473	6.8
86.06137	1.5
86.99100	1.2
87.00877	12.0
87.04525	1.0
87.05631	6.3
88.04032	1.0
89.02444	30.4
90.00181	1.5
92.15227	0.6
95.01390	5.9
97.02962	2.3
97.04084	1.8
97.06588	1.4
97.46966	0.6
98.06123	0.6
99.00874	7.1
99.04558	4.8
99.05634	15.1
100.00359	0.9
101.02444	58.5
101.07202	2.0
102.02806	0.7
102.05610	2.3
107.06155	0.7
109.02969	0.7
109.04071	2.3
109.07726	0.9
110.02563	0.8
111.00877	1.7
111.05621	0.9
112.04052	2.0
113.02451	29.2
113.06103	0.9
113.07236	0.7
116.01785	1.6
119.03507	14.2
123.05650	1.9
123.08151	1.2
124.04045	1.8
125.02438	1.7
125.03584	2.0
125.06092	2.0
127.05132	2.9
128.03540	40.0
129.01944	2.4
129.10370	1.2
129.99734	0.8
130.08769	2.1
131.03522	1.3
131.04648	1.2
135.04608	1.2
135.05684	3.6
136.05289	1.2
137.07230	1.2
137.09746	2.6
139.05133	0.7
139.07690	1.2
141.06705	5.0
141.09186	1.0
143.03545	3.5
143.04613	58.9
143.11906	0.7
145.02942	1.6
145.06192	2.7
146.03484	1.1
146.04584	4.9
148.04391	0.7
149.04584	0.6
151.07608	2.1
151.11290	0.8
152.08444	0.7
153.06682	3.0
153.09235	1.4
153.12810	1.4
155.08287	1.6
155.11899	0.7
159.02998	6.1
160.00742	15.0
161.04567	28.5
161.09758	4.1
163.11313	1.1
164.08440	0.8
165.09216	1.2
166.09843	3.1
167.04639	4.0
167.08273	1.9
167.10670	0.7
169.08698	1.7
171.04173	0.9
175.11330	1.2
177.03401	5.0
177.12834	1.1
178.10133	0.6
179.04526	9.3
179.05994	0.8
179.10800	2.5
180.07819	1.2
181.06189	1.4
181.12386	1.3
184.10869	0.7
185.05721	2.4
185.16557	0.7
187.11259	0.8
191.10767	0.8
192.07849	0.9
193.12296	1.3
195.13962	1.0
197.05705	1.0
197.11710	0.6
198.08812	1.5
205.12381	4.2
210.08832	10.2
211.13371	4.0
213.03375	0.8
223.13374	6.8
241.14442	43.6
242.07848	1.8
242.14760	2.7
242.18672	1.1
254.07811	16.0
272.06000	1.3
272.08893	24.0
288.06577	8.0
306.07639	80.4
313.16504	1.8
327.09830	0.7
359.17172	1.2
373.20691	1.2
403.19711	100.0
404.15170	0.9
404.20071	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	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98735	23.8
59.01361	67.7
61.98826	100.0
69.13077	55.7
69.13479	93.8
85.15458	24.1
93.71409	25.9
103.01511	27.2
111.04472	23.6
200.52509	25.6
205.09300	23.0
222.65971	25.1
225.26016	25.1
234.98517	27.0
248.19897	28.3
278.82608	25.4
418.95395	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21590	25.7
57.01160	27.9
59.56308	24.5
61.98831	100.0
65.01428	33.1
69.85320	62.2
69.85675	54.4
83.25430	28.1
85.96303	26.1
87.00877	50.0
98.22589	40.8
112.71542	26.3
213.72296	27.3
235.76302	27.3
347.25571	31.3
349.59573	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	40.2
61.98833	100.0
71.44032	39.8
78.95903	62.5
81.06525	35.0
95.91350	32.0
98.22443	35.7
113.38663	32.7
118.34589	31.6
137.07330	31.7
151.16872	31.2
152.99648	83.5
210.41650	31.1
284.19537	36.2
413.04648	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50141	33.9
51.24560	40.9
51.32092	33.5
51.38460	40.4
59.01390	42.0
61.98813	100.0
71.43951	50.6
74.43015	35.0
74.71855	37.3
95.45925	34.0
96.59079	33.8
96.69863	43.0
98.74420	35.8
105.04302	34.7
112.95982	34.0
274.81354	45.1
304.31412	36.7
384.36661	42.2
398.65585	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26160	0.4
55.64618	0.5
57.03439	0.7
58.00580	1.6
59.01386	7.5
61.98817	1.6
71.17220	0.5
71.21269	0.7
73.02943	5.3
85.97808	0.5
97.06569	0.9
110.27416	0.5
111.08152	0.7
113.09749	0.6
123.08174	1.0
125.09721	7.0
127.10364	0.6
127.11298	8.5
129.97891	0.4
137.09711	1.2
141.09201	0.8
143.10773	3.2
153.09193	1.2
155.10768	6.0
157.12337	2.0
165.09142	0.8
171.10265	10.5
172.10577	0.6
201.11330	4.6
238.41257	0.4
253.21617	0.8
263.20154	6.0
279.19620	2.2
281.21219	32.9
282.21457	3.4
295.19034	0.9
297.20688	13.9
298.21054	1.1
299.22263	100.0
300.22549	8.4
313.20319	1.2
315.21756	18.8
316.22141	1.1
325.20209	5.9
336.81354	0.5
343.21240	94.8
344.21640	9.7
361.22296	62.3
362.22702	5.2
403.23352	86.4
404.23648	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	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	12.1
61.98822	7.0
71.42472	7.4
71.42847	7.4
78.18886	6.8
79.38625	6.2
91.04021	14.9
126.27250	5.9
171.10298	11.2
185.47568	6.4
211.13391	24.5
219.41702	6.1
229.14447	12.2
308.11423	5.9
311.22296	10.0
329.23340	100.0
338.84009	6.9
376.12427	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	403.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01579	16.0
59.01389	23.7
61.98816	80.1
63.89002	16.6
69.24518	96.9
74.56123	14.9
81.14895	17.1
85.00439	100.0
90.49334	16.5
98.22589	34.9
109.20846	22.2
109.79699	16.7
116.92860	18.3
119.00516	17.1
132.11862	16.6
141.01712	19.0
152.24486	16.4
177.34897	17.5
220.10738	19.9
297.51114	18.1
395.49332	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	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18438	0.8
59.01373	5.7
61.98827	43.2
65.05007	0.9
69.57503	1.1
69.57845	2.3
71.01377	2.8
89.02444	3.2
101.02431	0.9
116.88350	0.8
119.03492	1.3
133.02946	18.2
135.04521	6.5
161.02440	100.0
162.02759	5.2
177.05484	1.4
179.03474	18.8
203.03517	2.4
225.82312	0.8
232.27988	0.9
238.13251	0.9
243.74358	0.8
251.05559	1.0
281.06680	1.5
291.09198	0.9
341.08749	45.3
342.09201	4.5
361.73523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19529	0.9
59.01375	5.8
61.98829	100.0
69.32904	4.2
71.01383	3.9
84.07487	0.9
87.00922	1.4
89.02447	3.5
101.02438	1.7
113.02454	0.9
115.00350	1.0
119.03463	1.2
123.40290	0.9
133.02942	13.1
135.04507	5.2
161.02441	71.0
162.02820	3.5
175.02492	5.8
179.03490	17.5
180.03850	1.5
181.08589	1.0
182.09081	1.4
203.03525	2.6
221.04340	0.9
281.06577	2.5
311.88910	1.0
341.08755	42.1
342.09048	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	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70794	0.9
59.01382	6.6
61.98830	39.4
69.57738	2.1
69.58117	1.7
71.01382	2.7
89.02438	3.4
95.23748	0.9
98.21930	1.7
101.02454	0.9
113.02421	1.4
119.61198	0.8
133.02956	17.1
134.03313	1.2
135.04532	7.4
161.02441	100.0
162.02785	4.5
175.04015	1.0
177.05539	1.9
179.03494	18.8
203.03535	1.5
281.06628	1.3
341.08759	45.4
342.09067	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	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98829	100.0
85.45586	0.6
98.21883	2.1
98.56770	0.7
139.78847	0.7
216.13074	0.7
228.96416	0.8
344.11716	0.8
385.36194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
59.99570	0.3
61.98829	100.0
71.44486	0.3
72.89252	0.3
78.95918	0.5
84.96853	0.3
89.02448	0.4
98.71277	0.3
119.37651	0.3
119.94981	0.3
125.72626	0.3
126.98894	0.3
130.08759	0.8
131.08250	3.3
131.09106	0.4
147.96576	0.9
155.40016	0.3
168.54176	0.3
173.10405	1.6
184.07553	0.3
196.05782	0.5
214.02382	5.2
231.04935	3.6
310.13937	0.4
369.18658	0.9
405.16199	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98827	100.0
69.32826	4.3
90.78923	0.7
116.92886	0.7
117.20654	0.7
323.30600	0.8
330.03439	0.9
369.12259	1.0
383.95789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74292	0.7
59.01381	4.5
61.98829	100.0
69.70940	1.0
141.51076	0.8
181.27061	1.0
306.33279	0.8
404.14160	0.9
404.20493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31876	0.6
59.01368	3.0
61.98827	100.0
70.65408	0.9
117.15119	0.5
130.10110	0.7
130.65881	0.6
182.28944	0.5
233.04486	0.5
236.88710	0.6
291.28500	0.7
383.74493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06102	1.8
58.45544	1.7
59.01370	5.8
61.69421	1.8
61.98828	100.0
63.22387	1.6
65.88455	1.7
69.95206	4.0
69.95550	1.9
75.66496	1.9
98.21891	3.1
136.37877	1.8
162.44374	1.9
179.07088	2.5
180.07552	2.1
343.29593	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	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.74022	1.2
58.02974	9.2
59.01381	21.7
60.01707	1.8
61.98808	0.9
64.03845	1.0
66.03487	0.9
69.24167	0.9
70.02969	1.0
70.42905	0.9
71.00257	1.1
71.01377	10.4
72.00910	2.2
72.01723	1.5
73.02940	4.1
74.02473	17.8
78.91914	5.1
82.02969	1.9
83.04977	1.3
85.02942	4.3
86.02495	6.8
86.06117	1.4
87.00887	3.3
87.05648	5.1
88.01231	0.8
89.02471	5.8
90.00200	1.8
95.01406	1.4
97.04063	2.1
99.05643	14.9
101.02460	7.1
101.07203	2.0
102.02737	1.9
102.05598	2.2
107.08166	0.9
109.04052	2.1
111.05655	1.4
112.04039	2.6
113.02451	3.7
114.02766	1.2
116.01763	1.5
119.03474	2.3
123.05611	1.7
124.04061	1.5
125.03584	1.0
127.05125	3.1
128.03543	47.8
129.03842	1.3
131.04628	1.5
135.04578	1.2
135.05623	3.8
136.88060	0.9
137.07172	1.2
137.09628	0.9
140.67957	1.0
141.02936	1.1
141.06696	4.1
143.04628	61.2
144.01216	1.3
144.05023	1.1
145.06166	2.6
146.04582	4.3
146.34030	0.9
153.06696	5.1
160.00731	17.5
161.04465	1.1
166.09894	2.2
167.04634	4.2
167.08281	1.3
170.37683	1.0
177.03377	7.1
179.04564	11.9
180.29419	0.8
180.43370	0.9
181.06155	1.3
184.10957	1.1
185.05656	2.5
189.43944	0.9
197.05629	2.8
201.14296	1.1
210.08823	12.2
241.14513	7.2
242.07770	2.4
242.14804	8.9
254.07819	19.1
255.07980	1.3
272.05991	1.9
272.08893	30.5
288.06622	10.7
306.07648	100.0
307.07919	6.6
403.19629	1.6
404.15671	1.1
404.20044	26.5
405.19955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76416	0.5
50.90719	0.5
52.20409	0.5
57.03440	1.2
58.02965	0.9
59.01379	23.1
61.98827	5.6
69.66348	2.0
71.01380	17.8
72.99323	1.0
73.02928	2.5
73.04071	0.6
74.02469	3.3
75.00859	0.9
78.91878	2.2
78.95900	1.3
82.99033	0.6
83.01385	1.2
85.02941	3.8
87.00872	14.8
87.05646	0.6
89.02439	8.1
95.01373	1.3
96.95993	0.8
96.96921	0.7
98.21958	0.8
99.00883	1.0
99.05625	1.9
101.02447	5.3
103.05162	0.6
105.01978	0.9
113.02458	4.5
113.03556	0.7
115.00375	31.7
116.00735	0.9
119.03506	3.0
122.06109	1.5
127.00441	0.7
127.05088	0.8
127.08813	0.6
128.03520	2.7
129.03806	0.5
129.10347	0.8
131.03571	0.6
139.99380	2.0
143.04640	3.7
143.11911	0.5
144.04988	0.8
145.06219	0.7
153.06757	0.5
155.01711	1.8
160.00798	0.6
161.01184	0.7
161.04558	2.8
164.07094	0.7
171.07820	3.3
174.05569	0.9
175.02480	100.0
176.02873	3.9
192.06696	0.7
193.05031	2.4
207.06664	0.7
211.09094	0.6
218.06390	0.5
222.07675	1.0
223.08629	0.7
233.04655	1.3
233.09314	0.5
241.01181	0.8
243.08307	0.8
251.05618	0.6
253.67296	0.6
255.08307	0.7
271.08258	0.9
272.08780	1.1
273.09152	1.1
289.12082	0.6
306.07755	2.7
307.07919	4.4
308.07510	1.0
309.06137	0.8
361.14511	0.7
367.15936	0.8
404.20169	1.1
405.06168	1.6
405.13034	1.4
405.16977	4.6
405.21661	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.1
57.10393	4.6
58.42184	4.5
59.01377	85.7
61.98818	39.7
69.40293	17.6
71.01380	28.1
73.02937	11.0
75.00890	28.0
89.02425	15.5
97.06587	5.8
99.04541	5.1
101.02435	18.0
121.02934	6.4
127.05133	6.8
129.10368	6.1
130.08768	6.7
134.03677	5.2
135.04539	14.8
135.34575	4.7
149.02391	11.1
150.03218	70.1
153.01942	6.1
163.03990	15.9
164.07202	10.2
165.01872	6.3
165.05585	14.0
193.01424	12.1
194.02179	48.7
199.13370	5.9
207.02986	49.0
207.10226	6.1
208.03716	15.3
209.04549	100.0
225.11342	7.1
243.10117	5.1
243.12393	22.3
251.62886	6.0
267.12439	5.7
276.33801	5.8
281.09476	5.4
291.93930	5.3
334.17874	5.2
345.22366	5.4
362.17068	8.7
363.24179	10.3
401.97595	5.8
405.16779	18.1
405.21719	11.9
405.25281	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
59.01379	100.0
61.98830	68.1
69.03462	2.4
71.01376	8.4
71.02518	2.2
71.05002	1.1
73.02940	6.1
73.04076	1.4
74.02481	3.1
75.00880	3.6
83.01414	0.8
85.02946	2.7
85.87611	0.9
87.00866	1.4
87.05671	1.5
89.02440	7.5
99.05610	1.8
101.02440	7.5
106.48911	1.0
113.02435	4.6
116.64780	0.9
119.03511	2.9
125.09743	2.4
127.05114	1.0
130.08722	8.5
139.11302	7.1
140.90125	1.0
143.04576	2.0
147.04585	1.3
157.13475	2.2
161.04517	2.7
164.07120	3.3
166.02713	1.3
177.03387	6.6
181.05061	1.1
181.12335	1.5
182.64407	0.9
183.10245	50.4
184.10529	1.8
186.12411	1.1
199.13432	1.8
201.12480	1.1
214.15556	1.2
225.11346	3.4
243.12379	18.1
264.25269	0.9
285.12595	1.8
311.10406	2.4
325.00040	1.0
329.11292	3.2
342.23935	2.6
345.15390	1.6
357.13428	2.8
379.43335	1.0
388.18304	1.3
405.13010	1.4
405.21347	22.4
405.24945	1.8
406.21570	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
59.01377	29.7
61.98814	1.7
64.26380	0.4
68.39396	0.4
69.03461	0.7
69.68678	1.5
71.01369	2.7
73.02942	2.1
85.02941	0.9
89.02426	1.5
101.02449	1.4
101.07204	1.0
110.87598	0.4
113.02442	1.5
118.06615	1.0
121.10300	0.5
122.35779	0.4
122.67075	0.4
127.05128	1.6
127.63786	0.4
129.05611	0.5
130.08739	4.0
130.37474	0.4
133.29837	0.4
137.09787	0.5
139.11292	17.0
140.11615	0.9
145.06226	0.5
161.04663	0.6
163.11325	1.2
165.09225	1.3
173.47986	0.4
181.12335	11.1
181.13911	0.8
182.12663	0.6
183.10258	21.6
184.10628	1.2
199.13406	6.9
214.08739	1.3
225.11331	6.3
227.13193	0.4
243.12370	100.0
244.12726	6.9
257.09317	0.7
267.12347	0.4
285.13455	2.5
388.18701	1.6
405.17352	6.6
405.25482	0.8
406.19928	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01380	29.2
61.98827	2.6
69.89879	1.2
69.90260	1.1
71.01381	3.9
73.02950	4.1
73.04036	0.6
75.00852	1.9
82.52013	0.5
83.01389	1.2
83.05019	0.6
85.02953	1.3
87.04543	0.6
87.05614	0.9
88.61214	0.5
89.02454	2.5
95.01395	0.7
95.05007	0.5
98.22585	0.6
99.00873	0.6
101.02459	2.7
105.03873	0.5
109.06569	0.7
113.02448	3.2
117.67870	0.5
119.03479	0.9
129.05626	0.5
130.08745	2.0
134.85152	0.5
137.09766	0.6
137.10971	0.5
139.11292	13.9
141.10333	0.5
147.04472	0.4
161.04454	0.7
163.11299	1.5
164.07199	1.4
167.00478	0.5
181.12350	10.0
182.12718	0.8
183.10252	16.0
184.10625	1.1
199.13414	6.0
207.10246	2.7
211.33696	0.5
225.11333	11.2
226.11607	0.5
243.12361	100.0
244.12630	5.8
249.11342	1.3
267.12271	1.5
285.13513	3.4
297.71198	0.5
329.11069	1.0
361.23215	0.5
373.09915	0.5
388.18896	0.7
405.12375	1.1
405.17285	1.7
405.20905	1.7
405.25623	8.0
406.25314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.3
61.98829	57.6
70.95532	4.3
71.01384	15.4
89.02449	13.4
101.02465	8.7
113.02472	5.7
119.03500	4.1
119.50668	3.7
149.30779	3.9
163.11276	5.0
171.97842	4.3
180.77734	3.5
181.12321	39.0
213.48418	3.8
225.11314	100.0
226.11508	5.6
269.05756	3.9
405.17456	29.0
406.18015	3.7
411.33466	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
59.01380	62.2
61.53040	2.8
61.98824	6.9
68.23958	2.3
69.36502	3.0
69.36848	12.5
71.01383	45.0
72.65059	3.0
79.91956	2.7
83.22099	2.5
85.02940	7.8
87.41014	2.2
89.02442	25.5
101.02440	14.3
113.02415	6.6
117.28025	3.1
119.03488	9.4
120.94020	3.0
149.13855	2.8
153.12898	2.8
162.82809	2.8
199.13376	6.3
225.14890	3.3
319.82425	2.7
405.21228	100.0
406.21527	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.99342	14.5
59.01376	38.8
61.98841	20.4
71.42423	14.4
74.34557	13.4
75.99630	13.6
79.33736	12.4
140.25311	15.1
172.95676	13.1
179.33649	16.5
218.29526	15.3
242.43645	15.4
303.28833	14.6
405.21375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
57.03448	1.0
59.01379	36.4
61.98543	0.6
61.98832	6.5
71.01012	0.7
71.01383	11.4
72.99297	0.5
73.02944	1.2
73.04068	1.0
75.00870	0.5
83.01383	1.3
85.02932	3.0
89.01933	0.7
89.02443	7.8
91.01891	1.6
95.01390	0.9
96.00909	4.6
97.04039	0.7
98.21888	1.0
99.04519	0.5
101.02450	7.4
109.02948	1.2
113.02445	3.6
113.03583	2.3
116.05022	0.5
119.03500	2.4
119.05027	0.6
125.09705	0.8
129.10350	1.0
130.06192	0.5
130.08736	2.4
135.00874	4.5
153.01939	3.9
161.04591	0.9
164.07152	0.9
171.11504	0.5
183.13914	0.7
186.05516	0.8
216.06517	0.5
216.13805	0.5
225.14952	5.6
243.06747	0.6
243.16017	11.2
244.16530	0.5
261.74017	0.4
297.06079	0.8
300.74310	0.5
337.03146	0.6
345.19443	0.6
362.17279	0.6
371.16364	2.1
376.18503	2.5
387.20300	1.5
388.19031	1.5
397.63342	0.5
405.21268	100.0
406.21658	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.67879	2.7
59.01380	67.7
61.76341	2.8
61.98821	7.3
63.48462	2.8
68.89117	3.0
70.46040	2.7
70.81969	4.4
71.01382	42.6
78.07066	2.7
83.01389	2.9
85.02928	6.3
89.02438	32.6
101.02433	13.6
113.02435	11.0
119.03480	10.3
119.55653	4.0
129.49380	2.9
153.12811	4.9
183.98349	2.8
217.33408	3.8
223.13358	3.7
225.15166	3.0
230.42314	3.0
238.91664	3.4
405.21204	100.0
406.21506	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	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61796	21.3
56.46141	24.1
61.98832	65.0
69.38761	100.0
114.00753	24.1
192.64815	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.31052	31.4
64.33372	39.9
67.40959	33.5
87.24148	31.9
193.45757	33.1
198.12744	41.8
198.43213	36.5
270.90405	44.0
290.79706	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.7
61.98819	69.2
69.40126	100.0
107.39748	20.9
119.93784	21.4
119.94688	35.9
152.99609	26.9
199.23869	22.0
241.06435	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66896	30.3
61.98828	39.7
69.15829	100.0
69.16222	71.3
73.29861	31.4
81.16850	29.0
87.00893	59.4
90.65865	29.2
92.10276	30.3
95.65617	34.0
98.21900	77.0
100.76990	29.7
178.81970	28.9
285.17490	31.3
399.50375	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.8
58.00595	2.0
59.01381	29.8
59.40175	1.1
61.98829	8.9
71.01388	8.1
71.05022	11.5
73.02940	7.2
73.06612	1.3
74.42481	1.0
75.00869	3.0
78.95937	0.9
83.01396	1.3
83.05017	1.8
85.02960	3.6
85.06617	3.0
87.04508	8.0
89.02448	3.6
97.02933	1.2
97.06611	3.0
99.00885	1.1
99.04532	4.6
101.02441	8.0
101.06086	13.8
106.16489	0.9
113.02466	3.5
115.07676	3.6
119.03503	1.7
127.11329	1.3
129.57634	1.0
130.08765	1.7
153.12796	1.2
155.78825	1.0
157.12289	1.3
157.98608	1.2
161.04666	1.4
169.12358	2.2
171.13968	3.2
183.10237	1.8
183.13913	1.5
187.13458	3.8
201.14929	1.7
217.14473	1.2
225.15134	1.3
226.39749	1.1
243.16028	1.0
257.17661	1.2
295.65317	1.1
341.27081	2.0
369.26611	2.0
385.25970	1.2
387.27490	42.4
388.27756	5.1
405.20370	15.3
405.28738	100.0
406.16849	1.2
406.21741	2.0
406.29080	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	406.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19165	1.0
54.01701	1.0
59.01378	7.0
61.98829	100.0
64.52747	1.0
69.88877	2.8
69.89211	1.1
82.64751	1.1
93.47260	1.0
93.68472	1.1
96.81306	1.0
98.21929	1.4
117.03425	1.3
139.47885	1.1
169.40224	1.1
223.13422	2.9
425.08746	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	406.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
59.01376	21.0
61.98830	12.2
71.01360	5.6
72.00896	4.6
73.02958	2.7
73.04044	3.2
75.00862	2.7
81.88153	1.3
82.02973	2.9
82.06619	2.1
85.02906	1.4
85.43169	1.4
87.59705	1.3
89.02404	3.7
91.05512	5.5
99.00855	2.4
100.04022	2.7
101.02417	5.4
101.07200	9.7
109.04036	5.4
112.04037	1.9
113.02399	2.2
118.06601	4.5
120.99563	1.4
123.03246	1.9
127.05138	18.7
128.03514	2.5
129.10336	10.5
130.08737	27.0
131.09042	1.3
136.11272	2.1
137.02409	3.9
139.08725	1.4
140.07117	4.9
145.06194	6.6
146.04547	3.2
147.04527	16.2
148.34148	1.3
164.07153	60.0
164.90604	1.3
165.07516	1.9
169.13446	2.4
171.10275	14.1
174.05573	1.7
179.11801	4.8
180.10306	26.4
181.05051	2.1
183.10229	2.4
185.11748	4.6
186.12411	2.6
197.12891	5.6
199.18141	2.7
214.08664	5.5
214.15553	6.2
222.12425	22.5
223.10820	5.5
223.12756	1.9
224.09209	4.0
227.12834	1.8
231.11214	1.9
233.16496	6.1
240.13406	4.6
241.11922	8.5
243.12451	7.1
244.12712	12.0
253.09222	1.7
257.09213	3.3
263.46088	1.4
267.12411	1.7
275.10095	2.1
277.15640	6.7
315.94678	1.6
344.19580	6.0
347.17615	1.5
381.03583	1.7
388.18793	37.3
389.19043	3.1
406.19623	100.0
407.16553	1.8
407.19855	8.4
407.26321	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	407.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
58.02965	0.9
59.01379	17.9
60.01710	0.6
61.98835	2.5
71.01379	7.7
73.02940	0.9
73.04078	0.9
74.02104	0.5
74.02470	2.9
78.91885	1.0
80.91682	23.9
84.04558	1.0
85.01437	0.7
85.02947	2.0
86.02454	0.6
89.02438	4.7
93.03466	0.8
96.00923	2.1
96.96012	1.6
98.02486	0.6
98.99389	0.8
99.05663	0.8
101.00954	1.0
101.02449	4.0
102.05614	1.9
113.02444	2.7
113.03598	0.6
117.00446	2.0
117.02631	0.9
117.03464	14.8
119.03605	2.3
119.05025	13.7
128.03532	6.2
129.03899	2.1
129.10338	2.4
130.04039	0.4
130.08755	1.7
130.10704	0.6
136.01680	0.7
138.09093	0.5
139.08734	0.5
141.00452	5.0
143.04567	3.2
144.04922	1.2
145.02956	100.0
146.03299	4.1
146.04500	1.1
147.04800	0.5
150.03163	0.5
151.03970	1.0
153.00479	0.6
159.04535	0.7
161.04559	2.1
161.06090	2.0
163.04004	13.9
164.04324	0.9
166.08673	1.4
171.01450	0.6
177.04115	0.8
177.05560	0.5
180.06662	3.3
183.01532	0.7
185.02202	0.6
187.04028	4.1
201.02557	0.6
203.02007	1.0
205.05077	1.4
210.08904	0.6
243.03574	4.6
243.96793	0.6
244.04036	0.4
245.03123	1.7
255.08214	0.9
258.09470	0.5
260.14774	0.7
265.07230	2.0
272.08829	0.9
273.09116	1.2
277.15576	0.5
278.15948	1.8
287.04144	1.8
293.15106	0.9
303.07205	0.7
308.07697	0.8
309.07675	1.9
325.09280	30.8
326.09625	2.3
329.14789	0.6
347.06216	4.4
347.17151	1.9
363.20999	0.9
373.14117	7.1
390.16891	3.7
407.11020	0.5
407.19800	9.5
408.18359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01379	27.7
61.53333	0.7
61.98829	3.1
63.16973	0.8
69.76580	2.0
71.01382	7.2
72.00901	1.9
73.02947	1.7
73.04061	4.1
74.02483	5.4
74.99079	1.0
75.00853	1.5
80.91682	3.1
82.06594	0.9
83.01398	1.5
84.13064	0.8
84.54002	0.8
85.02937	2.1
85.04107	0.7
87.05622	0.8
88.04037	3.3
89.02435	7.6
89.26668	0.8
93.03465	1.1
93.34758	0.9
96.00919	1.4
96.96023	1.4
98.02477	1.7
98.22557	1.5
99.04542	0.9
101.02448	5.6
104.03526	2.1
111.02003	1.1
112.02808	1.0
113.02444	2.1
113.03572	4.0
117.03464	15.4
119.03512	2.2
119.05019	12.6
122.96426	0.8
128.03574	1.0
129.10313	7.6
130.06221	0.9
130.08720	3.9
134.03735	1.5
136.01663	3.5
136.07632	0.9
139.08771	1.3
140.07159	1.9
143.11958	1.1
145.02953	100.0
146.03302	4.5
149.06094	1.1
150.03217	2.9
151.03999	4.7
155.08263	2.0
157.63335	0.8
159.04549	1.6
161.04544	2.5
161.05974	1.1
163.03993	15.4
165.05576	1.9
165.10316	1.8
166.08704	2.2
167.08253	1.2
172.92044	0.9
173.42848	0.8
179.05573	1.1
180.06653	15.4
187.03995	3.8
187.10910	0.9
195.06618	1.4
203.01935	2.1
205.05058	1.0
209.09244	1.6
228.10101	1.0
243.03886	0.8
247.14481	1.4
249.16112	4.4
265.07092	2.2
269.13126	1.1
271.14474	1.6
285.12369	1.3
293.15097	2.3
299.09320	1.3
325.09277	26.9
326.09583	1.9
335.29495	0.9
347.17078	4.4
349.82782	0.9
359.11243	1.8
371.22842	2.3
371.26962	4.0
373.14063	7.7
375.81393	0.8
377.18246	3.4
384.67493	1.0
390.16776	7.3
407.14185	2.3
407.19278	31.9
408.19275	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	407.1841
Annotation	Silafluofen
Peak:m/z	Relative Intensity
55.05198	6.7
56.36690	7.4
56.85669	7.0
57.03445	10.1
59.01172	6.4
59.01381	74.8
61.98831	81.0
65.30421	6.8
69.34944	7.8
69.57030	9.3
69.73062	7.3
70.69702	14.2
71.01384	23.0
73.02936	11.5
75.00855	13.2
79.82472	7.1
85.02942	9.6
89.02433	25.4
101.02443	21.3
113.02425	14.6
130.08731	39.6
131.09041	10.9
137.19627	7.3
147.04489	6.7
164.07205	8.9
210.25143	9.0
227.29350	9.1
245.17427	8.9
275.14886	11.8
287.18729	13.3
313.95215	8.1
330.81091	8.1
363.17410	16.8
407.18378	100.0
407.22321	8.0
407.26822	18.1
408.18695	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.19817	0.3
53.36298	0.3
69.14268	2.2
78.95901	100.0
80.62760	0.4
96.96958	7.9
107.86323	0.4
150.98003	1.3
152.99585	88.1
153.99947	1.6
171.00632	69.9
172.00995	1.4
208.38182	0.4
325.18423	0.5
336.05627	0.5
381.72217	0.5
385.91901	0.4
407.21912	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	408.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
114.98878	24.7
132.60889	10.9
134.04749	100.0
141.00443	15.9
144.99922	32.9
145.58763	9.2
150.34032	9.3
155.02008	21.6
155.58443	11.3
156.99971	15.1
162.98483	9.8
174.02722	11.5
193.40373	9.4
213.02538	39.2
215.52319	10.5
216.03732	34.0
216.05713	10.1
217.68237	10.8
234.04903	11.7
261.99451	10.4
265.03265	11.1
348.07895	91.3
349.08362	16.6
408.15155	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	408.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52909	25.0
59.78369	26.9
61.98833	37.3
69.49039	100.0
70.10619	25.0
78.95889	27.2
98.21935	48.8
262.76880	23.0
291.19745	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	60.5
69.68120	100.0
69.68491	91.3
81.57565	53.5
110.56564	56.9
114.13924	56.2
117.51127	59.0
142.79938	64.0
144.28926	59.2
155.05670	72.6
178.61795	62.1
222.23753	57.8
251.15524	60.9
291.19611	95.0
311.22083	87.3
315.61142	63.9
349.17151	71.0
357.29358	60.7
410.18546	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35786	0.6
50.96385	0.6
54.54234	0.6
59.01379	100.0
61.98828	2.6
67.20012	0.6
69.34311	0.9
69.34702	2.0
71.01382	16.3
73.02948	1.9
85.02947	3.2
87.00867	0.9
88.22649	0.6
89.02446	23.0
95.01430	0.6
99.00883	0.7
101.02444	10.3
102.86404	0.7
113.02459	8.0
114.32445	0.6
116.07240	0.8
119.03510	9.2
131.03502	1.1
143.03526	1.8
145.35176	0.6
161.04578	4.6
179.05617	10.1
257.05463	0.7
289.12387	1.7
305.16080	9.7
305.19162	1.0
315.09082	0.8
331.17734	1.4
349.19223	0.6
374.14520	1.0
391.17578	1.1
409.11813	1.3
409.16687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45852	15.6
57.23710	14.0
69.33852	40.0
69.35469	13.0
85.02967	32.1
97.02929	18.9
98.22635	28.5
99.92520	16.4
122.07155	17.5
140.55165	12.1
165.12694	11.9
171.10286	32.1
187.43945	12.1
193.08498	38.4
204.22658	13.2
207.10074	15.4
211.13452	25.4
233.11583	71.1
251.11452	19.5
323.38052	14.9
325.89658	14.4
326.10391	12.8
327.21872	34.7
331.18893	16.0
347.40878	13.3
349.19870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18384	0.3
70.88576	0.3
78.95902	77.4
90.60677	0.3
96.96962	7.2
123.12658	0.3
150.98029	2.0
152.99588	100.0
153.99896	1.4
171.00629	2.7
255.23256	2.3
409.23566	15.3
410.23972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
61.98811	0.6
62.96418	0.4
70.97812	0.3
78.95901	68.9
81.83332	0.2
92.92793	0.8
96.96963	6.6
96.97589	0.4
116.92857	0.6
119.93518	0.2
150.98003	1.5
152.99585	100.0
153.99901	1.6
171.00699	2.4
177.71786	0.3
242.49313	0.2
255.23337	2.2
267.66583	0.3
304.27383	0.3
382.42749	0.3
409.23560	16.0
410.24036	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	409.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68051	0.3
56.11670	0.3
60.43736	0.2
62.96399	0.3
69.40355	0.2
69.40710	0.6
69.41113	0.9
70.36701	0.2
73.16846	0.3
74.28297	0.3
74.87527	0.3
78.00924	0.2
78.95899	66.0
96.96953	5.0
120.36614	0.2
129.30788	0.3
129.79268	0.3
147.49588	0.2
150.98032	1.6
152.99579	100.0
153.99928	1.6
161.54404	0.3
163.11235	0.6
171.00647	2.4
239.10506	0.3
240.34044	0.3
255.23271	2.1
409.23557	19.1
410.23926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10033	42.8
58.33129	38.6
69.49487	85.0
69.49892	100.0
87.39709	35.5
89.08803	35.0
149.73193	36.3
293.99319	38.4
411.23343	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33023	25.2
61.98846	42.4
69.59339	100.0
72.12435	22.1
77.52731	24.3
78.97323	24.0
92.92814	55.1
94.92522	38.8
98.22559	49.8
114.52303	24.8
116.90533	27.6
141.29208	25.3
149.89871	32.5
231.69266	25.6
328.86517	28.2
348.37030	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50728	6.6
61.98822	17.2
68.01446	7.0
71.44786	10.9
72.97525	19.1
87.00871	100.0
89.54179	7.5
107.89740	6.7
111.30836	8.0
112.19892	6.8
118.89978	10.0
170.91083	7.8
266.72192	7.7
292.22711	11.4
348.19949	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	410.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13128	77.9
59.06181	80.6
133.21831	80.9
134.84663	89.1
166.78088	100.0
265.14691	86.3
287.95273	90.9
294.20346	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29879	16.4
61.98807	23.1
66.91699	16.4
69.21297	100.0
73.81636	18.6
78.55063	15.5
99.54369	15.8
119.31625	17.2
160.05745	16.2
215.21324	21.5
274.52573	18.6
301.30115	16.1
348.09940	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	411.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72780	100.0
82.60314	80.5
114.05597	77.6
187.30084	78.7
211.17126	79.9
329.58350	81.7
406.40527	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1269
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01392	3.8
61.55030	2.2
67.32843	2.2
72.00916	25.0
74.02470	23.8
80.09605	2.2
84.33985	2.7
100.00409	47.8
109.08462	2.2
110.65469	2.2
114.10931	2.3
118.05108	100.0
121.10464	2.2
127.34982	2.4
144.03036	39.1
160.02632	4.3
161.33488	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	411.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90428	2.9
55.01873	3.6
57.03440	9.5
59.01371	13.3
59.56217	3.0
61.98831	8.6
69.83096	11.1
71.01378	10.1
72.99284	4.9
73.04090	3.3
74.02466	4.0
78.95903	7.0
82.06345	3.1
83.01389	72.0
85.02957	6.4
87.04501	11.9
89.02484	3.7
93.04559	5.3
96.96935	4.6
99.00888	4.3
112.98798	6.4
117.00446	8.1
127.00358	17.3
153.07709	3.8
159.01686	5.6
159.02986	100.0
160.03317	3.7
168.01527	7.5
168.99870	3.9
170.97826	3.6
174.02582	17.6
187.10922	5.5
227.08759	6.2
230.98242	4.3
241.00536	3.6
243.12054	3.6
269.09900	40.9
270.10037	4.2
287.01257	5.5
350.93045	3.8
351.05579	4.0
351.15286	9.1
411.00940	3.6
411.11172	9.3
411.20007	9.5
429.02451	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	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
59.01381	62.0
61.98827	2.7
65.65905	1.4
65.71555	1.3
68.08587	1.3
69.77033	2.8
69.77415	2.9
71.01015	2.4
71.01380	33.7
72.99295	1.9
75.00871	2.1
78.77147	1.3
79.05526	2.7
81.03446	2.9
81.07085	4.5
83.01395	2.0
83.05044	2.8
85.02934	10.0
89.02438	26.5
93.07082	1.8
95.01375	3.6
95.05030	6.1
99.04481	2.9
101.02464	14.7
105.07095	2.0
107.04991	1.9
113.02452	23.9
119.03497	9.4
120.05822	2.3
143.03418	2.4
143.08636	1.8
145.06609	1.9
157.06604	3.3
157.57501	1.8
159.08134	2.7
159.11784	3.2
161.04582	4.5
161.13361	88.5
162.13666	6.6
169.10229	3.2
171.08232	2.3
172.09016	1.6
179.05655	2.5
185.09641	3.6
185.13313	5.0
187.11279	56.0
188.11627	3.2
203.14412	2.4
205.12328	100.0
206.12688	5.6
213.14853	1.6
229.12325	20.9
229.14442	2.6
230.12752	2.0
231.10130	1.8
247.13405	4.7
249.11310	88.4
250.11562	6.1
257.32898	1.6
259.13348	1.8
259.90997	1.9
291.12296	1.7
308.57098	1.5
411.15842	3.6
411.91055	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	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39335	4.7
59.01378	95.1
61.98832	7.7
69.31722	18.7
69.32143	7.3
71.01377	40.7
73.02947	5.0
75.00877	5.2
79.05551	4.7
80.09934	4.2
83.05041	6.4
85.02953	12.9
89.02448	34.6
95.05061	4.8
96.95961	4.5
98.22638	6.4
101.02438	21.4
105.23135	4.2
113.02441	31.1
119.03513	15.3
123.08179	5.6
130.08710	4.5
157.06647	6.0
159.08125	9.7
159.11786	5.7
161.13354	99.3
162.13635	5.2
178.71550	4.5
179.05652	8.6
185.13356	6.5
187.11276	65.7
205.12318	100.0
229.12314	27.7
247.13271	7.5
249.11293	71.4
299.24368	4.4
338.34869	4.3
343.19504	4.5
411.19846	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	411.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.7
69.26470	14.4
80.91666	15.2
81.67685	2.0
84.02122	3.1
96.86401	2.4
99.08165	4.1
99.92592	15.3
115.92146	3.1
165.12868	17.9
171.10242	12.1
183.13853	5.9
193.08521	18.1
193.12164	4.8
193.88608	2.8
205.12103	5.7
211.13391	29.4
213.87767	2.8
221.11559	11.9
229.14452	16.9
231.09962	9.4
233.09322	5.8
233.11597	100.0
234.11945	4.4
249.10977	10.7
251.12531	23.1
294.05679	5.7
329.23279	48.3
330.23538	3.9
351.21497	84.3
352.21640	9.3
376.13220	5.6
411.23038	3.2
412.15192	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21384	2.9
59.01377	100.0
61.98848	3.0
66.43613	2.7
70.46112	7.2
82.02765	2.8
87.13198	2.9
96.26914	2.7
96.27573	3.4
109.37714	2.8
125.20079	3.3
164.17538	3.3
171.10315	3.5
189.55237	3.0
222.72614	2.8
312.13919	2.9
334.23734	3.3
340.88477	2.8
377.76355	3.1
400.68121	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07072	5.0
59.01379	100.0
61.98815	9.9
63.15005	4.6
79.98104	14.9
96.95978	5.9
111.33582	4.9
117.05711	5.0
140.66345	5.5
144.62181	5.6
162.21873	5.1
166.40787	5.2
312.65802	5.2
353.20056	13.1
411.23508	8.9
418.78207	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	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98829	100.0
69.10572	1.2
71.01387	0.8
87.00881	0.3
88.04040	0.8
96.18114	0.3
96.98383	0.3
101.02474	0.7
114.05619	0.5
116.07122	0.4
130.08826	0.8
134.03737	0.3
135.04483	1.9
160.61247	0.4
175.02487	0.3
207.00031	1.1
208.99234	0.4
232.00780	0.5
250.01785	0.9
255.08844	0.6
281.12088	0.3
286.50949	0.3
291.55118	0.3
375.16687	0.5
375.70105	0.3
383.22849	0.5
395.19461	0.4
412.07458	0.6
413.14795	0.4
413.23981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1878
Annotation	isariotin F
Peak:m/z	Relative Intensity
54.58770	0.6
57.03447	15.1
57.78677	0.7
59.01378	14.4
61.98822	4.3
69.51384	3.0
71.01377	3.1
71.02502	5.2
72.00901	4.6
73.02950	1.7
73.04068	53.2
74.04400	1.0
83.01344	0.7
83.02509	2.9
85.02931	1.9
91.05531	16.1
91.97386	0.7
96.87478	0.7
99.04516	10.8
99.92271	0.7
101.02438	6.0
107.93800	0.8
113.02475	0.7
115.08765	1.2
117.06695	2.5
118.06625	16.0
125.02453	4.2
130.08711	3.0
131.05058	1.4
146.06117	17.9
147.04520	22.3
148.04860	0.8
159.06848	0.9
159.08090	0.7
161.04552	1.6
164.07161	57.8
165.07562	2.0
167.89806	0.8
174.05597	3.2
175.08699	2.0
186.09081	0.8
201.06615	0.9
203.08263	7.3
220.10918	1.3
221.09480	0.9
247.10867	10.8
250.12350	35.1
251.12663	3.5
269.10284	5.0
296.83853	0.7
311.13928	1.3
324.17133	4.2
368.16129	33.4
369.16391	2.9
376.22574	4.7
394.17709	1.2
412.18756	100.0
413.18967	11.3
413.27789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86924	5.1
57.03441	5.2
59.01373	44.4
61.98827	100.0
69.07766	14.3
69.08177	21.6
71.01373	16.5
71.02489	5.1
73.04070	40.1
80.37870	4.9
85.02927	6.9
88.03953	5.3
89.02429	16.8
91.05549	7.9
98.21847	8.4
101.02433	10.1
113.02462	8.7
118.06630	9.5
119.91145	5.2
129.10309	16.8
130.08746	53.3
146.06094	10.9
147.04494	18.2
164.07164	50.1
175.08742	5.2
189.55429	5.9
203.08218	6.7
250.12366	27.2
368.15976	23.3
376.22351	19.9
404.44156	5.4
412.18808	66.1
413.27615	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50288	42.0
54.91033	34.5
59.09032	38.0
61.98819	38.1
64.09338	36.6
71.16259	53.3
76.55740	38.1
89.93964	36.4
92.92805	86.3
94.92518	100.0
112.44926	40.9
197.37274	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97893	30.3
52.05927	30.9
55.72848	29.8
58.20307	30.4
61.98833	100.0
70.42184	30.3
88.79095	34.6
92.29356	31.0
99.92528	32.0
104.40566	35.7
116.92899	50.5
118.89939	49.7
119.94645	34.0
162.80460	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59799	22.1
61.98825	81.2
63.77144	25.8
67.59839	22.1
69.46242	100.0
76.35777	23.8
76.36199	19.3
88.58990	18.9
97.06658	23.6
104.65963	23.6
152.40367	22.0
191.27640	20.7
238.49622	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	412.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58130	19.8
61.98820	74.6
65.61698	20.0
69.49340	100.0
104.03873	25.1
108.47777	19.4
179.21312	18.6
241.17607	19.4
410.70166	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57001	21.5
55.13182	20.2
61.98814	100.0
66.15300	26.0
66.54060	23.1
69.31904	74.8
69.32302	41.6
73.78343	19.5
73.96660	20.3
80.54252	26.2
86.83091	21.5
98.05082	20.3
98.22028	79.0
100.08178	23.9
309.71689	24.7
395.24570	22.3
439.38858	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	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.72359	33.3
69.45425	79.5
69.45805	61.7
94.50246	32.7
215.26379	35.0
245.30769	32.5
249.45386	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17559	0.5
59.01372	9.7
60.99303	3.0
64.95220	0.9
70.02995	0.7
71.01376	7.2
72.99305	29.0
73.02940	0.7
74.00102	1.3
74.02464	0.9
75.00879	9.0
78.95905	1.4
83.01400	0.5
85.02950	0.7
87.00880	1.8
88.04047	1.8
89.02438	23.1
96.00893	0.7
96.96030	2.6
96.96978	1.3
99.00880	2.7
101.02425	1.0
103.00359	0.8
105.01933	100.0
106.02260	1.9
111.00880	0.6
112.98782	1.6
114.01954	0.9
114.05637	0.9
115.00372	19.5
116.00750	0.6
116.92851	0.7
117.00523	1.0
117.01937	3.7
127.05139	0.5
130.08737	16.8
131.09096	2.5
133.01430	42.3
134.01738	0.6
134.04762	0.7
141.00383	0.8
142.99928	1.2
145.01419	8.7
145.09805	2.5
148.04387	2.6
154.03578	0.6
167.02121	0.7
172.99484	0.5
173.00980	1.1
174.04156	0.7
174.11258	0.7
180.06635	0.7
211.00911	0.6
217.00276	0.9
221.03018	10.0
221.04953	1.0
222.03401	0.6
255.00150	1.2
258.18253	0.6
263.06241	0.6
272.10010	1.2
286.47095	0.6
300.24185	0.5
303.32977	0.5
308.38239	0.5
315.20404	2.2
315.23596	0.5
332.19522	0.5
336.14029	0.6
353.08368	0.6
354.15314	0.7
396.19370	0.5
400.24847	0.5
413.17191	1.3
414.17377	0.6
414.24435	1.0
426.25085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.5
57.03448	100.0
58.03792	1.5
59.01378	91.9
61.98823	3.4
69.08241	7.4
69.68000	1.0
71.01377	18.5
71.02475	2.0
72.00920	3.1
73.02946	8.5
73.04070	21.2
74.04416	1.4
83.01390	4.8
85.02952	10.1
85.68704	1.0
87.05614	2.2
89.02438	2.1
91.05528	4.4
92.05857	1.0
95.01389	2.2
99.00892	2.1
99.04521	82.6
100.04852	2.5
101.02437	31.1
110.02486	1.1
113.02451	9.9
114.05626	1.8
115.08764	1.1
116.07145	1.5
118.06670	5.7
119.06951	3.3
125.02447	26.2
129.10368	1.6
130.08704	6.7
131.78935	1.0
143.03494	2.6
146.06126	5.0
146.52036	1.0
147.04559	5.4
147.06522	5.0
148.04900	4.1
159.03041	2.7
161.04530	9.1
163.95444	0.9
164.07166	17.3
165.07504	10.8
204.08632	1.9
247.11012	2.2
248.11223	3.1
250.12392	4.0
251.12749	10.8
269.10287	26.9
270.10797	1.6
311.11438	1.6
368.16046	2.6
369.16464	13.6
370.16937	1.2
377.22858	2.9
413.09464	1.8
413.19080	42.4
413.27258	5.4
414.19080	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03470	1.1
54.67478	1.5
59.01379	100.0
61.98798	1.2
63.53787	1.0
69.47590	2.5
69.47979	2.7
108.28821	1.2
146.96568	1.3
302.00549	1.3
342.72943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62336	0.7
59.01379	100.0
69.78282	1.8
69.78645	1.7
96.28253	0.8
116.19008	0.8
210.22826	0.8
269.96152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41973	2.5
52.19849	2.3
61.98830	100.0
66.21454	2.4
69.41940	11.4
88.73617	2.3
96.93184	2.9
98.22636	5.3
109.45493	2.0
265.27972	3.0
329.23380	5.5
387.07397	2.6
414.20526	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02519	3.2
58.02982	15.4
59.01379	30.1
61.98817	8.1
66.47318	3.2
69.50491	12.4
71.01383	18.2
73.02960	4.6
74.02502	3.4
82.87988	4.0
84.04543	5.0
85.02979	7.8
89.02442	10.9
98.21853	6.6
101.02462	12.9
102.05606	35.6
113.02441	6.5
128.03546	100.0
129.10344	12.5
130.08749	25.0
140.07166	4.0
146.03737	3.2
146.04628	26.2
161.04547	8.3
163.04062	4.8
171.15089	10.5
172.09720	7.1
173.87485	3.2
179.05629	3.4
199.18166	11.0
204.04254	7.6
205.05046	22.6
208.13531	4.8
224.17798	4.0
242.18864	5.8
253.14491	4.2
266.18512	4.0
284.23306	5.2
285.18213	40.1
339.09747	5.0
371.20575	17.0
414.22540	88.6
414.27917	12.1
415.10510	3.7
415.23016	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	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84890	11.3
57.03433	15.2
59.01171	8.0
59.01385	100.0
59.97174	9.2
59.97488	12.5
61.98817	39.9
69.33888	49.6
71.01378	56.0
73.02956	23.0
73.04050	21.6
74.02471	13.9
85.02919	17.6
87.05658	11.8
89.02446	38.4
96.00900	12.6
96.96014	13.9
99.15410	9.4
100.99771	9.8
113.02439	11.5
119.03536	13.7
125.02444	15.0
130.08755	66.2
131.09135	12.9
147.11763	9.7
164.07167	23.7
173.13390	13.7
203.99408	24.5
219.01651	15.9
221.09200	24.5
235.13522	11.3
253.14406	67.7
265.11884	26.3
269.04449	12.5
296.22379	18.6
297.04028	12.0
341.09299	11.7
376.22418	20.9
382.07840	13.4
414.09369	48.2
414.18463	33.0
414.23346	48.1
414.28754	18.3
415.06467	23.8
415.19513	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84890	11.3
57.03433	15.2
59.01171	8.0
59.01385	100.0
59.97174	9.2
59.97488	12.5
61.98817	39.9
69.33888	49.6
71.01378	56.0
73.02956	23.0
73.04050	21.6
74.02471	13.9
85.02919	17.6
87.05658	11.8
89.02446	38.4
96.00900	12.6
96.96014	13.9
99.15410	9.4
100.99771	9.8
113.02439	11.5
119.03536	13.7
125.02444	15.0
130.08755	66.2
131.09135	12.9
147.11763	9.7
164.07167	23.7
173.13390	13.7
203.99408	24.5
219.01651	15.9
221.09200	24.5
235.13522	11.3
253.14406	67.7
265.11884	26.3
269.04449	12.5
296.22379	18.6
297.04028	12.0
341.09299	11.7
376.22418	20.9
382.07840	13.4
414.09369	48.2
414.18463	33.0
414.23346	48.1
414.28754	18.3
415.06467	23.8
415.19513	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95547	0.7
59.01371	4.4
60.99010	1.3
60.99302	12.8
61.98846	1.2
69.07155	0.7
69.54850	2.9
70.02998	0.7
70.50119	0.6
71.01382	2.4
73.04082	1.4
74.02462	6.2
85.02920	0.9
85.86931	0.6
87.05628	3.0
88.04050	1.9
88.98801	100.0
89.02459	2.6
89.99095	1.1
96.00898	2.0
98.02481	0.8
101.02425	1.3
101.26170	0.7
104.03549	0.8
114.05587	0.8
116.07186	2.6
117.03468	2.5
127.05131	2.8
128.03545	3.5
129.10349	5.0
130.08739	5.5
141.06645	0.9
141.10332	1.2
143.11882	1.6
145.02953	16.8
157.09845	0.9
163.03972	2.1
166.08711	3.9
179.07103	2.0
183.11346	1.3
185.16563	1.4
186.12465	1.3
187.10913	1.1
200.14058	1.5
201.07790	0.7
214.15706	0.9
271.53131	0.9
284.12775	0.9
296.19711	0.9
309.14603	2.5
325.09305	5.6
326.09427	1.0
371.23077	4.1
373.79489	0.8
385.21158	0.8
397.20874	4.7
403.74774	0.7
414.23755	1.8
415.21579	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	415.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07175	1.4
58.88372	1.4
59.01382	6.2
61.98829	3.1
66.59408	1.5
71.01366	2.4
72.36625	1.5
73.38083	1.4
79.00648	1.6
81.18591	1.5
94.28152	1.5
105.01923	1.6
109.02944	11.5
117.03485	2.0
120.58176	1.3
125.02528	1.6
139.03979	2.1
145.02951	100.0
146.03775	16.2
147.04538	2.4
151.04001	6.1
159.04530	9.7
160.05251	2.2
161.02458	2.6
162.03201	1.4
173.02423	6.8
175.04051	4.2
189.02017	2.4
189.05508	2.3
190.02727	8.9
191.76874	1.5
203.03453	4.3
204.04280	26.2
205.05049	30.6
206.05464	2.4
217.04980	5.7
219.03072	4.2
219.06615	70.5
220.06894	3.0
225.05576	2.0
229.01422	5.9
231.03011	4.3
232.03755	11.6
233.04083	1.6
234.05359	2.2
237.05606	2.5
246.05333	3.4
247.06091	12.9
253.05048	4.3
261.07712	2.1
263.03592	2.0
265.05087	4.4
281.04559	10.6
282.05273	3.3
296.06964	4.4
297.07541	2.5
309.04031	2.1
311.09155	3.3
324.06326	3.1
325.03967	2.3
327.21747	3.0
339.08722	5.0
340.05789	2.4
355.08264	3.0
356.08893	5.5
369.34244	1.5
371.11334	69.6
372.11469	7.6
383.07709	9.8
415.10452	6.3
415.23108	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	415.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
61.98856	0.5
63.82468	0.5
65.82779	0.5
69.29987	2.5
93.03487	0.6
105.42982	0.6
109.02946	2.8
117.03451	2.3
121.02967	1.5
125.02445	1.7
137.02464	1.2
138.03214	0.7
144.02107	0.5
145.02960	10.2
146.03751	19.0
147.04547	8.1
148.05296	1.9
149.02455	0.6
151.04022	0.9
153.05562	1.8
158.03757	3.1
159.04359	0.6
160.05304	0.9
161.02449	1.3
163.04012	11.7
164.04584	0.9
173.02443	9.4
174.02960	0.7
175.04044	2.4
176.04741	1.2
177.05493	2.5
187.03963	1.6
187.22627	0.5
188.04718	1.3
189.01819	3.2
190.02730	9.7
191.03508	1.3
203.03499	6.2
204.04271	34.7
205.05054	100.0
206.05426	5.1
217.05032	8.7
218.05537	0.6
219.03003	2.4
219.06581	0.5
225.05597	1.9
231.02783	0.9
232.03694	0.6
234.05429	1.5
237.05453	0.9
249.07648	2.4
253.02507	0.5
253.05051	2.1
263.03375	0.7
264.04120	0.5
265.05081	1.3
281.04651	3.8
282.05249	1.4
293.04678	0.5
295.06174	0.5
296.06927	1.8
297.07590	1.4
309.04050	1.7
311.09198	3.9
320.51730	0.6
324.06268	1.6
327.21649	0.5
339.08722	7.6
340.09296	0.6
341.06696	0.6
355.08334	0.6
356.08795	2.4
371.11353	10.7
372.11389	1.3
383.07736	3.5
415.10336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.0
61.98814	1.4
69.01598	0.7
69.15262	0.7
71.01384	2.9
71.02008	0.9
73.10826	1.0
83.01376	2.2
85.02946	0.9
89.02429	1.5
90.11971	0.8
101.02424	2.0
108.02208	1.2
109.02941	11.1
115.74479	0.9
117.03428	2.8
119.04974	0.9
121.02963	1.3
125.02489	0.9
145.02950	100.0
146.03763	16.5
147.04497	2.7
151.03995	5.8
157.02899	1.1
158.03737	2.1
159.04498	9.6
160.05324	2.1
161.02431	3.4
161.04544	1.1
163.03995	1.3
173.02396	7.2
174.03218	2.8
175.03967	3.8
177.05515	0.8
189.00400	0.9
189.01953	3.6
189.05614	2.0
190.02713	9.5
197.06111	1.5
203.03517	5.1
204.04265	25.2
205.05032	34.7
205.06992	1.7
206.05397	2.1
217.01570	1.0
217.05061	4.9
219.03069	4.1
219.06609	61.3
220.03851	1.4
220.06889	3.9
225.05592	3.0
229.01337	4.9
231.03004	3.5
232.03740	11.2
233.04251	0.9
234.05383	1.0
237.05559	1.9
246.05194	2.0
247.06107	12.1
248.77063	0.9
253.05058	3.6
254.05774	1.6
257.57910	0.9
261.07672	2.5
264.04184	1.8
265.05032	3.3
268.03546	1.1
281.04611	9.7
282.05255	5.1
293.04364	0.9
296.06931	4.9
297.04199	1.3
297.07547	2.9
309.04080	3.5
311.09274	3.2
323.05435	2.5
324.06430	1.7
339.08807	4.8
340.05704	1.7
341.06497	3.3
343.47601	0.9
355.08224	3.6
356.09106	6.7
357.09543	0.9
371.11334	78.5
372.11755	8.4
383.07794	12.4
384.08121	1.1
415.10388	8.2
415.23355	3.8
416.10114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1035
Annotation	Bayin
Peak:m/z	Relative Intensity
50.29626	1.4
57.03461	1.5
59.01379	31.2
61.45087	1.3
61.98816	5.7
69.84870	4.3
71.01381	15.6
71.05021	1.6
73.02931	4.8
73.04070	1.9
75.00887	1.8
77.03964	4.9
79.01910	3.6
83.01395	1.9
85.02954	3.9
87.00859	1.6
89.02441	8.8
93.00493	1.4
93.03443	1.6
95.01422	2.1
98.21956	2.0
101.02431	6.7
105.03462	2.1
107.74468	1.3
113.02457	4.8
113.06076	1.7
117.03471	4.4
119.03482	2.8
119.04971	3.0
121.02965	4.9
123.08206	1.4
125.02454	1.6
130.06248	1.4
130.08743	19.5
131.09093	2.8
143.05028	4.6
145.02946	4.4
149.02477	6.5
161.02493	3.5
161.04581	2.5
173.13304	1.7
181.06573	1.3
185.16600	4.4
187.04060	1.6
187.10968	1.4
194.03821	1.2
195.08144	3.0
199.07677	1.6
223.07611	4.5
235.13464	3.0
238.81834	1.2
242.18762	4.5
253.05130	3.2
253.14465	4.9
265.05099	1.7
267.06616	80.7
268.04001	2.7
268.07004	9.8
269.04593	3.7
277.05157	4.4
279.06720	1.8
281.04660	6.4
282.05316	4.3
283.06027	7.1
295.06110	95.8
296.06467	10.0
307.06000	2.7
311.05627	20.4
312.06104	1.7
312.78854	1.4
313.07025	3.6
323.05569	4.5
325.07147	6.3
341.06567	13.8
343.11966	1.9
372.27679	3.2
373.27863	1.6
376.36938	1.5
377.05508	1.4
377.21140	2.3
383.08417	2.8
397.09351	3.6
414.24121	3.6
415.10364	100.0
415.19452	9.1
415.24005	23.2
416.10706	12.2
416.19199	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	415.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	71.2
89.02489	40.3
99.00896	27.8
99.95367	26.3
116.07175	46.1
132.31015	26.4
153.47774	29.5
174.00867	31.3
223.50101	31.5
246.64519	26.6
247.52914	33.0
300.13345	27.2
330.09268	30.1
379.16122	100.0
415.13721	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
59.01375	82.2
60.01702	1.5
61.98841	1.9
69.86330	3.9
71.01382	58.0
71.01780	2.9
72.99300	2.3
73.02941	20.0
73.04066	4.8
77.12062	1.2
82.28860	1.2
83.01389	2.9
85.02950	6.8
85.73589	1.1
88.04043	6.3
89.02441	100.0
90.02806	1.9
90.91510	1.2
97.02938	1.7
99.00878	28.2
101.02443	32.7
101.03098	2.0
102.98596	1.3
108.34089	1.1
113.02454	14.6
115.00352	5.1
119.03477	9.1
125.02432	4.2
129.10320	1.8
130.08739	3.2
131.03493	19.8
132.03012	2.0
143.03474	2.1
149.04546	64.0
161.04559	5.2
179.05571	2.7
191.05626	14.2
207.14876	1.6
221.06544	2.1
224.17722	2.2
251.07729	5.6
281.19800	4.4
283.04843	2.6
299.20917	3.2
300.19254	4.0
323.16202	3.6
371.23441	1.6
380.95337	1.6
397.20578	3.1
415.16025	11.4
415.21924	8.0
416.16473	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	415.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	0.9
59.01379	3.9
61.98817	1.2
66.03485	1.0
69.45712	2.0
70.02971	4.4
71.01397	2.7
71.01729	0.6
72.00911	1.4
73.02969	0.7
73.04076	2.1
74.02473	63.9
75.02790	1.1
75.33199	0.6
81.02171	0.7
82.02992	1.8
82.06637	3.8
84.00915	0.9
85.02946	0.9
85.04062	0.7
87.05638	6.4
88.04043	1.2
89.02444	1.8
95.02505	1.7
96.00913	34.9
97.04058	0.6
98.02476	16.0
99.00877	1.9
100.00434	0.8
101.02420	1.2
109.01694	4.5
110.02473	2.2
111.00876	2.5
111.01990	1.3
112.02785	3.5
112.07657	0.6
113.03577	13.8
114.01955	2.1
114.05580	0.8
115.08753	0.6
116.07166	0.9
121.04091	0.9
123.03287	4.3
125.03558	3.1
126.09224	2.4
127.05141	11.3
128.03543	1.1
129.10323	3.6
130.08742	9.1
131.04625	7.2
135.05698	0.6
138.09233	4.8
139.08766	9.1
140.07162	4.8
140.08943	0.6
141.10333	1.3
143.11890	9.7
153.10371	1.4
154.01416	0.7
155.08261	1.7
161.04567	0.8
162.09236	1.7
164.14497	0.7
165.10327	2.2
166.08720	11.4
168.09024	2.1
169.09827	7.4
179.11891	0.7
180.10312	1.1
183.11450	1.3
187.10872	14.8
195.15038	0.8
197.16600	1.3
198.08823	0.8
205.09869	0.7
206.08261	1.4
207.15086	0.9
208.13394	0.9
209.09346	3.9
213.08833	1.6
221.16560	0.7
223.10828	0.8
225.16077	14.7
226.16385	1.1
227.10512	0.6
256.20334	2.3
261.16113	1.4
279.17203	0.9
292.20023	0.8
293.18613	1.6
299.20840	0.6
300.19211	1.4
323.16107	1.0
336.19244	8.6
337.19565	0.7
371.22964	1.8
380.18250	100.0
381.18607	10.8
385.24417	1.6
388.66879	0.6
397.20898	27.2
398.20419	3.3
415.15762	1.2
415.21582	25.9
416.14764	1.0
416.22192	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.2
61.98825	1.9
65.22782	0.9
67.30123	0.9
70.02970	2.2
70.32826	0.9
71.01376	4.0
73.04057	3.3
82.02983	2.6
84.08179	3.6
85.02917	1.7
87.05619	2.9
89.02420	1.3
92.71765	1.0
95.02528	1.6
96.00909	24.7
98.02478	17.0
101.02451	1.7
109.01685	4.4
109.04047	1.3
110.02472	18.4
113.03585	8.8
114.01984	1.4
114.09278	1.4
127.05115	1.6
129.10323	1.7
130.08733	72.9
131.04616	3.9
131.09100	1.9
139.08801	1.6
140.07199	1.4
143.11935	1.4
153.03038	3.2
155.08240	2.2
166.07436	3.2
166.08699	1.8
168.08986	4.8
169.09755	7.3
184.62930	1.0
186.12445	3.2
187.10915	2.0
195.15121	1.4
197.16563	14.0
198.16866	1.7
199.18164	7.8
207.11337	1.1
208.02565	1.1
210.07668	3.1
223.14467	5.2
225.16040	3.7
243.17145	13.7
244.55464	1.1
248.10611	1.1
270.21838	1.2
297.07449	1.0
300.19095	2.9
336.19211	4.0
371.23004	1.7
374.25586	1.6
380.18237	100.0
381.18585	9.5
385.76871	1.1
397.20901	37.1
397.46826	1.3
398.20975	3.3
415.21704	10.8
416.26431	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22181	0.3
62.83995	0.3
69.70565	1.2
74.99095	6.0
77.00662	74.3
78.01005	0.7
83.61967	0.3
91.10625	0.4
106.92954	0.3
126.84569	0.4
137.01266	0.4
141.11768	0.3
147.08154	2.0
149.09746	1.8
155.53888	0.3
159.96318	0.3
160.08894	0.4
161.09708	1.3
163.11266	2.6
167.07170	0.3
187.11241	2.6
203.10947	0.4
253.58037	0.3
265.12274	0.4
279.13855	1.2
280.14676	1.6
281.15414	0.4
296.51212	0.4
307.17017	0.6
309.22208	2.7
322.19461	0.8
337.21704	100.0
338.22018	11.7
415.23083	17.8
416.23267	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	416.9072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.7
65.65546	1.1
69.34338	2.4
69.34743	3.9
74.53213	1.3
85.00412	8.2
87.92551	2.0
103.01472	8.2
118.26621	1.2
127.93150	14.3
128.95198	4.5
139.93161	4.9
142.95566	1.3
148.94164	2.2
154.95499	17.9
155.93906	2.2
156.93449	2.0
165.86223	1.2
169.92944	8.9
171.93402	1.8
172.94090	1.6
173.93701	20.1
181.92940	100.0
182.93169	2.9
185.92487	1.8
190.95195	4.5
198.94481	25.6
199.85973	2.2
199.98753	3.7
211.86156	2.9
212.94760	6.6
215.96048	3.2
227.92245	19.5
228.86293	1.7
229.88640	1.8
234.92505	1.4
242.94583	12.5
243.98860	5.2
244.93813	1.9
245.86673	5.6
258.92618	1.5
259.96194	3.5
261.00510	2.3
270.87494	2.1
291.81549	1.4
293.80927	16.3
301.80173	25.1
306.92947	1.8
307.78760	4.2
307.81702	2.8
316.82489	5.2
318.80447	37.2
319.80988	2.9
329.88950	2.8
330.93091	7.9
333.79056	2.8
336.81570	2.8
338.29733	1.3
343.80347	1.7
347.90845	1.5
360.81445	30.5
361.81564	2.5
375.79919	2.2
378.82504	22.4
393.81073	1.9
416.80292	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	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.0
70.52300	2.6
71.01381	17.8
73.04086	2.7
74.02488	3.7
77.03963	1.6
84.33551	1.2
85.02951	6.8
88.04040	2.7
89.02445	13.2
95.05042	4.9
101.02463	7.9
104.03535	1.9
105.03469	14.3
107.05018	12.0
109.02927	1.5
109.57010	1.3
113.02460	6.3
115.08759	1.7
119.03518	8.1
121.02959	2.3
121.06670	1.2
122.03778	1.8
123.04543	9.7
127.05179	1.4
128.03551	5.0
130.08754	4.0
133.02959	100.0
134.03307	4.3
135.04489	1.7
145.06206	2.1
147.04558	3.8
149.02440	5.7
149.06165	1.4
151.04036	8.5
157.09880	1.7
161.02417	5.0
161.04604	1.8
175.04034	8.1
177.01935	40.2
178.02330	2.0
179.03517	1.7
179.05553	2.0
193.05011	1.7
194.97701	1.3
195.02991	39.5
196.03313	1.5
207.10236	3.5
237.11101	1.4
254.95656	1.7
279.05139	1.5
338.13507	1.5
357.08054	1.6
417.18237	6.1
417.23825	7.5
418.18118	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1303
Annotation	2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine
Peak:m/z	Relative Intensity
54.70805	0.7
56.87664	0.8
59.01381	12.5
61.98831	1.4
62.50404	0.8
69.29517	0.8
71.01382	5.7
72.99298	0.9
73.02929	1.2
75.00869	1.0
85.02936	1.9
87.00887	1.0
89.02438	4.1
95.01364	1.0
96.96033	0.9
97.23367	0.9
99.00918	0.9
101.02433	4.9
113.02428	2.3
121.02951	6.5
129.06631	0.8
132.04645	1.3
160.03992	0.8
161.04581	2.2
184.07677	3.5
187.08791	1.1
197.04832	2.3
197.07080	0.9
198.04330	6.1
199.05042	1.8
211.05139	3.3
211.08806	3.3
212.05913	7.4
212.07404	3.5
213.06642	8.0
224.05652	0.9
225.06729	1.4
225.10422	0.8
226.07513	2.6
227.08240	16.1
228.08833	1.5
237.10216	0.9
237.14986	2.0
239.04633	13.2
239.08324	3.2
240.05290	1.7
240.08904	1.3
241.09792	1.5
244.09830	0.9
252.05360	2.5
253.06082	1.8
253.09763	4.8
254.03326	2.4
254.07013	2.9
255.07744	16.5
256.08139	1.5
265.09839	1.4
266.06750	1.6
267.07751	9.1
268.08307	1.2
271.07114	1.3
280.84952	0.8
281.09241	7.9
285.08896	1.2
287.10397	8.9
299.10367	2.2
309.08804	12.7
341.11511	9.4
343.21259	2.0
373.13974	21.1
374.14398	1.2
385.10260	3.0
417.13040	100.0
417.21390	4.9
418.13425	10.1
418.21640	1.5
432.04144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90536	3.5
59.01378	84.9
61.98828	16.8
69.56902	17.6
71.01382	28.6
73.02947	14.2
73.04048	6.4
74.02466	11.5
74.74578	3.6
78.01691	4.2
85.02956	14.6
87.00881	6.1
88.04046	5.8
89.02443	22.8
90.14931	4.3
96.00921	12.6
99.00869	7.3
101.02437	34.9
104.61113	3.8
106.06410	3.7
109.02986	6.4
113.02454	12.2
113.03593	15.1
115.16921	4.2
119.03477	10.8
123.05644	4.7
124.03989	5.6
129.10342	7.3
147.04472	4.1
161.04477	19.8
167.01698	7.8
167.04686	5.7
169.09770	8.2
183.57953	3.7
186.12398	5.2
213.11137	3.7
245.93796	3.6
249.13358	16.4
262.18842	3.5
301.21207	4.3
320.12491	6.1
323.13611	9.0
337.15118	12.7
355.16229	5.4
355.90732	3.8
357.15497	11.8
369.17593	7.0
381.17657	100.0
382.17908	7.9
399.18494	9.1
417.15363	83.3
417.21786	21.7
418.15607	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05239	1.7
55.58326	1.7
57.03433	4.1
59.01377	100.0
61.98827	13.0
69.41819	7.9
70.02965	1.7
71.01377	29.6
72.99300	2.4
73.02934	8.3
73.04070	4.0
74.02470	9.9
79.56046	1.8
80.56758	2.1
85.02952	8.3
87.00904	2.5
89.02442	26.7
96.00928	9.6
99.00888	3.5
99.04524	2.0
101.02438	25.0
109.02943	3.8
113.02444	12.9
113.03571	14.4
114.05672	2.2
115.00349	2.3
119.03527	10.2
123.05615	4.0
124.04043	4.3
129.10350	3.8
143.03513	1.9
159.02986	2.0
159.04469	3.6
161.04564	18.9
166.07295	1.9
167.01746	2.3
167.08255	2.9
169.09848	2.4
177.09163	7.1
179.05606	7.7
179.11969	2.3
223.46538	2.1
249.13316	2.3
277.11899	2.4
320.12711	4.7
323.13556	4.0
337.15176	12.9
352.15393	2.1
357.15668	24.1
369.17630	5.6
381.17722	20.7
382.18027	2.6
399.18936	10.4
417.14954	13.3
417.22610	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97068	0.6
52.52578	0.5
54.95415	0.6
55.01870	1.8
57.03451	1.3
59.01377	100.0
59.31667	0.5
60.01702	1.1
60.87044	0.5
61.38958	0.6
61.98830	1.4
69.21535	0.5
69.54483	1.3
69.54870	1.2
71.01381	25.3
72.01749	0.7
73.02943	10.0
80.11630	0.5
83.01382	3.9
85.02950	11.9
89.02446	3.6
95.01402	2.0
97.02955	1.0
98.21819	0.6
99.00891	3.1
101.02442	18.5
101.03095	1.0
113.02447	10.4
118.97480	0.6
125.02507	0.8
128.03551	0.9
130.08714	0.8
134.03600	0.7
143.03534	2.3
149.04584	1.2
151.69565	0.5
159.03014	3.6
161.04556	39.5
162.04930	1.1
165.09213	5.5
201.25443	0.6
281.06699	0.8
299.21292	0.6
357.15540	21.1
358.15839	1.3
363.07431	0.6
381.08408	0.9
417.17599	2.4
417.22430	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24549	43.6
53.08838	37.2
58.63073	37.1
59.01353	55.2
61.98827	69.0
70.61884	82.0
73.98039	47.5
82.33408	40.2
97.99025	37.2
103.52258	37.9
103.92008	47.7
122.89433	100.0
132.05475	37.3
145.56599	40.2
190.99315	47.9
233.96358	40.5
262.42404	45.0
380.73389	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51180	35.6
59.01372	88.0
61.98832	100.0
64.00664	36.9
80.85368	36.5
105.14915	41.0
108.27470	38.4
152.48923	41.2
167.89552	42.2
263.00156	48.6
310.79984	42.4
334.63702	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	2.7
59.70755	1.9
61.98822	3.1
69.38779	6.0
69.39177	2.8
82.45806	1.8
83.05022	2.1
85.00420	4.3
98.22688	2.3
124.48318	2.3
204.58444	2.1
222.74380	2.4
228.76054	2.1
232.10909	5.1
290.18726	3.2
344.13693	2.3
374.24475	100.0
375.24713	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01960	0.7
59.01369	2.9
61.98829	100.0
67.67279	0.6
70.99637	1.1
71.01411	1.2
74.02496	0.6
101.02469	0.7
112.82102	0.7
113.02497	0.6
130.08742	1.2
168.36327	0.6
179.10818	0.6
215.11485	0.7
243.07838	1.0
247.66977	0.6
315.22818	0.7
328.78311	0.7
419.09958	1.3
419.19897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
59.71766	0.4
61.98828	100.0
67.96352	0.4
69.98882	0.8
71.01376	0.7
73.02981	0.4
77.11916	0.4
87.31898	0.4
88.47541	0.4
89.02445	0.6
101.02458	0.5
113.02430	0.6
138.78148	0.5
161.04626	0.5
200.22014	0.4
221.06586	0.5
237.71977	0.4
254.66014	0.4
255.08788	0.5
257.10471	1.0
315.31305	0.5
375.22263	0.5
419.11072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49361	19.0
69.51947	100.0
98.21923	43.6
153.83006	20.2
160.34143	19.9
291.09091	66.3
359.15274	76.1
399.39777	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.2
58.03381	2.0
59.01369	12.2
61.98847	4.8
63.23142	2.4
69.41053	4.9
69.41432	8.6
71.01389	3.7
84.38067	2.8
85.02947	2.4
96.17738	2.3
96.86412	2.1
96.95982	2.4
101.02367	3.0
113.02454	2.6
119.03513	2.7
137.37035	2.4
150.08224	2.3
177.19693	2.5
178.13312	2.6
183.13824	4.8
195.13847	4.1
213.14946	100.0
214.15338	5.2
283.38403	2.2
377.02594	2.6
419.24203	4.3
419.30042	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.58105	0.8
60.01708	1.2
61.98825	8.1
71.01370	2.6
73.02954	0.8
85.02949	1.2
89.02493	1.1
93.03484	0.7
101.02473	1.9
111.09737	0.6
113.02473	0.8
121.02944	2.5
122.03764	2.4
130.08777	0.7
135.04547	0.7
149.02435	9.3
149.04498	0.5
150.03227	15.2
152.03584	0.6
164.04802	4.1
165.05571	17.8
169.05299	0.6
177.46225	0.6
179.07184	1.0
180.04303	0.8
190.48602	0.5
193.01370	2.6
195.06624	10.7
195.08470	0.5
208.03754	4.8
223.06099	15.5
312.10147	0.8
355.20648	1.3
371.11374	2.3
418.21854	1.6
419.22641	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1097
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
59.01363	1.3
67.56779	0.8
70.55970	1.1
71.68495	0.7
77.68245	0.8
78.36586	0.8
92.05050	1.8
120.04542	2.9
122.06113	3.1
122.74506	0.8
130.42120	0.8
147.03270	9.3
148.04071	7.0
152.65466	0.8
162.05666	0.9
172.11223	1.4
172.42801	0.8
175.02751	3.4
176.03528	8.7
177.58836	0.8
179.05920	2.0
181.07617	1.1
184.06467	1.7
187.08682	1.0
197.07195	1.4
199.06709	0.7
199.08740	3.9
206.04608	2.0
207.05403	1.4
210.07819	1.1
211.08801	0.9
211.18532	0.8
212.05896	0.8
213.10345	1.0
213.35291	0.9
214.07478	1.4
215.08246	1.0
215.11891	8.9
222.08189	0.8
225.06708	1.8
225.10323	2.4
226.07353	1.5
227.04613	2.5
227.08240	3.2
227.11925	1.6
228.05273	1.3
228.10307	1.1
228.51352	0.9
237.06421	1.0
238.07472	1.6
239.08127	1.4
239.74835	0.9
240.09065	4.7
241.07713	0.9
241.09892	4.7
243.07776	4.4
243.11420	2.0
253.09860	2.6
255.07892	1.6
255.11345	3.9
256.09662	1.0
266.06952	3.5
269.05676	4.5
269.09155	1.2
271.07303	1.4
271.10913	3.6
281.09329	6.9
283.07266	1.6
284.08051	1.7
297.08896	1.6
299.10355	8.1
313.11935	1.9
325.08405	2.0
331.13013	2.8
343.09323	2.9
357.10846	4.5
359.08908	1.0
375.12109	6.9
387.07996	1.2
388.08929	1.1
401.09741	1.4
419.10965	100.0
420.11316	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	419.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.9
61.98828	1.9
70.29099	1.6
70.29412	1.5
73.48405	1.2
73.57053	1.1
74.75031	1.1
77.54688	1.3
92.05060	3.2
120.04553	2.9
122.06123	4.0
125.77876	1.1
139.65581	1.3
146.02483	1.8
147.03279	13.0
148.04073	9.8
150.05594	2.0
158.16530	1.3
162.05573	1.2
164.03517	1.2
172.11151	1.3
175.02708	6.9
176.03519	11.0
179.05870	2.5
184.06438	2.6
199.08810	3.7
206.04515	2.7
207.05304	2.9
210.07927	2.4
211.08728	1.7
212.10916	2.1
213.10339	1.7
215.08267	2.0
215.11888	7.9
225.06706	3.5
225.10257	2.7
226.07341	2.6
227.04703	3.1
227.08272	4.3
227.11890	1.7
237.10345	2.4
238.07358	2.6
239.08354	1.4
240.09021	6.8
241.09763	6.3
243.07776	5.5
243.11391	3.1
251.04247	1.2
253.09908	3.2
255.11540	6.7
256.09680	2.3
266.06995	4.9
269.05707	7.1
269.09451	2.2
271.07236	2.4
271.10904	5.4
281.09354	12.2
283.07169	2.0
284.08011	3.6
297.08859	1.8
299.10416	16.0
313.12003	5.9
315.09958	1.8
325.08270	3.2
331.12982	4.9
343.09418	4.7
357.10776	2.7
359.08820	1.5
369.07297	2.9
375.11856	7.5
387.08661	1.6
401.10257	1.4
419.10941	100.0
420.11185	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	419.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90385	1.0
53.64504	0.9
57.70013	0.9
59.01381	10.5
59.78338	0.9
61.98823	8.5
66.03504	1.1
70.64191	1.2
70.64565	1.5
71.01379	26.7
73.04064	17.7
74.02484	1.0
78.91886	2.7
78.95883	0.8
88.04037	34.2
88.04585	2.0
89.02428	1.7
89.04308	0.8
94.07272	0.8
99.05633	1.8
108.08208	1.0
111.05640	3.0
113.07215	3.6
114.01933	1.0
115.00372	39.0
115.08769	12.8
116.07181	9.3
125.07207	6.6
126.04374	1.6
126.05632	1.1
127.05178	1.3
130.08755	1.2
132.03026	27.3
139.05130	2.0
141.06691	7.1
143.11856	1.3
151.08769	1.0
152.07207	1.9
154.09889	1.7
156.07870	1.1
163.08778	8.7
164.07191	3.5
167.05783	2.3
169.09807	1.5
180.11453	4.0
181.09853	1.5
187.05415	6.2
187.10913	4.2
194.13022	3.2
198.12471	3.4
204.08121	3.2
211.09106	4.6
211.12201	1.1
212.07401	1.8
212.14011	4.6
228.11674	6.9
235.13866	1.0
237.13596	4.4
246.12889	4.3
255.14577	3.0
274.46210	0.9
285.13913	37.9
286.14468	1.0
303.14944	44.5
304.13257	38.6
305.13458	2.9
375.16949	11.6
376.17236	1.2
401.15018	1.5
419.16043	100.0
420.16287	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	94.4
60.01702	1.0
61.77707	0.8
69.75687	1.7
69.76050	1.7
80.96534	0.9
98.22611	1.2
103.01498	100.0
104.01870	0.9
115.91202	1.0
125.87341	3.2
126.88142	4.3
127.87038	3.4
128.87810	6.3
144.54234	0.9
245.67606	0.9
246.12196	1.0
278.11411	1.3
293.21161	2.5
313.02902	3.9
314.03281	3.2
315.02863	3.0
322.38641	1.0
335.11087	1.3
349.00555	2.1
350.01059	6.8
351.00327	11.7
383.10858	1.8
400.68570	1.0
419.07870	1.3
419.21304	1.5
420.07382	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	419.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28753	1.0
59.01368	2.5
62.07001	0.9
69.20929	1.6
69.21336	4.7
78.18400	0.9
95.52654	1.0
98.21876	2.5
103.01501	2.4
122.04897	1.3
122.29493	1.0
132.03293	15.0
133.04079	2.0
135.05583	2.0
145.04062	9.6
146.04843	10.7
147.05621	2.0
158.04851	1.0
159.05606	2.6
161.03508	1.3
161.07124	1.4
170.15398	1.2
171.05640	2.4
175.05099	3.5
176.05908	2.8
185.07150	5.2
189.06638	3.4
199.08691	1.6
214.11055	1.8
219.14937	2.3
221.16539	4.7
229.13480	7.0
231.14989	5.6
232.12103	2.9
247.14465	2.6
251.14034	2.4
257.12949	25.1
258.13184	2.1
259.14401	1.4
260.15234	1.5
265.15546	32.6
266.15857	2.2
272.20007	1.2
274.13144	1.9
275.14044	7.8
277.15317	1.5
290.21219	1.3
291.13535	3.6
303.13684	1.5
304.14243	22.4
313.22720	1.5
331.23853	12.2
332.22238	2.1
339.20834	11.2
347.23364	9.9
357.21817	47.8
358.22058	5.8
360.20447	1.7
375.22855	100.0
376.23154	11.5
419.21848	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42487	14.5
58.91751	14.2
61.98813	71.3
69.20272	100.0
96.54428	18.2
98.22667	31.3
105.51679	16.7
107.02493	14.4
120.77776	15.2
129.32787	14.0
237.77121	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45823	45.4
56.79674	42.2
59.01382	59.9
60.35625	40.3
60.49615	36.2
61.98829	97.7
65.60143	37.7
69.72781	100.0
117.81147	38.0
150.56894	45.9
209.54529	36.8
219.46609	43.7
240.03326	43.3
321.29349	40.6
437.83917	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86990	0.2
57.03435	0.3
58.02974	11.3
59.01376	1.0
61.98827	1.8
66.03475	0.3
67.05508	0.4
69.38697	1.2
70.02961	0.3
71.01381	0.5
71.02515	0.3
72.00906	4.2
73.04068	7.4
73.28220	0.3
74.02467	0.5
77.34972	0.2
82.06610	1.3
83.02500	0.2
84.32098	0.2
91.05532	8.3
92.05874	0.4
96.03263	0.3
97.04084	1.4
98.02477	3.5
101.02424	0.5
108.08199	1.9
111.04401	0.4
112.07704	1.1
115.05138	4.9
116.03547	1.0
116.05005	0.2
118.06618	0.7
126.09243	1.0
129.10344	14.8
130.10655	0.6
139.08792	0.8
140.07204	0.3
141.09346	0.4
141.10342	2.2
143.11873	1.4
147.04520	17.1
148.04814	0.4
151.08762	2.0
152.07167	8.5
152.10785	0.3
153.05463	0.7
154.08627	0.3
155.08218	1.1
157.55658	0.2
164.07161	41.5
165.07497	1.2
166.09854	0.3
168.11420	17.0
169.09790	1.9
169.11775	0.3
177.10323	0.4
185.12968	0.4
186.12471	33.9
187.12851	1.3
196.09773	1.3
202.07466	0.5
210.12466	20.1
211.10864	3.2
211.12813	1.0
214.09497	0.3
216.13829	0.3
228.13515	2.9
233.16580	10.2
234.16904	0.7
242.11908	0.5
251.80157	0.2
255.13422	0.3
259.14578	1.1
277.15549	6.5
278.15695	0.4
290.18723	8.8
291.19025	0.7
332.19751	3.9
333.20251	0.3
334.17715	0.3
376.18753	100.0
377.19040	9.4
402.20441	1.2
403.21207	0.3
420.21378	20.3
421.21262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89010	1.0
57.03443	3.8
65.57229	0.9
65.67320	1.0
67.01890	2.6
69.09921	2.2
69.10326	4.4
69.36923	0.8
78.91901	2.6
78.95909	3.4
81.38995	1.0
82.68357	0.9
85.02950	17.4
87.00873	28.8
89.64935	1.1
96.96963	2.1
98.22604	2.6
106.63638	1.0
111.00880	90.4
112.01259	2.0
129.01913	5.0
147.42259	0.9
173.00893	5.1
175.44658	0.9
179.47586	1.0
191.01967	100.0
192.02328	2.3
287.23724	1.0
303.20407	1.0
323.03052	1.3
400.53314	1.2
415.89935	1.1
421.07462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63085	1.6
59.01377	41.8
61.98824	4.5
67.21685	1.6
69.35609	3.6
69.36013	5.5
71.01377	4.6
73.02921	1.8
82.02971	2.0
85.02947	2.3
101.02459	3.4
104.89727	1.7
113.68693	1.9
167.64828	1.6
179.10754	16.2
197.02240	4.7
206.76048	1.7
215.04720	3.6
217.02536	1.9
217.06088	2.7
223.09750	48.1
229.06157	8.2
230.07007	3.6
243.04112	7.2
243.07822	3.2
257.05652	21.6
258.06396	9.1
259.07089	3.5
269.05887	1.7
271.07324	3.5
285.05591	1.8
285.08804	10.5
289.08310	8.3
291.09842	3.5
297.05084	2.4
298.06018	3.3
302.05765	2.0
311.06906	2.5
313.08298	100.0
314.08734	8.6
316.06818	2.3
317.07660	2.9
329.07846	1.7
345.10907	17.7
349.10403	3.2
357.06964	2.6
361.18677	13.8
389.09833	24.2
390.10117	2.3
400.97916	1.7
421.12482	18.0
421.19049	2.3
421.24252	3.2
421.28903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	67.1
60.69344	3.4
61.98830	51.1
69.38738	17.3
71.01368	8.4
87.41390	3.3
89.02393	5.4
96.00922	4.8
96.96013	9.3
99.04498	6.0
101.02428	4.7
120.99650	13.1
152.07141	5.0
179.10808	10.9
180.04224	7.4
196.06197	7.2
197.02151	5.6
223.09741	100.0
243.04156	4.0
345.10873	6.1
358.11417	10.0
361.18436	9.2
366.05392	3.6
377.26303	3.3
383.77103	3.6
421.12387	11.9
421.16968	7.0
421.28238	10.9
435.65985	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1555
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
61.98804	39.9
69.95393	92.5
77.79614	31.1
79.34879	34.7
84.16112	32.9
87.79210	40.8
98.21938	42.8
122.50961	29.4
179.56580	30.4
348.78369	38.1
418.43057	35.3
421.15421	100.0
429.10141	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23870	3.7
57.62801	3.4
59.01379	100.0
61.98828	79.3
69.63667	14.4
69.63988	3.6
70.33566	3.4
71.01377	11.7
72.50165	3.9
89.89385	4.6
96.96029	6.4
101.02402	5.2
108.08198	8.9
152.07166	7.3
161.09595	4.7
166.82442	3.6
179.10667	8.1
180.04277	7.5
195.06552	9.4
196.06252	4.4
203.67981	3.8
209.08191	8.7
223.09738	65.5
228.83954	4.2
261.79611	4.6
305.12808	5.8
358.11349	6.7
361.18707	21.3
421.16238	16.8
421.28323	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.6
61.98835	18.0
63.53009	8.3
67.74633	8.2
69.20171	47.6
71.05007	11.9
84.52485	9.7
121.82076	10.0
143.07149	100.0
156.49911	9.9
259.06015	13.2
317.84979	11.0
421.16394	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43547	10.9
59.01379	60.1
61.98788	13.9
69.87664	31.6
73.04062	12.6
79.53888	11.8
89.02422	13.1
93.91725	10.9
154.67851	11.5
155.10619	12.3
164.07120	18.1
166.90211	12.8
217.10732	19.7
234.30241	12.7
255.37512	12.6
259.11816	24.8
380.34253	14.0
421.16296	100.0
421.21088	37.5
424.38605	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50675	0.6
55.01881	6.4
57.03445	6.9
59.01379	45.4
61.98830	5.2
69.03455	2.5
71.01381	94.4
72.01722	1.3
72.99304	1.6
73.02948	43.7
74.03290	1.0
75.00878	2.8
81.03451	1.9
83.01390	14.5
84.02217	0.8
85.02953	40.5
87.00870	4.9
89.02442	23.0
95.01387	6.7
97.02948	6.0
99.00883	17.1
99.04539	0.8
101.02444	62.8
102.02785	0.9
111.00922	1.6
113.02451	35.6
113.72222	0.7
114.02852	0.7
115.04026	3.0
119.03460	1.7
125.02452	10.2
127.11308	2.3
129.01958	1.9
129.10353	0.6
130.08760	1.1
131.03502	5.2
143.03517	4.0
149.04541	3.7
154.76973	0.6
159.03000	7.0
161.04556	40.4
162.04901	1.0
191.05699	2.3
207.24582	0.7
225.87628	0.7
233.06664	8.6
244.72910	0.8
289.16562	60.0
290.16898	3.6
293.08759	4.5
377.19196	1.0
421.16647	4.6
421.20770	100.0
422.21152	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	421.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90520	1.2
57.03439	3.0
59.01375	4.3
61.98827	5.3
69.30511	6.3
70.02980	9.0
71.05024	15.9
78.91858	1.5
87.05631	5.0
97.10929	1.2
99.04517	5.6
116.07189	2.9
129.05634	1.5
130.03322	10.6
146.08229	76.6
147.05997	2.6
147.08533	1.6
149.02460	2.7
164.04744	2.6
172.66653	1.3
208.03770	3.5
214.82866	1.3
217.11882	17.8
223.06091	10.4
277.12265	100.0
278.12460	6.4
319.13297	2.0
377.18134	1.8
421.16080	2.7
425.43304	1.3
438.67722	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	421.1871
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01378	27.4
61.98835	5.7
69.35409	3.8
71.01378	1.9
75.00875	1.7
81.03435	1.8
85.02959	1.5
89.02431	2.1
96.96006	1.7
97.02992	1.2
98.22649	1.7
99.00856	1.0
101.02438	4.1
109.02956	4.8
111.04546	1.4
114.68506	0.9
120.99647	1.6
121.02947	1.0
124.01650	5.3
125.02436	8.3
130.08720	0.9
133.32019	0.8
136.01756	1.1
137.02432	25.8
138.03238	7.7
139.03996	12.6
144.07753	1.1
145.02939	1.1
150.03285	0.9
151.03993	7.8
152.04805	5.4
153.05562	2.0
159.65022	0.9
162.03287	2.2
162.29669	0.8
162.93747	0.8
163.04004	3.5
164.04807	1.1
165.05569	1.8
175.04031	2.7
176.04761	1.9
177.05605	5.9
179.03540	1.2
180.04271	7.0
181.05048	11.1
191.07141	2.5
194.05817	5.5
195.06619	23.0
197.11954	0.9
205.05057	1.0
206.05901	1.2
207.06575	5.2
209.08162	4.3
223.09708	1.9
237.07664	1.3
257.17569	1.4
289.30951	1.1
313.08075	1.5
333.17651	1.2
361.12918	7.1
361.18542	1.2
362.13312	1.0
373.12744	1.0
375.14340	2.3
391.13953	11.3
392.14172	0.9
403.26974	2.9
406.16275	26.4
407.16516	1.7
412.58353	1.2
421.18695	100.0
421.28125	4.3
422.19122	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	421.208
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.07013	0.5
55.01878	7.6
55.07248	0.4
57.03447	6.3
58.00600	1.0
59.01378	43.2
59.02908	0.5
61.98822	1.3
63.08561	0.5
69.03454	2.4
71.01379	93.7
71.05022	0.7
72.01721	0.8
72.99310	1.5
73.02943	43.0
75.00869	2.0
81.03479	1.3
83.01386	13.7
84.01730	0.5
84.02189	0.9
85.02948	42.6
86.03282	0.7
87.00877	5.1
89.02442	23.8
95.01381	7.7
96.96001	0.7
97.02943	5.7
99.00880	17.7
99.04526	0.6
101.02439	65.5
102.02797	1.1
106.65177	0.5
111.00880	1.8
113.02450	35.7
114.02785	0.7
115.04015	3.9
119.03499	1.1
125.02448	9.5
127.03995	0.6
127.11301	2.0
129.01939	1.7
130.04541	0.8
131.03488	5.7
143.03476	4.4
149.04556	4.1
159.02992	7.3
160.03467	0.5
161.04555	40.2
162.04906	1.2
171.08524	0.8
178.02884	0.6
191.05620	1.9
215.05641	0.7
233.06651	10.4
289.16562	61.6
290.16943	3.7
293.08832	4.2
421.20773	100.0
422.15833	1.1
422.21054	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27532	0.6
50.43789	0.6
53.09752	0.5
55.01880	1.9
57.03445	1.7
58.00582	1.2
59.01376	100.0
60.01725	1.1
61.98834	3.2
65.91429	0.6
69.03449	1.3
69.65872	0.6
71.01379	63.8
72.99303	1.2
73.02943	16.1
75.00890	1.3
76.35943	0.5
83.01382	4.5
85.02949	12.2
87.00883	3.0
88.09118	0.6
89.02441	86.5
90.02791	0.8
95.01398	3.3
96.95985	0.6
97.02943	2.1
99.00873	15.3
99.04462	0.7
101.02441	43.0
111.00885	0.6
113.02446	20.1
115.04012	1.8
119.03502	24.5
120.03793	1.0
125.02438	4.4
131.03497	13.4
132.56311	0.6
143.03496	6.2
149.04552	33.8
150.04871	0.9
151.33322	0.6
161.04565	4.3
179.05611	11.8
184.30482	0.5
191.05649	7.4
193.05078	1.3
206.50623	0.6
221.06595	0.8
223.77118	0.6
229.70692	0.6
233.06564	2.9
251.07706	2.0
287.03403	0.5
289.16565	3.9
293.08548	1.7
343.13437	1.3
361.14374	1.1
377.17114	0.8
421.20728	57.4
422.21152	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	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94133	0.6
61.83604	0.7
64.11384	0.7
79.97157	0.7
80.91680	3.2
82.78342	0.6
96.95968	0.9
98.37314	0.7
108.08570	0.8
158.64587	0.7
163.11287	100.0
164.11627	5.9
202.50955	0.8
236.60493	0.7
339.23276	71.2
340.23633	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	422.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00667	1.4
61.98828	100.0
98.91640	1.3
100.43926	1.4
113.97882	1.2
136.82733	1.3
145.02950	5.1
160.84207	5.3
277.12085	1.5
398.87732	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	422.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51949	1.3
58.02966	5.4
59.01378	18.5
61.98829	5.4
65.26727	1.5
69.77011	5.3
71.01383	12.0
72.00964	1.8
73.02949	3.7
74.02471	17.1
78.95901	28.8
79.95753	1.9
82.02987	2.3
86.02494	4.6
86.06126	1.8
87.05669	3.4
89.02465	9.1
91.16277	1.9
94.98094	5.1
96.00906	3.1
96.96014	100.0
96.96969	50.0
96.97598	3.2
97.04088	2.9
99.00846	2.0
99.05637	11.7
101.02445	5.8
101.07230	2.0
102.05594	2.0
107.06142	2.5
111.08166	2.1
112.04077	2.1
112.16368	1.6
113.02449	4.0
117.03461	3.1
118.18479	1.6
119.03513	2.5
119.05007	3.5
127.05169	2.9
127.55386	1.5
128.03540	38.3
130.08774	2.0
135.05653	1.9
137.07063	1.7
141.06795	2.7
143.04620	42.1
145.02971	18.7
146.04610	4.1
149.04584	3.7
153.06740	2.8
155.10809	2.3
155.93846	8.2
160.00748	12.3
163.03992	2.8
166.09888	2.2
167.04541	2.9
173.08220	3.0
177.03333	3.9
179.04646	6.3
180.06667	2.1
185.05582	1.7
189.99332	1.6
193.01837	2.6
205.05028	3.2
210.08890	7.3
218.99825	2.9
235.02892	7.5
237.30611	1.7
242.07906	1.9
254.07773	14.4
257.96939	2.2
260.12228	2.4
261.00757	16.0
272.08841	19.2
273.09213	2.2
288.06625	7.3
306.07645	84.8
307.07861	4.6
325.09219	6.5
335.10400	2.2
346.84540	1.8
378.18277	2.4
379.16022	7.6
404.14590	4.0
422.20645	9.4
423.15842	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	423.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01379	6.8
61.98826	2.0
71.01385	3.3
71.45986	0.5
73.02946	1.0
74.01489	0.4
74.02470	1.6
75.00877	0.7
78.95902	25.8
79.95727	2.9
85.02954	0.6
89.02451	1.3
94.98107	0.6
96.96014	100.0
96.96964	54.2
99.04500	0.7
99.05642	0.6
101.02440	2.1
113.02448	1.2
117.03462	2.9
118.96633	1.2
119.03445	0.6
119.05015	2.4
127.05037	0.6
128.03529	2.8
130.08743	0.7
138.05637	0.6
141.06656	0.6
143.04602	2.6
144.04955	0.9
145.02962	15.3
146.08258	0.6
149.02489	0.6
149.31226	0.5
156.98149	1.0
161.09676	2.1
163.04015	2.0
164.04745	0.8
175.00417	1.2
175.03983	0.5
179.03493	0.6
179.07193	0.5
190.02711	4.9
191.00253	0.7
193.01836	2.6
201.01695	1.4
201.11365	1.4
205.05023	7.0
210.09039	0.5
217.91646	0.6
218.99834	1.9
223.06140	1.6
233.01294	1.4
235.02818	4.9
243.17128	1.0
254.07788	0.6
259.01352	0.7
261.00751	12.5
261.03427	0.7
261.13541	0.8
265.07236	0.5
272.08783	0.8
273.09091	0.8
303.01752	0.7
306.07571	2.0
307.07803	3.3
316.90903	0.6
325.09210	4.4
331.10822	0.5
344.09848	0.6
385.11331	2.1
387.22351	0.6
418.34189	0.6
423.17163	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	423.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57191	0.6
59.01380	9.8
59.96992	0.6
69.65904	2.3
70.93942	0.6
71.01366	3.1
73.04057	3.1
78.32507	0.6
80.91688	3.6
82.95419	13.1
85.02959	0.6
89.02448	2.9
89.43059	0.6
95.01423	0.7
98.36492	0.6
99.02001	0.6
101.02423	1.6
102.05654	0.6
102.98554	0.7
106.26220	0.6
106.75935	0.6
112.05166	1.4
113.02441	1.1
117.06664	1.5
119.03530	0.8
130.06210	3.5
132.02145	1.0
133.02953	21.9
134.03683	0.8
135.04535	8.0
141.00426	1.8
147.04543	1.1
149.06030	0.7
161.02444	100.0
162.02774	4.3
164.07205	3.0
169.07292	3.2
171.02995	2.0
173.00922	2.3
175.02502	1.8
175.03911	0.7
177.05589	1.2
177.10370	1.0
179.03502	18.9
180.03851	0.7
187.08455	1.0
187.99722	0.9
199.02480	0.9
201.00392	2.3
203.03455	2.5
215.02019	1.6
217.03577	1.5
219.01439	1.6
221.04509	1.3
221.09355	0.6
234.12296	0.7
243.01445	7.6
244.01411	0.7
251.05666	0.9
261.02570	6.4
261.73303	0.6
281.06641	1.6
291.14554	1.0
293.07047	0.6
303.03531	1.2
333.04688	0.8
335.13593	1.7
341.08777	40.9
342.09256	3.2
363.05704	2.8
379.16232	9.0
423.07779	5.1
423.19113	2.4
424.08188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03432	1.5
59.01379	48.7
60.92698	0.7
61.98833	4.8
70.10184	1.4
70.10541	1.4
71.01387	12.7
73.02942	3.5
78.91905	0.8
80.91682	17.9
82.95410	8.4
83.01385	1.3
85.02969	3.8
87.00861	1.0
89.02457	6.4
95.01422	0.8
96.96025	1.4
101.02439	8.2
109.02934	0.8
113.02477	5.0
119.03497	2.6
120.24168	0.7
132.02179	0.9
132.27016	0.9
133.02956	20.9
134.03725	1.2
135.04526	9.7
141.00438	1.2
153.00377	0.9
161.02446	100.0
161.04585	3.0
162.02757	4.3
163.70454	0.8
173.00916	1.1
173.04529	1.4
175.02510	3.0
177.05591	0.9
179.03503	19.2
180.03801	1.2
181.17101	0.9
185.49350	0.7
190.01155	0.7
201.01778	5.5
201.11328	3.1
203.03543	2.2
209.88498	0.7
215.02007	1.0
215.95042	0.9
217.03667	1.4
219.01501	2.9
221.04510	2.0
243.01503	2.3
261.02582	6.4
261.13358	1.1
281.06647	1.4
319.06561	1.0
341.08762	41.5
342.08966	2.3
345.15573	0.8
353.42532	0.7
363.05988	6.1
363.16599	48.2
364.16861	2.4
423.18930	2.1
423.23828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71476	0.4
57.03408	0.4
58.99873	0.6
59.01377	11.5
69.01949	0.8
70.99874	0.7
71.01377	10.0
72.99275	0.6
73.02937	0.5
74.99371	2.3
78.95864	0.7
80.91674	1.6
82.99889	0.7
83.01371	1.0
85.01447	2.0
85.02972	1.2
86.99387	1.1
87.00854	0.9
89.02440	9.9
95.01418	0.6
96.96963	1.4
98.99377	13.1
99.00844	0.8
99.99500	0.5
100.00161	1.0
101.00941	8.0
101.02424	3.6
102.98888	3.3
103.92012	1.0
104.92818	0.5
111.00862	2.7
113.00965	3.9
113.02445	3.3
114.98916	0.5
115.02581	0.6
115.99660	2.7
117.00446	4.1
117.01938	0.5
117.97628	0.7
119.03487	3.3
125.00951	10.6
126.01059	0.8
126.98844	2.2
127.02523	0.8
129.00427	0.7
130.98312	0.6
133.01465	0.5
139.02487	0.4
141.00438	44.5
142.00545	3.2
142.33644	0.4
143.03464	1.4
143.33173	0.5
143.99149	3.7
153.00435	18.0
154.00604	1.3
155.01994	1.8
156.99971	0.6
158.93837	0.5
161.04567	0.9
165.00455	1.2
167.02014	3.1
168.99982	0.6
171.01495	2.5
179.05583	3.7
183.01469	14.9
184.01662	1.5
185.03067	0.6
191.01974	1.9
195.01485	40.3
196.01616	2.9
199.94145	1.4
201.02545	10.2
202.02711	1.1
207.01553	0.8
213.02466	0.7
217.01862	1.2
217.78792	0.4
225.02513	1.7
229.95079	1.2
243.03578	100.0
244.03784	10.0
255.03641	2.0
261.04648	0.9
273.04599	3.2
280.57474	0.4
303.02466	0.9
303.05695	10.5
304.05777	1.4
315.94928	0.4
318.90796	0.7
333.96301	0.8
341.10858	18.1
342.11160	1.4
363.07822	22.0
364.08075	3.4
423.10004	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	423.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	93.7
61.98815	19.0
69.71811	22.3
71.01377	29.0
78.95906	62.4
80.73955	7.7
81.46040	7.3
86.41133	8.8
89.02440	19.8
96.96006	47.7
96.96970	100.0
101.02494	13.0
113.02426	12.5
117.03484	14.9
118.73722	7.5
119.04992	16.2
128.03471	16.2
135.04500	12.4
139.19026	8.3
143.04517	11.3
145.02971	94.5
161.04568	9.5
163.03976	11.4
179.03484	19.9
199.13365	11.2
201.11259	21.8
238.73524	8.4
243.17152	20.6
261.00830	23.8
261.13486	59.8
307.07904	11.0
325.09219	32.1
395.22345	9.9
423.10336	32.6
423.18417	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	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
57.03450	3.9
59.01379	41.3
61.98825	3.3
69.31283	3.7
69.31686	2.6
71.01381	48.0
73.02950	32.1
75.00818	1.6
75.48239	1.2
83.01391	12.8
85.02940	26.7
85.03460	1.5
87.00887	3.4
89.02447	10.2
91.53299	1.2
93.93096	1.1
95.01389	5.3
96.96017	3.7
97.02976	2.6
99.00877	10.6
101.02442	57.5
111.00887	2.2
113.02448	23.1
115.04111	1.3
115.36323	1.1
118.88374	1.3
125.02429	4.2
131.03508	4.7
143.03522	2.4
159.02960	2.9
161.04553	16.2
199.13428	2.0
225.14890	9.5
233.06503	2.0
271.10483	1.3
291.18130	89.4
292.18460	5.6
365.05234	1.3
391.85928	1.5
423.22357	100.0
424.22925	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40858	4.0
53.40673	4.3
59.01380	10.5
61.98814	8.5
87.15563	4.5
96.96016	43.2
98.37953	4.5
142.12535	3.9
149.02626	4.8
186.24031	4.5
382.09613	4.3
383.03436	5.4
387.20129	14.0
404.38724	4.5
423.07361	16.2
423.17859	100.0
424.17880	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	423.1792
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
51.66043	6.4
54.85445	6.6
59.01386	19.8
61.98821	8.3
64.11476	6.5
69.13353	34.2
69.13773	15.9
71.01389	13.2
74.02471	9.5
74.31274	6.5
86.78877	6.2
89.02441	8.2
96.96017	14.1
99.19904	6.5
99.50838	7.4
101.02433	9.5
132.38625	7.7
155.12103	6.9
273.58099	7.0
347.36685	6.9
423.17932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08041	1.7
69.85252	2.9
69.85576	1.8
72.42438	1.2
73.55418	1.6
78.95911	12.2
87.04619	1.3
103.04613	1.6
110.98514	8.9
116.92797	1.7
142.94456	1.6
152.99564	2.5
167.01184	9.1
185.02258	2.5
198.63771	1.6
255.23282	100.0
256.23599	7.7
339.19901	1.9
392.22855	1.6
421.11588	1.3
423.25089	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	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14336	3.0
57.83639	3.2
59.44804	2.9
61.98836	4.9
69.40263	12.0
77.72903	3.1
78.95898	17.3
80.31200	3.0
98.22616	7.2
106.18966	2.9
110.98533	6.1
116.92837	4.3
121.02347	3.2
141.12433	3.3
152.99591	7.3
167.01164	7.0
239.02852	3.0
255.23291	100.0
256.23660	10.7
339.19806	5.6
402.97742	3.9
423.25174	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	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91386	2.2
55.67831	2.6
59.91166	2.4
61.98829	2.2
78.95908	11.6
96.13427	2.1
98.57407	2.0
101.72040	2.4
106.34132	2.5
108.53024	2.0
110.98520	5.9
141.86818	4.8
143.86496	5.2
152.99596	3.0
167.01091	6.5
222.25470	2.2
235.04254	2.3
255.23277	100.0
256.23566	8.5
339.19931	2.9
361.90588	2.4
401.62354	2.8
423.25217	15.8
424.10330	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	20.2
61.98824	20.3
69.26551	100.0
78.95277	17.6
89.32413	17.8
110.17067	16.7
110.63704	17.7
216.90195	18.0
257.31311	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	424.2493
Annotation	Lythranidine
Peak:m/z	Relative Intensity
61.98820	2.7
66.61163	1.7
69.09618	13.3
78.90144	1.8
86.01978	3.7
86.02478	56.9
128.86073	1.8
139.77577	1.8
147.08153	2.2
163.11272	6.4
187.11288	3.1
309.22241	2.5
316.46112	2.0
337.21729	100.0
338.22089	10.1
342.80737	2.1
395.08951	1.7
398.15927	1.8
424.24911	73.7
425.25171	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	72.2
60.01706	0.5
69.15882	2.1
79.11191	0.3
82.05633	0.4
83.14735	0.4
113.04585	0.6
141.99985	3.1
157.03571	6.1
158.03728	0.4
159.01544	2.4
184.00990	4.6
185.01186	2.1
186.00783	0.6
201.02548	100.0
202.02710	7.3
211.43333	0.3
284.01016	4.6
284.11182	0.5
327.02435	0.9
343.03708	28.8
344.03864	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	425.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	17.2
61.98826	26.2
70.57806	12.8
82.95411	48.9
120.90649	12.4
120.99685	26.7
135.59982	13.3
191.96382	12.3
227.07056	37.9
365.06589	15.8
425.08817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1819
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
59.01378	100.0
61.98829	6.5
69.33223	11.2
71.01382	50.9
83.01396	3.0
83.05047	2.9
85.02955	11.6
87.00873	2.7
89.02448	54.9
95.01373	4.4
95.03281	2.1
101.02438	29.1
113.02471	18.0
117.07115	2.7
119.03493	20.4
130.08687	2.2
143.03531	2.6
145.02934	3.4
145.06523	3.1
159.11841	5.3
161.04581	4.8
164.07149	3.1
171.08183	9.2
172.08565	2.6
175.02463	2.3
179.05589	4.0
183.11859	2.2
185.09737	5.6
186.10506	37.7
187.10843	3.4
199.11266	5.4
201.12843	88.8
202.13234	4.5
217.39926	2.5
245.11815	94.8
246.12114	7.7
263.14948	3.5
290.86670	2.3
391.12976	5.1
425.18066	53.3
426.18463	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	425.1819
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.03449	1.5
59.01380	63.8
60.80115	1.3
61.49057	1.3
67.39874	1.4
70.52267	3.1
71.01010	2.2
71.01377	30.1
78.37963	1.2
83.01385	2.3
83.05019	2.7
85.02952	5.2
89.02446	26.6
95.01418	2.3
98.21974	1.7
101.02457	14.7
107.72261	1.4
109.45188	1.1
113.02455	9.2
117.07104	3.5
119.03481	11.4
119.08678	2.8
125.11672	1.1
130.36029	1.2
131.03529	1.4
145.06561	4.4
159.11823	5.0
171.08160	8.3
179.05482	1.9
180.59367	1.4
183.11801	2.1
185.09772	4.1
186.10492	33.6
199.11261	5.7
201.12849	100.0
202.13213	6.3
245.11816	79.7
246.12195	5.9
400.34998	2.0
425.18161	60.6
425.24030	2.9
426.18533	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	425.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
57.03458	2.7
59.01380	89.1
61.98822	7.7
66.68553	1.7
69.88799	5.1
71.01379	37.9
73.02938	11.8
75.00882	1.7
82.65944	1.7
82.95402	2.4
83.01395	4.8
85.02932	13.7
85.89568	1.6
87.00880	5.9
89.02439	20.3
93.66313	1.9
93.76132	1.7
95.01408	3.4
96.96023	4.8
97.06593	3.5
98.22600	2.7
99.00878	6.2
99.92577	14.5
100.93354	11.0
101.02438	28.2
113.02454	19.2
114.05626	2.4
115.92058	17.1
116.92862	12.6
119.03513	7.2
120.01277	3.8
120.99627	2.1
128.43127	1.9
129.09218	5.4
131.07132	2.8
133.02969	4.5
134.03737	6.6
141.89790	1.7
143.03458	2.2
145.02933	5.3
159.02972	3.5
159.10255	18.1
161.04575	17.9
163.04042	3.4
179.05591	3.7
203.12943	4.7
217.96677	2.4
218.97536	6.4
224.94966	2.2
242.96117	3.0
245.98660	3.7
250.37183	1.8
262.96490	9.5
304.13971	2.4
328.05704	3.7
365.18121	100.0
366.18530	8.4
387.22391	2.2
425.01846	30.1
425.16599	6.0
426.23669	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	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.2
58.08248	2.5
59.01378	100.0
61.98824	7.6
69.71162	6.1
71.01378	49.9
73.02949	12.3
75.00844	6.0
78.95902	7.1
82.95441	3.7
83.01415	7.3
85.02955	13.2
88.04056	4.9
89.02446	38.6
95.01398	5.4
96.94221	3.0
96.96015	16.6
96.96949	7.1
98.95590	22.9
98.96431	4.9
98.97416	3.1
99.00880	12.0
99.92578	49.2
100.92706	5.9
100.93350	31.7
101.02441	33.7
113.02471	18.4
114.05598	4.2
115.92077	49.1
116.92868	23.3
119.03516	14.6
119.05026	8.9
127.05153	2.7
128.03506	10.4
130.08707	2.8
131.03493	3.6
134.03691	8.6
141.93610	3.3
142.94461	3.4
143.03523	3.8
143.04546	3.8
145.02962	20.6
149.04553	7.8
161.04535	12.5
163.04015	2.8
174.47038	2.5
179.05635	5.5
183.10117	3.1
192.04364	5.3
201.73470	3.0
203.12901	6.3
207.06670	18.5
212.95000	3.8
217.96732	4.6
218.97583	16.4
221.05272	2.7
242.96040	10.1
245.98671	9.6
246.97115	5.4
258.73169	2.6
260.97144	6.0
261.97787	8.4
262.96509	32.9
263.96664	4.3
293.16006	5.2
325.09573	3.9
328.05829	14.2
365.18121	98.5
366.18402	5.7
379.16061	21.6
388.99658	9.0
401.90256	2.9
425.01849	35.0
425.24304	3.6
426.01837	4.8
426.23560	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71191	0.4
58.24747	0.4
59.01381	100.0
60.01729	1.1
61.98840	0.5
62.37962	0.4
67.65450	0.5
76.25362	0.5
92.92805	0.6
145.78329	0.4
180.18423	0.4
197.47339	0.4
291.19641	3.6
309.20862	1.8
353.19290	1.2
425.17715	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	0.8
61.98833	0.6
63.19833	0.4
69.44477	0.6
69.44863	0.8
92.92826	0.4
134.66576	0.4
135.49521	0.3
165.12848	0.4
238.97682	0.4
291.19608	3.4
309.20950	0.9
330.13275	0.4
353.19073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1184
Annotation	Eupachloroxin
Peak:m/z	Relative Intensity
58.78785	0.8
59.01374	1.6
62.36804	0.6
70.79253	0.9
72.00903	20.1
84.95109	3.1
91.05540	1.3
103.05574	0.8
108.97166	2.3
112.96853	0.7
116.19382	0.6
127.96656	1.2
141.98209	2.7
147.04517	48.9
148.04845	2.5
154.97780	5.4
164.07149	63.7
165.07486	1.9
180.52415	0.6
187.98723	3.6
200.98308	3.8
261.96185	0.6
283.03357	0.9
308.03421	1.0
312.26736	0.8
335.05545	2.4
427.11819	100.0
428.12125	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	427.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
61.98833	4.1
69.77815	1.7
69.78170	0.7
71.01384	0.7
71.03340	0.5
75.21777	0.6
77.40978	0.5
84.93871	3.6
96.96001	0.8
96.96998	0.7
98.21953	0.7
99.00880	0.7
99.92583	43.9
100.92652	1.9
100.93360	25.8
101.93381	1.1
110.24228	0.5
112.26875	0.6
115.92075	44.2
116.92858	100.0
117.92907	4.9
117.93653	1.1
118.89957	0.7
132.92401	0.5
171.10135	0.6
175.46420	0.5
255.03242	0.7
263.03708	0.9
267.03247	1.1
268.09595	0.7
276.04565	1.2
282.05530	0.7
285.04468	0.8
293.04858	12.8
294.05179	1.6
297.04144	0.8
310.05249	1.0
311.05798	1.9
322.05093	10.1
323.05521	1.4
327.21716	2.5
329.22574	0.9
373.11121	14.9
374.11246	1.9
387.08911	1.4
389.56107	0.7
391.12177	18.2
392.12598	2.7
405.10107	4.2
406.10419	0.8
409.13098	4.7
410.13373	0.8
427.14221	25.2
427.18765	1.2
428.14511	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	427.1601
Annotation	Rosarin
Peak:m/z	Relative Intensity
55.01884	2.2
59.01380	87.9
60.28750	1.5
66.70135	1.4
68.03263	1.3
69.03461	6.2
70.85322	2.9
71.01379	76.1
72.19746	1.5
72.99294	2.8
73.02934	12.4
75.00887	2.8
81.03465	6.1
83.01397	5.7
85.02951	6.9
87.00878	2.5
89.02444	100.0
90.02767	1.8
97.02937	15.0
99.00872	20.4
99.04517	3.1
101.02451	20.1
111.00863	1.9
113.02428	9.9
115.04008	6.8
124.75526	1.5
125.02448	52.4
127.04005	1.7
131.03477	8.8
132.05850	2.7
133.06592	58.3
143.03508	5.1
149.04553	16.9
161.04561	3.7
169.24667	1.6
191.05583	10.6
233.06650	40.8
233.08849	2.7
234.07034	1.9
263.02374	2.3
293.08768	47.4
294.09183	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42712	9.6
59.01379	100.0
61.98834	14.3
69.65733	10.9
70.39140	9.7
84.22871	11.7
92.92825	10.4
118.98093	18.0
127.13788	10.8
174.35596	10.7
174.96472	10.2
293.21228	16.8
305.21204	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.82827	11.4
61.98802	18.1
74.06918	10.3
92.92819	11.6
109.30819	12.4
159.49828	13.9
227.02473	13.5
252.36034	14.6
293.21030	16.3
311.22198	20.0
316.12894	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	427.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	69.5
61.98831	79.8
62.29665	38.1
78.00741	37.9
103.01245	36.8
117.60795	37.6
147.96646	48.4
176.26518	45.6
237.63901	45.7
302.72928	48.1
427.27054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	53.1
61.98832	18.5
65.43548	14.4
66.69657	18.0
69.32270	45.2
91.04016	50.3
98.21835	31.4
134.42332	16.3
200.25008	15.2
210.62254	14.6
221.15446	100.0
351.24161	15.4
379.90320	15.5
427.27347	55.3
443.85046	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	428.184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	25.0
68.26646	11.1
70.66244	10.0
70.66596	18.5
78.19960	10.1
93.12616	9.6
96.04522	14.5
112.78524	11.3
127.11243	19.2
128.17526	9.4
131.53847	9.0
178.12315	12.8
213.07466	11.1
222.11380	25.0
231.17998	11.6
282.25137	10.3
332.22162	22.9
350.23401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.2
59.01378	43.6
61.98832	14.5
69.33504	15.1
71.01395	19.5
72.00904	4.5
73.04071	19.0
74.02473	67.2
82.06602	4.4
87.05668	4.8
88.04042	11.1
89.02441	25.7
93.20661	3.8
98.02441	5.1
101.02461	13.3
101.07214	5.1
104.03530	29.3
107.05023	4.2
113.02435	8.2
114.05611	6.4
115.00385	5.9
115.08768	50.5
116.07191	4.6
119.03519	9.5
127.05141	10.2
128.03506	11.3
129.10338	32.0
130.08752	25.8
130.43817	3.9
134.03758	9.2
135.04553	5.3
139.08809	7.6
143.11916	27.4
144.07816	10.1
145.06198	9.4
146.06073	6.9
149.06026	5.3
152.99577	4.4
155.11949	24.6
161.04568	4.9
163.04007	14.6
169.09790	12.1
179.05620	19.5
180.06630	12.1
181.13373	5.0
187.10847	10.1
193.05110	4.9
200.13991	4.0
207.02975	8.4
208.13516	4.8
211.14510	14.5
225.16118	4.0
228.17114	17.0
242.18797	6.8
256.20309	16.3
266.11896	11.0
268.20264	4.0
342.23886	7.9
355.27100	7.5
367.27087	15.3
385.28333	4.7
399.26080	38.0
411.22174	8.5
424.83350	4.1
428.18338	16.3
428.25021	56.1
429.14047	9.9
429.22272	8.1
429.27829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43584	4.5
59.01383	29.7
61.98826	5.9
67.58798	4.0
69.27187	25.4
70.13865	4.1
71.01386	30.1
72.78112	3.7
73.02942	6.3
73.04072	9.7
74.02477	33.1
79.89622	4.3
81.70340	4.2
85.02959	11.3
87.05637	14.8
88.04043	45.8
89.02448	18.4
98.02479	6.6
98.76912	4.6
100.09107	5.6
101.02428	19.6
102.05599	4.3
104.03548	5.3
113.02437	13.7
115.00368	15.1
115.08772	9.2
116.07178	4.5
116.92551	4.3
117.46777	4.6
119.03519	5.7
119.36783	4.3
126.04421	5.0
127.05113	8.2
128.03517	34.9
128.61391	4.0
129.10358	21.7
129.99396	4.3
130.08722	26.3
138.06888	7.3
143.11890	16.2
143.27167	4.6
144.07764	13.5
145.06177	9.9
147.72688	4.2
151.07622	7.8
152.08473	14.2
153.09216	54.8
155.11932	5.5
157.13368	4.8
159.02953	5.9
161.04517	23.4
166.08713	6.4
169.09935	5.4
179.05663	6.9
183.11208	5.7
187.10966	10.6
193.13417	8.2
196.14682	6.7
197.12772	4.9
205.12297	11.8
207.15091	12.3
222.53436	4.5
223.13342	26.6
225.16154	4.4
241.11937	12.9
244.49654	4.2
256.20328	13.4
275.91711	5.5
281.11472	11.7
281.19894	10.2
295.21332	15.1
299.20795	18.6
300.19165	4.9
302.10635	4.9
313.22400	10.9
314.20712	9.7
321.55643	4.4
385.18735	57.2
385.23962	8.1
386.19055	8.0
394.19849	12.7
399.26157	11.3
411.22583	20.8
428.19519	8.5
428.25104	100.0
429.17627	6.2
429.23019	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
56.74678	1.1
57.03453	7.0
59.01378	93.1
61.98820	4.9
64.92313	1.1
69.03455	1.3
69.73006	1.5
69.73355	3.5
71.01382	46.5
73.02946	17.3
81.03451	1.1
83.01382	5.4
83.05029	3.4
85.02947	26.5
87.00872	13.7
89.02443	20.3
95.01390	5.2
97.06569	1.3
99.00861	3.8
100.50021	1.3
101.02441	31.2
107.05022	4.1
113.02451	23.5
114.05610	1.4
119.03506	11.0
121.06558	4.5
129.01962	3.5
130.08731	2.1
131.03430	1.8
135.04465	2.4
137.09721	13.6
139.23764	1.3
143.03477	5.2
159.02992	6.9
161.03203	2.7
161.04556	54.7
161.09683	7.0
161.13411	2.9
163.11266	2.8
173.09653	1.3
175.11269	4.5
177.12836	2.7
179.05592	6.9
182.30550	1.3
182.82318	1.2
187.11253	12.9
189.09158	2.1
198.80925	1.3
203.10635	2.5
204.11511	8.8
205.12321	100.0
206.12668	5.6
207.10275	5.5
223.13373	44.6
229.12254	5.5
246.72261	1.2
247.13368	9.3
249.11284	4.9
259.13373	3.9
267.12369	86.8
277.14404	11.3
309.13596	2.9
367.17618	16.1
368.17834	1.5
369.15585	2.8
380.69733	1.4
428.25363	1.9
429.17697	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	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.3
58.54989	3.9
59.01376	81.9
59.93312	4.0
61.98819	16.7
70.30301	8.7
71.01379	54.6
73.02937	17.1
81.60479	4.3
82.95407	4.2
83.01395	6.4
85.02942	26.9
85.11008	3.9
87.00874	17.7
89.02440	32.2
96.70433	4.5
101.02450	35.4
111.00819	4.5
113.02459	25.0
114.05600	6.6
119.03497	9.7
129.01999	4.7
130.08708	12.5
137.09727	19.2
143.03477	7.4
159.02989	7.8
161.04565	67.1
179.05597	5.9
187.11331	12.2
204.11545	9.2
205.12329	100.0
206.12581	8.7
219.31306	4.7
223.13408	25.2
247.13330	12.4
267.12396	16.8
268.22827	4.2
277.14456	12.3
303.38898	4.1
367.17468	17.5
394.20096	6.4
411.22061	5.2
428.25748	6.1
429.27301	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	428.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65292	1.6
59.01374	4.0
61.98832	100.0
69.43017	4.6
69.43417	3.2
81.12314	1.6
82.70768	1.5
89.83488	1.5
96.96030	2.2
99.92574	3.6
99.95156	1.6
118.90005	2.3
134.89406	2.5
156.06146	1.8
166.21742	1.6
168.58768	1.7
175.36328	1.5
223.51740	1.5
311.22299	15.2
312.22583	3.3
336.97061	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	428.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14410	1.3
59.01381	12.9
61.98831	100.0
66.55922	1.3
71.47119	1.4
72.03332	1.2
78.71668	1.4
78.80658	1.3
96.96042	2.1
99.92590	7.0
102.47536	1.6
118.89973	6.8
134.89510	2.1
135.90204	2.3
242.53860	1.4
248.84898	1.5
374.47348	1.7
392.13248	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	428.2804
Annotation	Hippolide B
Peak:m/z	Relative Intensity
51.17403	1.5
61.98812	2.1
95.93342	1.8
96.00890	2.0
124.00415	2.5
126.01992	3.8
139.02748	4.8
168.10301	26.1
194.11879	2.7
196.09747	12.9
218.51427	1.8
231.17615	2.5
327.24582	1.7
356.22473	1.9
384.29337	3.7
428.28027	100.0
429.28400	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75724	4.5
59.01368	8.7
60.51293	5.7
61.98831	32.2
66.77680	5.7
71.42230	5.0
99.92589	40.2
100.93351	30.3
105.53596	4.5
115.92089	58.0
116.92858	100.0
117.92786	5.4
118.89980	8.4
128.28435	5.4
132.83542	4.8
200.44893	4.9
293.04877	16.0
329.23325	7.4
375.12607	13.8
393.13806	33.0
411.14621	6.7
429.15796	22.8
430.17133	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.5
57.65154	0.9
59.01377	100.0
60.01705	1.3
61.98812	3.6
69.03451	1.3
69.22703	5.0
71.01382	13.8
73.02946	7.2
75.00870	1.8
81.95899	0.8
83.01385	6.2
83.05011	1.4
84.26730	0.9
85.02941	4.9
87.00881	3.1
89.02444	13.0
91.43932	0.7
93.58773	0.8
95.01378	1.7
97.02911	1.1
97.06583	3.5
99.00873	1.0
99.04557	0.9
101.02439	12.4
107.05027	8.1
109.06596	1.4
111.05681	0.9
113.02449	8.9
119.03486	3.8
120.05833	1.1
125.02423	0.8
130.08727	3.5
135.04535	2.4
140.28233	0.9
141.05580	1.3
143.03542	1.2
149.32413	0.8
161.04495	2.3
161.09727	3.6
161.13324	2.9
162.00491	0.8
163.11263	1.8
169.75533	1.0
179.05545	1.8
185.13519	0.9
187.11266	6.3
189.09187	2.1
200.13579	0.9
203.10721	1.0
205.12325	5.5
207.10263	3.8
223.13380	72.4
224.13675	5.7
249.11360	6.6
265.14447	1.2
267.12366	46.4
268.12680	2.8
284.03229	2.3
285.04169	6.1
291.12244	1.0
309.13370	1.2
369.15424	2.2
395.23053	1.9
407.79202	0.9
410.83408	0.8
429.08423	5.6
429.16650	5.9
429.22165	1.5
429.26480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.98998	2.1
71.01016	2.9
71.01389	46.8
72.99303	2.9
73.11195	2.2
74.51310	2.4
75.39034	2.3
81.07117	3.1
81.39711	2.3
83.01417	2.0
85.02929	4.9
88.89825	2.1
89.02447	52.3
95.01388	2.5
96.75024	2.2
97.22386	1.9
97.58379	2.2
99.04517	6.8
101.02459	24.3
113.02448	21.6
119.03519	21.6
131.03500	2.7
143.03508	3.5
161.04544	4.9
161.13345	16.8
179.05540	6.9
205.12349	42.2
249.11298	67.2
250.11678	5.2
337.28333	2.3
421.11563	2.3
429.17496	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
58.00579	1.5
59.01376	100.0
70.95300	1.8
71.01382	40.5
73.02948	1.3
81.07082	2.5
83.01382	1.8
85.02949	7.7
87.00895	1.8
89.02441	58.1
95.01389	2.2
97.37679	1.0
99.04543	7.5
101.02444	24.9
113.02444	16.5
114.02763	1.3
119.03504	24.8
122.01432	1.1
125.06087	1.4
131.03497	1.6
143.03526	2.5
149.04572	1.8
150.06807	1.6
161.04504	1.9
161.13368	24.1
179.05609	9.3
183.03760	1.3
187.11282	3.2
205.12326	52.4
206.12659	3.5
249.11311	86.0
250.11659	5.8
429.17636	22.7
430.18100	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.1
59.01379	100.0
61.81858	1.6
63.42923	1.6
69.38409	2.5
69.38743	8.4
71.01382	15.0
71.04981	1.7
83.01419	2.5
85.02941	2.5
87.00876	6.0
89.02453	14.3
95.01392	2.9
97.06582	6.5
101.02457	8.7
107.05032	18.6
113.02450	8.3
119.03506	3.1
120.05790	3.8
135.04521	3.6
150.17438	1.8
161.09695	14.0
161.13330	4.4
179.05696	2.8
187.11275	19.9
189.09264	4.8
203.10869	2.5
205.12329	8.1
207.10168	5.1
223.13394	86.1
224.13847	5.4
249.11295	9.4
267.12363	93.8
268.12659	5.2
291.12213	2.2
309.13434	3.5
309.45374	1.9
369.15494	3.1
429.17691	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
59.01379	100.0
60.16214	1.6
68.32301	1.4
69.92073	3.9
71.01384	12.6
71.05024	1.4
73.02956	3.9
83.01414	2.1
83.05019	2.5
83.66136	1.4
85.02964	4.4
87.00870	7.1
89.02437	11.4
97.06612	6.2
101.02464	7.3
103.65025	1.3
107.05013	11.3
113.02453	6.0
119.03526	3.8
120.05803	3.2
128.71921	1.3
135.04512	3.8
137.80867	1.4
161.04485	1.5
161.09752	10.1
161.13335	4.0
163.11345	1.8
179.05655	2.3
187.11264	15.2
188.11736	1.9
189.09230	4.6
203.10716	2.3
205.12346	5.1
207.10335	5.1
223.13396	72.5
224.13762	3.6
249.11288	9.0
267.12387	86.8
268.12762	6.5
309.13449	2.6
369.15405	1.6
429.17685	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98462	0.4
53.87319	0.5
55.01887	0.6
57.03448	3.9
59.01378	100.0
60.01720	1.0
60.70207	0.5
70.38274	1.1
71.01382	13.9
71.05022	1.1
73.02956	2.0
75.00859	0.5
77.63680	0.4
81.03474	0.6
83.01390	2.7
83.05036	0.7
85.02969	3.0
87.00874	5.3
89.02443	14.8
95.01392	1.4
95.05036	1.1
96.00908	0.4
97.06592	6.6
98.21992	0.6
99.04519	0.5
101.02449	7.9
105.07137	0.6
107.04295	0.8
107.05031	15.9
109.06622	0.6
110.02493	1.1
113.02452	8.4
119.03515	4.7
120.05833	3.4
123.57310	0.5
131.03516	0.7
135.04539	3.2
140.07198	0.6
141.05559	1.5
143.03546	0.5
153.02998	1.0
159.08163	0.9
159.11813	1.3
161.04591	1.3
161.09711	12.8
161.11073	0.6
161.13368	5.2
162.10107	0.6
163.11287	2.5
171.18491	0.4
179.05637	1.9
179.10896	0.5
185.09671	0.6
185.13361	0.8
187.11285	17.0
188.11644	0.6
189.09190	5.5
203.10750	3.0
205.12297	6.6
207.10222	3.9
223.13388	69.4
224.13715	5.2
229.12277	1.7
247.13509	0.7
249.11302	9.6
265.14520	0.6
267.12372	96.2
268.12671	6.2
291.12463	1.9
309.13504	1.9
331.15659	0.5
339.14624	0.6
369.15530	2.1
394.19925	1.7
411.22418	1.8
429.17636	16.7
429.23468	0.8
430.17795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.7
58.33768	1.5
59.01377	100.0
61.98837	2.9
69.46720	4.6
69.47121	2.7
69.83391	1.4
71.01387	13.0
73.02950	8.5
83.01376	7.0
83.05051	2.4
85.02960	3.9
87.00877	4.3
87.05650	2.0
89.02446	15.2
95.01388	1.6
96.00893	3.1
97.06599	4.3
98.02507	1.8
98.53613	2.0
101.02445	12.4
107.05035	7.1
110.72102	1.4
113.02449	13.5
115.08775	2.5
119.03512	5.7
120.05845	2.6
127.05168	2.1
128.03531	1.6
130.08781	7.7
135.04559	3.8
138.09216	1.7
157.93745	1.7
161.04536	3.7
161.09702	8.2
161.13364	3.4
163.11290	1.9
179.05647	1.8
182.85069	1.5
187.11258	10.9
189.09180	1.9
205.12312	4.8
207.10243	4.1
223.13388	87.4
224.09166	1.5
224.13728	5.4
229.12315	1.8
249.11305	6.2
252.05417	1.6
259.78070	1.4
267.12369	57.2
268.12616	3.2
309.13635	2.0
323.16119	5.4
340.70126	1.7
394.19824	3.5
411.22400	7.9
429.17593	6.3
429.23703	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.5
59.01379	94.0
71.01376	16.0
71.05017	1.9
73.02942	5.5
79.05524	1.7
80.27616	1.6
83.01381	3.8
83.05007	2.6
83.60304	1.5
85.02936	3.8
87.00874	6.8
87.05640	3.8
89.02443	12.2
89.75068	1.5
95.01395	1.9
97.06562	3.0
98.02464	2.8
100.77753	2.1
101.01874	1.7
101.02448	11.1
107.05025	12.3
113.02435	10.7
114.54998	1.5
119.03532	5.2
120.05804	2.5
125.06041	2.0
130.08740	7.4
135.04533	3.7
138.09251	2.8
160.85504	1.8
161.04568	3.6
161.09723	8.0
161.13371	5.0
161.53424	1.5
163.11342	2.8
164.11586	1.7
166.08759	1.7
166.34970	1.6
179.05658	3.2
182.36424	1.4
187.11285	12.2
189.09293	2.1
205.12357	9.1
206.12646	7.3
207.10252	7.2
223.11655	1.0
223.13382	77.9
224.13722	6.0
249.11304	7.1
267.12366	100.0
268.12708	7.3
309.13428	3.6
323.16153	7.8
369.15332	1.7
381.05600	1.8
387.20267	3.9
394.19547	1.8
411.22327	7.1
429.17825	9.2
430.18088	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	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50481	0.6
61.98845	0.6
63.01141	0.6
64.49457	0.6
69.59122	0.9
69.59472	2.3
88.45396	0.6
90.00877	0.7
99.92579	6.0
100.93358	58.3
101.93365	2.7
115.92072	100.0
116.92077	4.6
116.92867	8.6
132.92342	1.1
172.95444	8.6
255.23306	2.0
341.74677	0.7
355.15836	1.5
377.90826	0.7
381.17456	1.7
397.00839	0.8
429.19516	9.7
430.19308	0.8
453.43100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
69.21069	3.1
78.95922	1.1
83.06153	2.1
87.00871	5.0
93.76773	0.6
96.95986	0.7
114.05594	2.4
117.00414	0.9
128.03601	0.6
130.08733	3.7
131.08263	100.0
132.08594	2.4
150.05257	3.1
154.01096	1.7
156.07762	6.6
172.01030	3.7
172.97699	0.9
173.10434	54.5
174.10826	1.7
178.04819	1.5
185.00526	3.1
192.02551	1.0
194.07860	0.7
196.05766	38.1
197.05966	3.0
198.02472	0.6
201.02547	1.0
205.05815	0.7
208.30011	0.6
217.00351	1.1
220.06963	1.9
220.13609	0.6
221.05412	0.8
225.08548	1.1
227.05177	1.3
227.80527	0.6
231.08217	0.9
235.62955	0.7
238.06839	13.0
239.06863	0.8
244.07857	1.0
252.91440	0.6
252.94255	0.6
254.04477	0.9
255.09532	5.5
271.07339	1.4
272.09952	1.2
287.11182	0.6
288.07632	1.8
292.12558	1.0
293.10971	0.7
303.15457	1.5
310.13687	22.3
311.13870	2.2
318.10562	1.4
327.16309	3.9
328.16577	0.7
335.13177	7.6
336.13455	1.3
352.11862	0.4
352.15823	16.8
353.16101	2.3
369.18491	56.4
370.18695	7.7
394.47076	0.6
429.20624	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	429.2351
Annotation	Asp-Val-Val-Val
Peak:m/z	Relative Intensity
58.02980	1.0
59.01377	1.9
65.89532	0.8
66.03476	1.1
67.03014	0.7
69.53065	2.6
71.01375	1.6
73.04070	1.9
74.02468	23.8
82.02988	3.5
82.06624	3.3
84.04546	1.2
84.08168	0.8
87.05629	1.0
88.04032	2.7
94.02949	0.9
96.23878	0.6
97.04086	1.1
98.02482	0.9
98.21887	0.8
100.04010	1.2
101.07204	20.8
102.05618	0.9
109.04061	7.0
112.02755	2.9
112.04019	1.5
116.07148	1.0
125.03555	2.5
126.09245	4.2
127.05130	32.3
128.03546	6.9
129.10329	5.7
130.08742	7.9
136.11293	1.4
138.09286	0.8
139.08722	1.6
140.07173	3.9
141.06691	2.6
141.10362	0.9
143.11897	17.6
145.06189	35.9
146.06537	0.8
153.10335	1.7
166.08740	0.7
169.09828	4.2
179.11874	3.0
180.10248	5.3
187.10840	9.5
195.11249	0.9
195.15001	0.8
197.12939	2.7
197.16609	1.0
199.18199	1.0
200.14078	0.8
202.29752	0.7
208.13454	1.9
221.16530	2.0
222.12433	3.2
223.10812	3.0
225.16055	0.9
225.30553	0.7
232.12804	0.8
240.13475	1.1
241.11888	1.6
254.15125	2.2
256.20319	7.4
262.94888	0.7
265.15457	1.7
281.11365	1.3
281.19910	1.1
281.39490	0.9
292.20227	1.7
298.78241	0.7
299.20914	3.5
300.19250	2.5
329.62683	0.7
354.20398	1.7
367.23541	4.8
385.24619	1.1
394.19684	1.3
411.22470	37.0
412.22882	3.0
429.23459	100.0
430.23792	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	429.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72065	1.0
56.04316	0.9
57.03436	4.3
59.01379	100.0
61.98819	2.2
62.00741	1.1
69.53638	4.2
70.02964	3.5
71.01380	11.6
71.05046	1.5
73.02957	7.2
81.02196	3.8
82.02972	3.0
82.06609	3.1
83.01403	6.0
83.05021	2.8
85.02945	3.9
87.00903	5.1
87.05640	46.3
88.03999	1.2
89.02441	11.3
95.01363	1.2
96.00909	13.2
96.96054	1.0
96.96953	1.1
97.06586	2.5
98.02481	29.7
101.02444	9.4
107.05029	10.2
109.01697	8.1
113.02448	8.9
114.01990	1.6
119.03505	4.7
120.05795	2.3
121.04074	1.5
127.05125	3.5
128.03546	1.6
129.10381	1.2
130.08739	57.4
135.04515	5.0
138.09245	22.0
138.12035	0.9
139.08739	5.7
140.07204	4.8
143.11845	1.3
145.06155	1.2
159.11685	1.2
161.04617	1.8
161.09715	8.5
161.13371	4.2
163.11295	3.4
164.09483	1.5
166.08745	23.4
168.09018	1.1
168.10313	2.2
179.05623	2.1
185.13234	1.4
187.11278	13.4
188.11595	1.1
189.09190	3.4
199.18198	2.2
200.14055	2.7
203.10753	1.3
204.09050	1.4
205.12282	5.7
207.10251	8.1
209.09270	2.0
210.07794	5.4
210.09480	1.1
223.13382	65.5
224.13727	4.3
225.16118	9.7
229.12383	1.8
231.10191	1.5
233.16602	5.4
235.18117	7.2
236.11703	2.4
236.16367	1.3
243.17143	4.4
247.13203	1.2
249.11311	6.9
261.16098	10.9
262.16565	1.2
267.12363	69.1
268.12708	4.6
277.15387	1.3
279.17172	8.0
291.12424	1.1
298.13873	1.9
309.13437	4.4
323.16107	97.9
324.16486	7.5
369.15424	1.6
393.17377	1.7
394.19992	1.5
411.22488	78.2
412.22882	7.6
429.17398	6.3
429.23489	17.6
430.17584	1.4
430.23862	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	429.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68780	0.5
58.02952	0.8
59.01376	3.7
60.99297	1.4
61.98826	1.2
67.56249	0.6
69.39338	2.1
70.66257	0.6
71.01373	3.2
72.00922	2.9
73.04069	1.1
74.02472	45.4
75.02777	0.6
82.06618	3.1
84.08190	0.6
86.02468	4.8
87.05642	1.6
88.04041	3.9
89.02459	1.1
91.05502	0.6
94.49628	0.6
96.96052	0.7
97.06561	0.7
98.02468	0.9
101.07198	2.7
104.03539	31.1
105.03403	0.8
107.05023	1.9
108.68153	0.6
109.04076	1.5
112.02763	1.3
112.07697	0.9
112.80724	0.5
114.01974	0.8
115.00368	1.8
115.08772	58.8
116.07172	5.8
116.09129	1.0
119.05013	0.8
120.01225	1.5
121.42757	0.5
123.04456	0.6
125.03533	1.5
125.07151	1.4
126.09237	2.2
127.05138	6.4
127.08796	0.9
128.03539	3.1
128.10808	1.6
129.09540	0.7
129.10355	8.4
130.08737	12.3
131.08989	0.6
132.03014	1.2
134.03746	5.1
135.04558	4.7
138.05537	0.9
139.08737	2.1
139.47873	0.5
140.07187	4.0
141.10335	1.7
143.11900	22.3
145.06223	4.7
147.24031	0.6
148.01709	0.6
148.98631	0.5
149.06001	0.9
153.10326	3.0
155.08238	1.0
155.11905	28.5
156.12267	0.9
157.13519	0.8
161.02333	0.8
163.03979	5.9
164.14444	1.7
165.10326	1.8
166.08710	3.3
169.09842	3.3
171.11362	1.2
173.12953	2.5
178.02759	1.3
180.10254	1.4
181.04915	0.7
181.13416	2.6
182.12915	1.7
183.11377	0.9
183.15028	3.3
185.16599	2.3
186.12418	0.8
187.10866	5.5
193.05066	0.9
195.14987	1.2
197.16586	2.2
199.18137	1.4
200.14055	1.1
207.02992	8.9
207.15054	1.1
208.13399	7.3
211.07599	1.1
211.14516	10.1
217.12018	0.7
225.16127	1.7
228.17166	15.2
229.15474	1.4
242.18721	2.2
244.70253	0.7
256.20282	9.0
268.20190	3.9
280.23932	2.0
295.21347	3.2
298.14102	0.9
298.19928	0.9
298.25046	1.6
310.04630	0.6
312.15704	1.2
313.22305	1.8
314.20782	2.7
324.22842	0.9
342.23929	10.1
355.27112	8.6
356.27280	0.7
367.27145	16.7
368.27231	1.4
369.06052	0.6
372.80319	0.7
385.24072	1.3
385.28238	1.8
394.19623	1.6
399.26096	40.4
400.26367	4.1
411.21875	5.2
411.26816	1.4
429.08752	4.3
429.27640	100.0
430.28024	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63202	3.1
59.01379	100.0
61.98828	7.0
70.12890	6.8
75.72550	3.1
83.87495	3.1
85.15011	3.3
91.04023	5.3
92.92800	3.8
98.22638	3.8
138.28514	3.2
155.61850	3.3
210.63968	3.6
295.22684	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70613	0.9
59.01377	100.0
61.98826	1.6
65.22423	0.6
66.53137	0.6
69.80125	2.6
71.56984	0.7
73.24221	0.8
74.09408	0.7
78.33022	0.7
78.95913	2.9
91.04018	1.4
94.92496	0.9
100.51775	0.8
110.77856	0.7
122.40771	0.7
152.99561	4.6
195.13835	0.9
277.21799	1.4
295.22791	10.8
322.38834	0.7
365.79245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
60.99286	0.3
61.98821	1.8
66.96872	0.4
69.60551	1.2
70.02960	0.4
71.01386	0.4
72.00906	12.3
73.04048	0.4
74.02482	0.6
83.20158	0.3
87.05637	0.4
88.04053	3.3
88.98801	2.1
89.02431	0.5
91.05524	1.1
96.00915	0.9
96.95995	0.4
98.02464	0.6
98.21935	0.8
98.48330	0.4
103.05547	0.7
105.01939	0.5
107.26168	0.3
113.03580	0.7
114.01988	0.7
120.71803	0.3
120.98006	0.4
127.05177	0.7
128.03526	1.0
129.10315	0.7
130.08740	1.0
131.04646	0.6
132.76431	0.3
134.04767	0.9
147.04520	36.1
148.04845	1.2
158.23404	0.4
161.02437	0.4
164.07159	100.0
165.07530	2.5
200.14069	0.4
244.13060	0.4
291.88385	0.4
297.15363	0.4
304.76633	0.4
332.54547	0.4
341.08609	0.4
386.20212	0.9
395.14795	0.4
395.19376	1.3
430.23901	2.2
431.11142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33167	30.9
59.01366	100.0
62.45683	34.8
69.66010	52.2
69.66357	79.0
76.44679	34.1
89.02441	31.6
96.84206	29.0
120.08101	29.1
124.18646	29.1
139.59775	31.7
213.38123	35.4
224.64053	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45672	1.8
55.01861	1.9
56.37279	1.8
57.03440	3.2
57.84976	1.8
59.01381	35.6
61.98814	2.2
64.54967	1.8
65.12505	2.0
69.37312	10.4
70.42393	2.2
71.01382	30.9
73.02946	8.9
77.03947	2.4
77.61690	2.0
79.01879	2.2
82.57412	2.0
83.01373	3.7
83.93047	2.4
85.02961	7.2
87.00884	2.7
88.11739	1.9
89.02441	10.9
89.95173	2.0
99.00851	3.3
101.02444	29.3
110.85145	2.2
113.02422	15.9
117.03461	9.7
119.03496	5.9
135.04520	2.2
143.03452	2.4
157.50696	2.0
159.02997	3.1
159.04507	2.1
161.02402	5.7
161.04553	27.3
179.05650	2.6
205.12347	6.4
223.13367	2.7
224.13721	2.4
225.14938	15.7
239.07214	3.3
268.03708	2.3
268.12689	5.9
269.04565	6.2
281.04550	7.2
282.05273	6.0
283.06091	56.0
295.06158	7.1
311.05600	100.0
323.05478	9.6
341.06573	33.0
387.20206	67.6
388.20493	5.3
431.09802	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	430.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05062	1.6
52.61653	1.6
57.65330	1.8
59.01359	3.3
61.98828	100.0
70.67019	4.4
96.95997	1.9
98.21981	1.8
99.92567	2.1
115.38239	1.6
116.92883	1.8
118.89972	2.4
120.89751	1.8
125.77230	1.7
134.04340	2.1
268.03741	2.2
269.04608	2.8
281.04752	2.3
283.06180	3.2
311.05487	8.0
341.06705	3.6
394.14423	2.7
431.09830	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	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62578	1.3
59.01381	10.8
60.04606	1.5
61.98830	100.0
70.15411	1.6
70.15756	3.4
81.19135	1.3
96.96031	6.9
99.92574	4.5
116.92878	1.7
119.13734	1.4
120.89700	7.4
137.89952	1.7
154.19974	1.6
241.64719	1.3
268.04153	2.1
283.06021	2.3
311.05548	6.1
335.89651	1.3
341.06744	1.5
401.23727	1.4
430.10065	1.9
431.09833	4.1
431.33978	1.8
440.87439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
60.99305	14.4
69.55064	2.7
72.99294	0.8
74.02461	1.3
88.04044	0.8
88.34898	0.6
88.98804	100.0
89.99139	1.1
97.00300	0.7
98.21873	1.3
110.63499	0.7
127.05158	0.9
128.03545	1.0
133.02957	2.6
135.04527	1.7
161.01099	1.0
161.02452	20.1
170.23277	0.6
179.03444	4.0
187.82945	0.7
250.92067	0.7
305.46075	0.7
341.08777	12.1
342.08987	1.2
413.20636	0.8
431.21317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.2
69.30894	8.2
69.31280	6.9
98.21893	5.9
117.03468	9.4
157.15549	3.1
161.02438	4.6
268.03732	5.2
269.04416	13.0
281.04535	10.2
282.05408	6.0
283.06128	59.8
284.06479	5.1
295.06235	5.5
311.05618	100.0
312.05838	9.0
323.05444	10.6
341.06693	48.5
342.06903	4.8
431.09821	78.5
432.09833	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	431.0982
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
59.01372	3.2
63.36426	1.3
69.89201	3.2
69.89555	2.3
107.01360	2.0
119.27102	1.6
124.20245	1.4
127.49654	1.5
151.00366	3.8
190.97772	1.7
211.03914	1.6
239.03448	2.3
240.04271	2.3
268.03763	100.0
269.04449	30.4
283.05872	1.7
311.05563	2.0
312.28052	1.4
362.04257	1.5
394.25848	1.5
408.88327	1.4
431.09811	80.5
432.10184	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	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17297	0.5
52.58452	0.6
55.76926	0.5
58.73822	0.6
58.74132	0.6
65.00294	0.7
65.15944	0.5
68.86679	0.6
69.13836	3.7
77.03957	3.3
79.01888	1.5
93.03453	2.8
98.21899	1.5
105.03459	1.4
106.76514	0.6
107.72411	0.6
117.03474	13.9
119.05035	1.4
121.02939	3.5
133.02913	0.7
135.04472	3.5
147.04485	1.0
149.02419	3.1
159.04494	3.4
161.02437	6.1
163.00346	1.2
163.03993	5.7
165.01921	0.8
173.02449	0.9
175.04008	0.6
179.03459	1.7
191.03511	2.4
196.05270	0.6
197.06119	1.3
203.03526	2.1
211.07605	0.6
215.07152	0.7
219.03014	0.7
224.04822	0.9
225.05576	0.7
237.05498	0.8
237.67908	0.6
239.07159	2.2
253.05005	0.7
254.05855	0.7
268.03955	3.4
269.04510	4.6
281.04587	5.1
282.05273	3.4
283.06110	62.6
284.06464	3.9
284.09119	0.6
293.04550	3.9
295.06125	2.5
311.05600	100.0
312.05991	5.5
323.05609	6.3
325.07288	0.6
341.06650	15.5
342.07010	0.8
353.06766	1.2
431.09818	71.8
432.10123	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	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57512	0.4
57.50264	0.5
59.01382	0.5
60.99304	13.0
67.56355	0.5
68.85750	0.4
71.09306	0.4
75.46917	0.5
88.98805	100.0
89.02444	1.3
89.99126	0.9
143.15050	0.5
173.35872	0.5
341.10602	0.5
352.49576	0.5
421.66605	0.5
438.58420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.6
60.99307	13.5
71.01376	2.6
74.12552	1.5
87.00896	3.0
88.98809	100.0
89.02445	23.0
96.66736	1.2
100.87899	1.3
105.52375	1.3
107.49555	1.4
111.42516	1.2
113.02423	1.9
113.27602	1.2
119.03522	2.1
128.93105	1.3
208.90532	1.2
341.10907	5.4
342.11154	3.7
438.69397	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	431.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51186	0.4
59.01377	8.6
59.41023	0.4
61.98824	4.0
69.53648	1.2
71.01382	1.9
72.99313	4.0
73.04063	3.4
74.02470	4.4
75.00867	5.5
82.02998	0.5
84.56254	0.4
85.02950	0.6
87.05624	1.0
88.04042	0.8
88.98801	1.0
89.02436	1.3
96.00900	1.0
98.02470	0.8
101.02461	0.9
103.05137	0.6
104.03542	1.1
105.01931	100.0
106.02256	1.5
113.02398	0.5
114.05621	0.5
115.00414	0.6
116.07162	1.5
117.03431	1.0
119.04970	0.6
126.06623	0.5
128.03523	2.7
129.06732	0.7
129.10342	1.4
130.08727	1.9
131.04634	0.6
135.04482	0.7
138.01933	1.4
141.08430	0.4
141.10384	0.5
143.11891	2.5
145.02943	4.3
151.08809	0.5
155.08232	0.5
155.11848	0.7
163.03996	0.6
169.09840	1.0
179.05621	0.4
183.11411	0.5
186.12480	0.8
187.10872	0.9
200.14098	0.8
205.05125	0.5
206.13420	0.5
213.08748	0.4
256.20306	2.0
270.20697	0.5
283.06229	0.5
309.14600	0.6
311.05652	0.9
325.09256	1.3
325.22534	0.9
357.17514	0.6
357.21527	2.7
366.16541	0.7
387.18515	0.7
387.22571	3.9
396.17776	0.5
413.20187	1.2
417.17795	0.6
430.24127	0.5
431.09967	0.7
431.20282	1.4
431.25790	5.8
432.18509	1.4
432.25171	0.5
445.18234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26173	0.5
59.01380	8.3
59.21225	0.5
60.99306	9.8
69.06644	1.2
69.07041	3.3
71.01385	5.8
73.02946	1.7
87.00869	1.4
88.98804	73.5
89.02442	100.0
89.99134	0.7
90.02782	2.0
101.02413	2.5
108.86422	0.5
113.02451	2.3
117.01930	3.3
119.03497	2.5
131.08226	0.9
131.82501	0.5
133.01401	0.6
161.04579	0.8
173.10452	0.6
179.05588	4.0
198.88622	0.6
262.81625	0.5
338.34518	0.6
341.10873	19.4
342.11237	2.8
390.54926	0.5
431.13724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
55.01868	4.0
55.09750	1.2
57.03437	3.9
59.01378	100.0
61.98832	9.0
63.21201	0.9
66.15324	1.0
69.03445	1.2
69.55718	4.9
71.01380	80.3
72.99282	1.7
73.02946	26.2
74.02468	3.5
75.00849	1.7
81.03418	1.3
83.01395	11.2
85.02949	33.5
87.00883	5.9
87.05656	1.7
88.04040	2.2
88.98811	1.3
89.02443	20.9
95.01392	4.8
96.00903	2.0
97.02935	2.7
99.00891	8.0
101.02439	66.4
101.07201	1.7
102.02763	1.2
105.01917	6.9
111.00829	1.5
113.02449	31.2
113.03308	1.7
113.03600	1.9
115.00358	1.0
115.08748	1.9
119.03504	9.5
125.02434	4.3
127.05154	2.2
128.03520	3.7
130.08723	1.4
131.03516	1.8
143.03510	6.4
143.11885	1.4
145.02905	1.5
149.04517	1.6
155.08292	1.9
159.02972	6.9
161.04561	32.4
179.03468	1.9
179.05571	1.8
179.92534	1.2
183.11310	1.3
209.08215	2.2
214.15717	2.2
267.18167	1.7
269.10291	35.4
270.10696	1.6
311.05536	1.4
357.17697	1.2
371.13458	38.4
372.13614	4.2
387.18564	2.2
431.15491	30.5
431.21063	4.6
432.15775	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	431.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98828	1.6
68.87987	1.4
70.49995	2.4
72.00903	11.1
88.98802	14.8
89.02436	3.4
110.16451	1.3
116.96501	1.5
127.67052	1.2
134.04727	3.1
137.02393	1.4
147.04507	35.6
164.07155	100.0
165.07477	4.8
167.08192	1.4
265.95480	1.4
283.05865	1.2
353.10931	1.5
403.72549	1.3
425.68460	1.3
431.10925	4.1
448.56125	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33082	2.0
59.01379	46.8
59.73070	1.6
71.01388	16.3
71.41869	2.7
73.82703	1.9
85.02952	3.8
89.02439	22.3
99.04530	15.4
101.02447	11.0
113.02441	7.6
119.03489	6.1
120.04101	1.7
179.05557	2.5
189.12831	3.6
207.13879	15.3
208.14221	2.6
251.12889	100.0
252.13202	7.6
338.04465	2.1
431.10046	2.8
431.19107	31.4
432.19037	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96393	7.9
59.01376	68.9
61.07644	7.5
71.01382	27.6
71.41849	8.9
89.02445	31.7
93.61231	7.6
99.04521	23.4
101.02419	12.2
113.02436	9.4
119.03511	9.6
189.13017	10.8
207.13879	22.7
251.12885	100.0
295.83368	8.8
317.92377	8.9
431.19077	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01375	1.0
61.98826	1.1
66.89650	0.6
69.18319	0.6
70.13629	1.2
78.95901	54.9
79.63313	0.6
84.79131	0.5
96.95995	2.4
96.96951	6.2
134.44710	0.6
137.75511	0.6
150.98030	1.8
152.99588	100.0
153.99919	1.1
171.00603	3.9
277.21713	0.7
371.14786	0.8
372.30856	0.6
431.22058	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	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.0
63.69671	0.5
73.79060	0.5
75.99729	0.6
78.95900	71.1
94.68279	0.5
96.95985	0.8
96.96960	5.5
98.22695	1.0
116.03249	0.5
118.89970	1.3
137.02521	0.7
150.98024	2.0
152.99582	100.0
153.99925	1.2
167.43047	0.5
171.00682	2.9
244.50670	0.5
431.08823	1.0
431.22043	12.2
432.22073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59619	0.2
51.20432	0.2
51.53229	0.2
53.81720	0.2
55.05074	0.2
56.08929	0.2
66.99630	0.2
69.35694	0.7
72.03049	0.2
72.12510	0.2
78.95900	54.3
96.96953	5.3
109.00391	0.3
133.19919	0.2
150.98030	1.7
152.99580	100.0
153.99947	1.4
171.00644	3.8
277.21704	0.7
281.04218	0.2
431.21982	8.5
432.22241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.09011	0.3
69.17675	2.1
78.95902	66.8
79.83421	0.4
96.96965	5.3
103.16058	0.3
131.14034	0.4
150.98010	1.3
152.99586	100.0
153.99947	1.6
171.00642	4.0
184.76723	0.3
193.75211	0.4
277.21628	1.0
356.16187	0.4
403.31119	0.4
431.22009	12.9
432.22415	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	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01379	37.0
60.25299	0.5
65.00344	0.6
69.13245	1.1
69.13647	2.9
71.01392	2.9
75.06219	0.6
77.03976	2.8
78.65818	0.5
79.01460	0.5
79.01873	2.5
85.02946	0.6
87.00853	0.6
89.02424	2.1
93.03461	3.4
93.27664	0.5
98.21941	1.1
101.02426	1.2
105.03429	1.6
108.65138	0.5
113.02435	1.1
117.03468	16.1
118.03867	0.6
119.03546	0.6
119.05039	2.2
121.02942	3.8
133.02934	0.6
135.04506	3.7
137.02428	0.7
140.70058	0.5
145.02940	0.5
147.04518	1.1
149.02419	2.2
159.04512	2.5
161.02444	6.9
161.04538	0.5
163.00383	1.5
163.04016	5.2
165.01961	1.3
169.06564	0.5
175.00371	0.6
179.03505	1.1
179.05740	0.8
182.03630	0.8
183.04436	1.1
183.08083	0.9
191.03500	2.3
193.01474	0.5
195.08147	0.8
196.05357	0.9
197.06039	1.2
203.03339	1.3
207.69449	0.5
209.06099	0.7
211.07692	1.0
215.07076	0.9
218.84203	0.5
223.13353	0.7
224.04747	1.0
225.05469	0.9
239.07202	2.5
253.05014	1.2
254.05823	0.7
268.03748	3.7
269.04520	5.8
269.13779	1.5
281.04544	9.3
282.05307	7.6
283.06119	64.9
284.06421	4.7
293.04483	2.5
295.06039	5.2
308.03339	0.6
309.04071	1.2
311.05606	100.0
312.05948	8.1
314.04272	1.1
323.05606	9.4
324.06052	0.7
341.06656	22.9
342.06921	1.8
343.21249	1.0
353.06665	1.4
413.08725	1.1
431.09830	70.2
431.22644	1.9
432.10104	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69094	0.5
57.03437	0.5
59.01377	100.0
60.01717	1.8
61.98861	0.5
69.34106	0.9
69.34499	1.3
71.01387	6.5
71.14821	0.5
72.99362	0.5
73.02978	0.5
77.03985	1.6
79.01893	1.1
83.01397	0.7
85.02950	1.3
87.00863	1.0
89.02444	7.4
93.03463	1.4
98.22580	1.1
101.02440	3.3
105.03468	0.6
107.01399	0.8
107.05022	1.0
113.02469	2.3
117.03458	9.2
119.03527	2.1
119.05054	1.0
121.02962	1.6
133.03070	0.6
135.04529	1.9
147.77837	0.5
148.01669	0.5
149.02461	1.3
159.04515	1.8
161.02440	4.0
161.04498	0.5
161.13335	0.6
163.00320	0.7
163.04007	2.8
165.01927	1.0
175.04060	0.6
179.03548	0.6
179.05591	1.4
182.03722	0.5
183.04477	1.0
187.11308	1.0
189.11964	0.6
191.03467	1.6
197.06079	1.0
203.03506	0.7
209.06210	0.6
213.10527	0.5
215.07297	0.8
223.13354	3.5
224.13765	2.0
225.14003	3.5
237.05737	0.7
239.07124	1.8
241.04651	0.5
253.05081	0.8
267.12375	3.5
268.03729	2.0
268.12653	2.6
269.04501	6.1
269.12854	4.8
270.05084	0.7
272.98193	0.6
281.04510	7.0
282.05252	5.6
283.06107	41.0
284.06372	2.6
293.04523	1.1
295.06180	2.8
311.05600	64.6
312.05994	4.6
314.04184	0.8
323.05557	6.2
324.05927	0.5
325.07169	0.6
341.06610	20.1
342.06903	1.7
353.06546	1.2
413.08746	1.5
418.88571	0.5
431.09814	47.8
431.22638	1.9
432.10077	3.9
442.01593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03453	1.2
59.01379	100.0
60.01708	0.7
61.60475	0.5
61.98816	1.4
67.20692	0.5
69.33777	2.8
71.01382	9.4
72.64398	0.5
73.02945	3.2
79.00672	0.4
80.39322	0.5
80.53285	0.5
83.01400	2.2
85.02950	4.7
89.02425	2.6
95.01406	0.8
98.21871	1.1
99.00906	1.1
101.02435	8.9
113.02441	5.1
117.03471	0.8
119.03551	0.6
159.03036	1.2
161.04553	9.5
162.04985	0.6
209.15491	1.3
239.03589	0.7
240.04327	0.6
268.03748	15.5
269.04419	5.7
281.04507	0.8
283.06134	3.6
311.05609	4.5
341.06750	2.4
371.20734	24.2
372.21222	2.4
431.09845	16.1
431.23114	1.4
432.10312	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	432.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44568	1.4
59.01376	2.5
69.60458	5.0
70.16490	1.3
119.94517	1.2
125.02422	1.7
141.94991	1.4
143.04979	2.0
159.08093	1.3
175.71396	1.5
185.06056	3.8
221.84306	2.9
225.05540	10.0
227.07138	100.0
228.07475	5.7
397.24353	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	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.9
60.01698	0.7
61.98830	100.0
69.82938	1.0
69.83296	1.0
71.01385	5.1
72.00963	0.5
72.99293	0.6
73.02946	1.3
75.00901	0.6
85.02975	1.3
87.00875	0.7
89.02445	4.5
101.02435	3.5
105.01931	1.7
113.02450	2.2
113.75288	0.5
116.07115	0.6
117.03469	1.5
117.27610	0.6
118.03811	0.9
119.03521	1.7
130.08749	3.6
131.04617	0.6
138.03918	0.7
161.02411	0.7
161.04556	0.9
162.02924	0.9
163.04024	1.4
164.01860	0.7
164.07120	0.7
165.01938	0.8
179.05701	1.1
183.03352	0.5
268.03775	1.1
269.04199	3.4
270.04813	1.9
270.14371	0.7
281.09064	0.6
282.04916	2.2
283.05945	3.5
284.06464	9.6
296.06229	1.0
311.05646	3.4
312.05948	17.6
313.06219	1.2
324.05884	1.6
338.17340	0.7
341.06680	1.3
342.06992	6.3
345.22900	2.7
357.10806	0.8
360.39990	0.5
389.13644	3.9
397.15808	1.4
414.18576	0.6
432.10159	18.1
432.23392	2.4
433.11932	1.8
433.25134	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04325	1.3
56.49997	1.2
59.01376	2.7
61.98829	100.0
69.19497	8.5
75.46394	1.3
78.95896	3.7
84.23013	1.2
109.66721	1.4
152.99583	4.5
163.11345	1.3
167.48410	1.2
284.06506	1.7
312.05994	2.4
336.07013	1.4
338.22034	2.5
432.09561	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03427	2.2
58.00583	1.2
59.01379	27.7
61.98833	6.8
65.00327	5.2
69.03446	1.5
71.01013	1.1
71.01375	13.8
73.02937	5.2
75.00852	2.3
81.03443	3.6
83.01369	5.9
85.02458	1.6
85.02948	27.2
85.66748	0.8
87.00845	1.7
88.98776	1.4
89.02438	8.3
93.03455	5.9
95.01368	2.3
96.96022	1.0
97.02957	4.8
99.00876	1.9
99.04498	1.4
99.48639	0.8
101.02435	12.6
105.03452	1.6
107.01369	5.2
108.02155	2.8
109.02902	1.8
111.00891	1.3
112.84794	0.9
113.02431	5.7
119.03500	3.5
119.05025	37.0
120.05351	1.5
121.02935	6.5
123.00861	2.2
123.04519	1.2
125.02440	15.2
126.03225	1.9
130.08740	1.1
133.02925	1.6
135.04568	0.9
136.01653	1.1
137.02423	2.8
143.03464	1.2
143.04964	2.7
145.02925	3.4
149.02477	5.2
151.00362	20.1
152.00671	1.0
155.03448	0.9
161.04596	1.9
161.06009	2.0
163.00378	6.4
163.03990	1.1
164.01135	1.1
165.01945	8.1
167.03419	3.5
169.01314	0.9
170.47580	1.0
172.75237	0.7
177.01860	2.3
179.03462	1.6
179.05594	1.1
181.04958	0.8
185.06042	2.9
187.03972	3.3
191.00026	0.9
191.03471	1.1
193.01408	25.2
194.52963	1.1
207.02989	1.6
219.02945	1.9
223.02461	3.2
227.07101	2.0
241.08669	1.4
253.14348	2.1
271.06125	25.2
272.06384	2.3
281.09335	1.2
283.06052	2.4
284.06314	1.2
285.12228	1.0
289.16431	1.0
295.06107	1.1
313.07166	100.0
314.07440	7.7
325.07138	2.0
329.10522	0.9
343.08203	24.8
343.12430	1.4
344.08475	2.3
347.17157	5.1
371.20685	1.0
373.09097	1.2
387.20065	1.0
389.21625	1.3
401.10095	1.3
415.10297	1.9
415.19708	1.9
433.11533	31.4
433.20654	66.7
434.11676	3.9
434.20804	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94706	0.4
55.01886	0.5
59.01381	9.7
61.98834	1.9
64.63070	0.4
65.00321	3.9
68.24766	0.4
68.99845	0.4
69.03456	0.9
69.87445	0.7
69.87782	0.7
70.69723	0.4
71.01392	4.1
73.02982	1.1
74.02499	0.8
78.31918	0.4
79.01919	0.7
81.03448	3.3
81.46935	0.4
83.01393	3.6
85.02972	1.1
87.36885	0.4
88.98822	0.7
89.02445	4.3
92.42646	0.4
93.03452	4.8
95.01414	1.6
97.02954	4.6
99.04562	0.6
101.02429	3.3
105.03479	1.7
107.01400	4.1
109.02988	1.3
113.02461	2.7
113.03624	0.4
117.03507	1.0
119.03579	1.7
119.05026	35.1
120.05389	1.4
121.02963	5.2
123.00896	1.8
123.04533	1.0
125.02447	13.0
130.08746	0.5
133.03023	0.5
135.04562	0.5
136.01636	0.5
137.02437	3.6
143.05048	3.7
145.02974	3.7
149.02460	5.0
151.00375	11.9
151.01549	0.8
153.01927	0.8
155.03522	1.0
161.04634	0.5
161.06078	1.4
163.00363	5.7
163.04016	1.3
164.01178	1.5
165.01935	9.9
167.03508	3.5
167.10777	0.8
177.01947	2.0
179.03529	1.9
179.05626	1.4
185.06104	1.6
187.03967	3.7
190.99889	1.0
191.03535	1.4
193.01418	23.9
194.01790	1.4
199.07634	0.9
203.07156	0.4
205.01434	1.7
207.03023	2.0
219.03046	1.8
223.02499	3.8
227.07201	2.4
229.05101	0.8
231.03091	0.4
239.07176	0.5
241.08759	1.2
249.04271	0.5
269.08163	1.3
271.06134	9.4
271.11700	0.6
272.06580	0.6
281.09161	0.7
283.06122	1.9
285.07852	0.4
313.07175	100.0
314.07486	7.1
325.07224	2.2
343.08218	27.2
344.08514	1.9
355.08148	1.4
373.09366	0.4
387.20206	4.6
388.20615	0.5
397.09073	0.9
415.10419	2.3
433.11343	23.2
433.19928	4.0
433.25385	1.1
434.11725	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	433.1143
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01373	1.0
61.98837	1.7
63.02391	1.9
65.00323	4.6
66.10718	0.3
68.05234	0.2
69.27562	1.2
71.01385	0.2
83.01390	3.0
88.56799	0.2
89.02429	0.4
89.36531	0.3
92.21848	0.2
93.03457	6.5
94.03809	0.3
107.01390	9.1
108.02254	0.3
119.05026	29.4
120.05356	1.0
121.02926	0.4
125.02454	1.0
136.01622	0.4
137.02481	0.3
145.03000	0.6
149.02361	0.3
151.00372	36.5
152.00674	1.0
161.06055	0.3
164.01160	1.1
165.01945	1.7
169.01393	0.5
175.00406	1.2
177.01945	5.2
185.06096	0.6
187.04019	0.6
193.01407	0.7
193.73888	0.3
227.07213	0.6
229.05069	0.5
268.03714	2.0
269.04123	2.1
270.04398	4.1
271.06113	100.0
272.06464	7.2
289.43729	0.3
295.06006	1.0
313.07077	1.7
433.10526	6.4
433.24374	0.7
434.10962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03427	2.2
58.00583	1.2
59.01379	27.7
61.98833	6.8
65.00327	5.2
69.03446	1.5
71.01013	1.1
71.01375	13.8
73.02937	5.2
75.00852	2.3
81.03443	3.6
83.01369	5.9
85.02458	1.6
85.02948	27.2
85.66748	0.8
87.00845	1.7
88.98776	1.4
89.02438	8.3
93.03455	5.9
95.01368	2.3
96.96022	1.0
97.02957	4.8
99.00876	1.9
99.04498	1.4
99.48639	0.8
101.02435	12.6
105.03452	1.6
107.01369	5.2
108.02155	2.8
109.02902	1.8
111.00891	1.3
112.84794	0.9
113.02431	5.7
119.03500	3.5
119.05025	37.0
120.05351	1.5
121.02935	6.5
123.00861	2.2
123.04519	1.2
125.02440	15.2
126.03225	1.9
130.08740	1.1
133.02925	1.6
135.04568	0.9
136.01653	1.1
137.02423	2.8
143.03464	1.2
143.04964	2.7
145.02925	3.4
149.02477	5.2
151.00362	20.1
152.00671	1.0
155.03448	0.9
161.04596	1.9
161.06009	2.0
163.00378	6.4
163.03990	1.1
164.01135	1.1
165.01945	8.1
167.03419	3.5
169.01314	0.9
170.47580	1.0
172.75237	0.7
177.01860	2.3
179.03462	1.6
179.05594	1.1
181.04958	0.8
185.06042	2.9
187.03972	3.3
191.00026	0.9
191.03471	1.1
193.01408	25.2
194.52963	1.1
207.02989	1.6
219.02945	1.9
223.02461	3.2
227.07101	2.0
241.08669	1.4
253.14348	2.1
271.06125	25.2
272.06384	2.3
281.09335	1.2
283.06052	2.4
284.06314	1.2
285.12228	1.0
289.16431	1.0
295.06107	1.1
313.07166	100.0
314.07440	7.7
325.07138	2.0
329.10522	0.9
343.08203	24.8
343.12430	1.4
344.08475	2.3
347.17157	5.1
371.20685	1.0
373.09097	1.2
387.20065	1.0
389.21625	1.3
401.10095	1.3
415.10297	1.9
415.19708	1.9
433.11533	31.4
433.20654	66.7
434.11676	3.9
434.20804	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03437	2.9
59.01378	95.6
61.98822	4.8
68.99559	1.7
69.13828	6.3
71.01379	64.8
72.99312	2.4
73.02946	22.9
75.00886	1.1
83.01395	3.3
85.02953	10.0
87.00874	2.3
89.02444	100.0
95.01408	2.2
97.02940	1.7
98.22620	1.8
99.00878	26.8
99.04491	1.4
101.02444	44.5
111.08142	0.8
112.98577	2.5
113.02453	16.7
119.03515	13.9
125.02477	4.6
131.03491	16.1
143.03537	2.2
149.04558	51.7
150.04861	1.0
155.10861	1.2
161.04544	6.4
179.05571	5.8
191.05583	12.2
195.85838	0.9
221.06613	1.5
227.16521	6.6
233.06659	1.5
251.07660	2.3
270.04495	0.9
271.18649	1.0
281.76212	1.0
287.69379	0.8
293.08871	1.2
301.16519	7.6
417.60443	1.0
433.19629	16.3
433.25925	5.5
434.20584	1.5
454.90753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.2
55.02051	0.8
57.03344	1.0
57.03600	0.5
58.00467	1.4
59.01247	12.0
59.01586	5.5
59.01781	0.7
61.98697	3.0
61.99042	1.3
63.01825	0.5
63.02333	0.5
65.00191	3.3
65.00560	1.0
66.43572	0.4
69.03362	1.1
70.56450	0.4
71.01240	10.7
71.01685	2.9
71.44796	0.5
72.99217	0.7
73.02802	4.1
73.03250	1.2
75.00729	6.6
75.01208	1.7
79.01781	0.9
81.03308	3.6
81.03820	0.7
83.01241	5.7
83.01780	0.9
85.02798	29.2
85.03372	5.0
85.03670	1.1
87.00734	1.3
88.98698	1.1
89.02293	3.6
93.03307	5.8
93.03944	0.9
95.01226	2.5
95.04909	0.7
97.02788	5.2
99.00726	1.6
99.04346	1.7
101.02278	11.4
101.02997	1.3
105.01659	0.4
105.03332	0.7
107.01226	4.8
109.02795	2.2
111.00777	1.0
111.04388	0.6
113.02278	4.8
119.03304	1.4
119.04853	37.9
120.05254	1.1
121.02783	6.4
123.00707	2.3
123.01563	0.9
123.04375	1.2
125.02271	13.8
125.03289	1.3
126.03042	3.0
130.08586	1.3
133.02791	1.0
135.00787	0.4
135.04338	0.7
136.01521	1.1
136.11497	0.4
137.02266	4.1
139.03876	0.6
143.03333	0.5
143.05006	3.1
144.79495	0.6
145.02959	3.0
147.04489	0.6
149.02457	4.6
151.00368	12.8
151.03918	1.1
152.00597	0.5
155.03342	1.6
158.16118	0.5
161.02286	0.9
161.04501	1.1
161.05914	1.6
163.00375	6.0
163.03856	2.0
164.00957	1.7
165.01936	11.8
167.03519	3.5
175.47978	0.5
177.01978	3.0
179.03337	1.7
179.05565	0.5
185.06073	2.9
185.11723	0.7
187.04010	3.4
190.99738	0.7
191.03363	1.7
193.01416	26.6
194.01720	1.0
197.06099	0.5
199.07509	1.6
205.01353	1.5
207.03040	2.3
211.02370	0.7
219.03012	2.6
223.02486	4.2
224.02660	0.6
225.05490	0.5
225.14935	1.1
226.06009	0.7
227.06996	1.7
229.05127	0.6
237.09084	0.5
241.08501	0.9
241.13205	0.7
243.06320	0.8
245.08125	0.9
257.45319	0.5
269.08102	1.8
271.06104	11.6
272.06403	0.5
281.09039	0.5
283.06131	3.0
285.07672	0.9
285.91449	0.5
297.07767	0.6
313.07178	100.0
314.07510	7.1
325.07150	2.0
328.78488	0.5
329.10391	1.0
342.30795	0.7
343.08237	25.0
344.08594	1.8
347.17166	5.3
355.08533	1.0
371.20975	2.2
373.09366	0.6
387.20248	9.0
389.22101	1.3
401.09879	0.6
403.19693	0.6
415.10641	1.8
415.19528	2.3
433.11639	25.0
433.20715	69.7
434.12015	2.1
434.21017	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	433.2357
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.72742	0.3
64.36177	0.3
69.73351	0.9
78.95902	54.2
96.96961	7.1
98.21916	0.5
108.50461	0.2
114.74614	0.3
117.60820	0.2
128.09262	0.2
130.04150	0.3
150.98006	1.7
152.99585	100.0
153.99930	1.3
171.00636	4.2
226.06360	0.3
279.23291	0.9
337.52509	0.2
433.23557	10.2
434.24002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21089	1.0
78.95899	62.7
88.00671	0.3
96.96957	5.2
139.16948	0.3
150.98013	1.6
152.99582	100.0
153.99924	0.7
171.00658	2.7
219.77031	0.3
239.83582	0.3
279.23257	1.8
350.75443	0.3
433.23566	16.4
434.23947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28666	0.3
57.02345	0.2
70.21630	0.5
78.95902	59.7
94.58704	0.2
95.89586	0.2
96.96958	6.4
120.58677	0.2
135.90329	0.3
140.54778	0.3
150.97998	1.9
151.65285	0.2
152.99585	100.0
153.99931	1.1
164.41624	0.3
171.00650	3.5
195.84447	0.3
279.23422	1.3
374.19510	0.2
433.23627	8.7
434.24005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94852	0.3
67.22527	0.3
70.95433	0.3
78.95899	70.6
96.96958	5.4
98.43595	0.3
111.18114	0.3
116.38264	0.3
150.97986	1.9
152.99582	100.0
153.99896	1.1
171.00627	2.9
173.52155	0.3
222.47208	0.3
279.23190	1.5
428.83484	0.3
433.23557	15.9
434.24063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03440	0.6
58.38507	0.3
59.01381	100.0
60.01724	0.8
61.23973	0.4
61.98825	3.9
69.65829	0.8
71.01381	6.2
72.99323	0.6
73.02947	1.4
75.00891	0.6
83.01382	0.5
83.05078	0.4
85.02959	1.9
85.03417	0.5
87.00922	0.7
89.02452	5.8
95.01428	0.6
99.00887	0.5
101.02459	4.4
103.34885	0.4
105.66548	0.4
113.02458	2.4
119.03512	2.6
125.09706	0.4
130.08804	0.4
131.03555	0.6
143.03534	0.6
157.79659	0.4
161.04645	1.2
164.07144	0.4
167.03531	0.4
179.03580	0.5
179.05630	1.3
183.10297	1.2
202.48909	0.4
227.07156	0.7
235.13316	0.5
237.09106	0.5
253.14598	0.7
271.06271	0.9
271.15710	0.6
271.19394	0.5
311.05750	0.7
312.06119	1.0
313.06332	2.0
343.07443	0.8
345.23050	0.8
389.13538	1.2
433.11282	2.2
433.20163	11.3
434.21298	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	434.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01380	3.4
61.98828	100.0
65.00319	0.8
71.01385	1.6
71.46822	0.4
73.02941	0.8
75.00884	1.3
89.02413	0.9
93.03459	0.7
96.96029	0.8
101.02466	1.0
107.01423	0.7
109.02946	11.3
113.02377	0.6
116.71046	0.6
117.03476	0.7
119.03554	0.6
119.05040	2.6
120.05335	0.8
121.02919	0.6
145.02942	16.1
146.03749	16.4
147.04448	1.9
151.00369	3.2
152.00714	1.5
157.02966	0.9
158.03711	2.0
159.04526	2.4
161.02455	1.1
162.26700	0.4
163.04005	1.8
173.02438	8.6
174.03163	0.8
175.03929	0.9
177.05544	1.8
187.04024	1.8
188.04736	1.0
189.01912	1.0
190.02718	10.4
191.03436	0.5
199.13338	0.7
202.02809	0.6
203.03531	0.8
204.04210	2.5
205.05043	72.0
205.45877	0.4
206.05376	3.1
217.05049	8.3
218.05467	0.5
229.01369	3.9
238.06180	0.5
239.07158	0.7
249.05542	1.3
261.04016	3.3
262.25403	0.5
267.06665	4.5
268.07132	0.5
271.06131	3.1
272.06458	6.2
277.04941	2.0
278.05344	0.5
293.04749	0.6
295.06128	7.0
327.08719	20.8
327.59778	0.7
328.09146	1.7
339.05145	3.8
371.07690	40.6
372.08023	3.4
433.27670	1.3
434.11331	0.6
434.28610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80904	0.2
58.59419	0.1
59.01379	1.4
61.98829	100.0
62.98517	0.2
69.35783	0.9
71.01405	0.2
98.22583	0.4
101.02451	0.2
130.08746	0.3
144.63309	0.2
176.24031	0.2
225.15396	0.2
272.06577	0.6
320.06992	0.2
377.91849	0.2
434.11548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45599	8.1
59.01372	8.7
69.36304	38.6
78.95906	13.8
83.05025	11.9
84.88924	8.8
98.21923	17.7
104.25107	8.7
118.39091	7.4
125.87301	38.5
126.88148	8.6
127.87010	39.0
141.86838	10.4
159.86044	9.1
160.84232	27.0
162.83878	53.5
166.77744	7.5
168.89218	8.7
169.34302	7.5
186.24384	8.7
255.44490	8.8
314.32605	8.0
391.29669	52.7
397.12546	45.1
398.12601	46.8
399.12152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66469	13.9
61.98829	20.7
70.22892	25.5
70.23209	18.2
76.59151	15.1
81.11212	13.5
125.87244	23.9
127.87067	82.8
140.35072	16.7
152.99608	19.5
159.85939	28.3
182.91606	15.5
220.44637	15.0
329.65134	16.6
358.62854	19.0
391.29587	100.0
392.30319	16.4
403.49301	15.7
406.78857	18.1
440.11664	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	435.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39643	4.5
59.01118	5.4
59.01375	35.3
61.98831	15.7
66.52420	5.0
69.90675	5.2
70.06077	6.7
70.06432	16.6
71.01372	7.8
89.02449	11.9
101.02435	5.4
113.02431	7.9
122.89345	5.9
125.87302	35.2
126.88052	7.8
141.86824	19.7
142.87592	22.8
148.91006	38.3
157.86346	8.7
159.87914	6.1
175.11298	7.2
179.05649	5.7
184.88623	5.6
201.09315	6.2
205.38033	5.6
209.43427	6.4
219.10211	10.8
224.47534	6.6
232.99103	5.5
249.15953	6.2
275.78296	6.5
399.16547	57.2
435.14301	100.0
435.97787	57.9
436.15131	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98815	94.2
62.39130	28.1
64.89174	28.6
65.90249	26.0
69.72162	79.5
71.01372	28.4
89.02458	30.9
96.95966	40.7
101.02463	35.9
113.46580	24.5
121.46039	23.0
126.63985	23.3
359.93933	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.0
59.55339	0.3
60.01720	0.4
61.98825	1.6
67.68237	0.3
71.01382	2.7
73.02933	0.6
75.00885	0.5
85.02962	0.8
89.02457	1.4
91.63712	0.3
95.01404	0.7
96.96017	0.4
101.02468	1.7
113.02454	3.5
119.03511	1.1
141.40269	0.3
161.04584	0.5
165.12857	0.4
178.05182	0.3
183.13902	8.0
184.14218	0.6
195.13911	6.5
197.15407	0.5
207.14053	0.4
211.13475	0.5
213.14958	100.0
214.15302	5.5
223.17053	0.4
227.16579	0.7
237.14990	0.7
255.16010	1.8
267.16089	0.7
435.25647	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	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14238	0.4
55.01869	1.3
57.03452	0.8
58.00592	1.2
58.61895	0.4
59.01377	93.5
60.01698	0.5
61.98835	2.0
69.03445	0.8
70.68488	0.7
71.01379	60.6
72.01727	0.7
72.99312	1.1
73.02944	20.2
74.03324	0.4
75.00867	0.8
75.36627	0.4
81.58186	0.4
83.01375	2.0
85.02951	7.3
87.00877	1.3
89.02441	100.0
90.02785	1.6
90.64506	0.3
95.01382	1.9
97.02947	1.7
99.00876	29.9
101.02439	39.9
102.02750	0.5
110.03396	0.4
111.99548	0.4
113.02445	14.6
115.04031	1.1
119.02644	0.6
119.03504	11.6
125.02446	4.8
131.03502	18.5
143.03476	3.0
149.04552	63.5
150.04865	1.5
151.46396	0.4
161.04556	3.8
162.83878	0.5
164.83595	1.1
179.05602	5.1
191.05608	14.9
203.89755	0.4
221.06615	2.5
233.06703	1.4
247.47000	0.4
251.07759	4.0
293.08887	1.2
303.18112	1.0
326.63449	0.4
364.03519	0.4
382.41507	0.4
435.22302	25.4
436.22919	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	435.2247
Annotation	HC-toxin
Peak:m/z	Relative Intensity
59.01366	1.9
60.03135	0.5
61.98836	2.6
62.54058	0.5
71.01384	0.6
71.02499	2.1
72.00895	2.9
73.04070	16.4
83.02506	2.3
85.02960	1.4
86.14225	0.5
87.05597	0.6
91.05526	5.9
95.02515	1.1
97.30694	0.5
98.01199	0.6
99.02000	0.9
111.01955	0.6
111.04365	0.7
112.05158	1.4
113.03580	4.9
115.51777	0.6
116.07159	0.9
117.06686	4.7
119.05082	0.8
120.84819	0.5
121.11848	0.6
121.53049	0.6
126.09231	0.6
129.10349	8.7
129.46596	0.4
130.06221	7.1
130.08723	1.1
131.04706	0.5
139.08728	0.6
141.10335	1.1
143.11865	1.2
147.04527	13.7
148.04832	0.7
151.08757	2.9
152.07211	0.8
155.08264	2.1
164.07164	29.5
165.07423	1.6
168.06517	2.4
168.11421	11.0
168.12845	0.5
169.09830	1.8
177.10283	0.6
186.12462	16.6
187.12895	0.8
202.07478	1.4
225.13564	24.3
226.13907	1.4
233.16559	6.8
243.14624	1.7
259.14447	1.5
277.15622	2.4
282.04126	0.5
290.18729	6.0
334.17517	1.0
347.20914	3.8
347.55170	0.5
358.96497	0.5
391.19858	21.8
392.20016	2.4
399.22662	1.3
417.21518	1.0
435.22449	100.0
436.22839	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	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
69.29712	0.7
70.94459	1.2
78.95903	54.2
85.00388	0.8
90.96680	0.5
92.92838	1.2
95.67351	0.6
96.96948	5.0
105.43095	0.7
111.63061	0.6
116.92857	1.9
150.98024	1.8
152.99586	100.0
153.99966	1.6
158.84682	1.6
162.75438	0.6
171.00659	3.9
267.23450	1.2
281.24677	1.8
387.75522	0.8
435.20322	2.5
435.25192	9.2
436.06427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38112	0.2
67.67395	0.2
70.67626	0.3
77.93420	0.2
78.95901	55.8
96.96958	5.7
139.42738	0.2
150.98000	2.0
152.99580	100.0
153.99889	1.2
171.00638	4.3
237.18195	0.2
241.86450	0.2
281.24911	1.0
435.25125	12.0
436.25549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2515
Annotation	lysophosphatidic acid
Peak:m/z	Relative Intensity
50.61701	0.2
62.96389	0.3
67.73089	0.2
69.48187	0.9
73.05795	0.2
78.95902	52.6
84.76324	0.2
92.52793	0.2
96.96963	5.9
97.06568	0.5
103.09421	0.2
150.98030	1.5
152.99586	100.0
153.18436	0.2
153.99924	1.2
163.11279	0.8
171.00644	4.2
171.21645	0.2
281.24835	0.9
284.30908	0.2
304.46066	0.2
435.25034	9.3
436.25217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2514
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
59.45931	0.6
61.98819	1.0
71.03291	0.6
78.95904	76.8
92.92780	1.0
92.93381	0.6
96.96967	6.2
98.79368	0.6
99.57567	0.6
116.92894	0.6
122.28626	0.6
150.98039	2.4
152.99588	100.0
153.99944	1.7
171.00662	2.9
251.98685	0.6
256.37949	0.5
281.24860	2.4
397.25754	0.6
435.25076	13.9
436.25348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69559	0.2
59.01368	0.3
61.98827	0.3
62.39589	0.2
64.07820	0.2
69.20943	1.0
71.36034	0.2
91.05538	0.2
93.03457	0.7
94.06614	0.3
117.03494	0.7
119.05022	100.0
120.01243	1.5
120.05346	3.1
120.08163	0.4
122.06160	0.5
124.44005	0.2
132.05814	0.6
136.07661	0.2
144.04562	0.3
145.02948	2.9
148.07657	0.4
160.04039	0.3
162.05589	0.3
164.07143	0.2
215.12013	0.2
231.11340	0.2
231.14940	0.3
243.15063	0.5
253.13635	0.3
271.14441	0.2
272.17508	0.2
273.16071	4.3
274.16193	0.5
287.14050	0.5
290.18710	1.5
315.13483	7.2
316.16638	41.3
317.16959	3.1
436.22366	14.2
437.22778	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	436.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38963	0.3
57.03444	0.7
59.01379	4.2
61.98829	7.5
67.92381	0.3
71.01373	2.3
73.02940	0.4
74.02455	0.3
75.00877	0.4
75.79826	0.3
83.01395	0.3
83.34010	0.3
85.02956	0.6
87.00880	0.3
89.02450	0.8
93.03433	0.6
94.69604	0.3
99.04503	0.6
101.02425	1.6
113.02446	0.9
113.78522	0.3
117.03478	1.1
119.05025	100.0
120.01259	0.9
120.05375	3.0
122.30771	0.3
125.02385	0.4
128.03564	0.5
130.08768	0.6
132.05771	0.4
136.07600	0.4
145.02959	2.7
161.04573	0.5
166.02676	0.4
181.05042	0.4
187.07629	0.6
189.98346	0.3
201.11356	0.3
231.15068	0.3
243.14995	0.6
257.08231	0.9
273.16074	4.6
274.16003	0.3
278.11752	0.3
290.18796	1.0
305.16010	0.7
315.13449	3.8
316.16644	38.5
317.17020	3.4
358.13568	0.6
401.24100	0.5
436.22406	17.1
437.14691	0.4
437.23700	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	437.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01379	2.4
61.98829	5.3
64.84486	0.2
69.75432	0.6
69.75786	0.4
71.01366	0.6
75.00840	0.2
79.95280	0.5
79.95737	6.9
85.02937	0.3
87.00890	0.3
94.06630	0.7
96.96012	100.0
98.21947	0.5
99.04524	0.5
101.02445	0.7
103.51352	0.2
105.03517	0.3
106.56139	0.2
110.97582	0.6
119.05060	0.2
120.08204	1.4
120.99659	28.3
122.06121	1.0
123.04494	0.3
132.02223	0.3
133.02922	0.4
134.03737	0.3
136.07664	0.8
137.02448	0.8
148.07669	0.8
150.03241	0.3
157.11613	0.2
160.01698	0.7
161.07172	0.5
164.07115	0.3
190.06317	0.2
193.07381	0.3
215.11838	0.5
227.11891	0.6
243.11417	0.5
243.14964	1.8
253.13403	0.5
269.08109	0.3
269.12900	0.3
271.14383	0.5
279.06647	0.4
287.13974	2.4
297.07654	1.5
298.07819	0.2
312.10004	1.3
313.10599	0.4
315.13504	30.1
316.13763	2.7
340.08054	0.9
361.98386	0.2
434.96652	0.3
436.23679	1.1
437.09076	32.6
437.23563	1.6
438.09390	3.1
455.69897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1389
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
53.94284	4.0
54.23668	3.8
65.67665	3.7
71.41022	4.5
98.75175	3.7
110.85507	3.4
117.80534	3.4
120.08179	5.8
120.99657	93.2
121.42138	3.9
122.06023	4.0
176.64160	4.2
243.15015	5.8
287.14008	7.4
287.95639	4.5
311.87128	4.7
313.14651	4.6
315.13501	100.0
316.13562	7.6
333.72873	4.0
348.85175	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	437.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41110	0.5
58.30088	0.5
59.01376	3.5
59.20858	0.7
59.43515	0.6
61.98829	5.2
62.90416	0.7
73.28643	0.6
77.71210	0.5
94.06609	2.4
95.05045	0.7
98.22685	1.4
118.39452	0.6
119.05015	7.3
120.05397	1.6
120.08186	6.0
120.99651	100.0
121.05311	0.7
122.00032	1.4
122.06131	4.6
127.54974	0.5
136.07671	2.9
148.07669	4.0
152.07161	0.6
161.07239	2.2
164.07155	1.3
191.92242	0.6
204.40085	0.6
215.11902	2.2
227.11861	1.4
241.13466	0.7
243.11322	1.0
243.15021	8.7
244.15369	0.7
253.13539	1.9
271.14517	2.5
287.14044	10.9
288.14249	0.9
315.13486	98.3
316.13708	7.6
316.16702	1.0
317.16968	1.2
395.35107	0.6
416.93515	0.7
437.13605	1.1
437.23047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1387
Annotation	Ptychantol C
Peak:m/z	Relative Intensity
59.01380	1.8
66.03484	0.5
72.11752	0.5
79.91072	0.4
79.95744	0.8
94.06654	1.1
96.96008	10.3
113.97972	0.4
119.05031	0.6
120.04502	0.5
120.08190	4.1
120.99654	100.0
122.00024	1.0
122.06132	3.3
136.07686	3.1
137.58037	0.5
148.07716	3.2
161.07204	1.3
164.07101	1.1
193.07440	1.0
200.14514	0.7
207.79047	0.5
215.11847	1.8
227.11931	1.6
243.11322	1.0
243.15048	7.8
253.13408	2.1
269.12961	0.9
271.14523	1.7
287.14023	9.2
288.14352	1.3
315.13495	97.8
316.13785	7.7
437.09045	4.1
437.13901	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	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	7.3
62.13789	4.9
63.24719	5.0
69.77271	6.2
69.77618	18.4
71.01377	6.6
74.22971	4.9
89.02460	9.1
91.00047	5.6
98.22549	7.3
103.16862	5.4
108.91617	6.4
124.10077	6.2
130.58925	5.1
133.62318	5.8
147.57724	5.4
177.19360	5.9
203.11314	5.5
269.02475	5.6
391.63742	6.3
437.15866	100.0
438.16058	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	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	4.1
56.77117	4.0
57.03447	59.0
59.01377	100.0
61.98824	33.3
66.34491	3.6
69.37254	13.7
71.01378	40.2
72.99304	6.1
73.02947	16.3
75.00883	7.6
85.02939	16.8
89.02451	17.5
95.54752	3.9
96.95995	10.1
99.04520	50.1
101.02435	34.9
113.02441	11.5
119.05051	39.1
120.05312	22.0
125.02429	18.2
128.03487	4.5
130.08736	6.6
135.08156	4.3
161.04539	8.9
165.05598	4.9
185.02425	5.2
187.07596	19.2
200.04807	6.8
213.09064	9.6
215.07173	10.1
224.07130	4.1
227.03464	4.4
231.10226	10.9
239.09230	5.1
257.08139	37.2
275.09238	8.5
288.67358	4.6
293.15945	13.7
305.16089	13.7
316.16602	7.2
317.16840	13.5
335.17169	6.7
401.23938	6.9
437.09735	6.5
437.14804	20.0
437.20425	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14600	3.6
53.50306	3.1
59.01376	79.6
61.98817	13.7
71.01388	48.7
71.46066	4.1
72.97327	3.2
72.99298	4.6
73.02941	10.9
80.91673	13.7
85.02959	10.0
87.00838	4.1
87.93230	3.6
88.04009	4.0
89.02439	70.0
92.16252	3.0
95.01360	4.6
96.96012	4.5
97.02967	3.4
99.00877	17.1
101.02447	38.5
102.02856	3.3
113.02434	19.1
119.03495	19.9
130.08713	3.5
131.03494	12.4
134.03665	4.0
143.03505	7.3
149.04538	36.3
151.04012	4.9
160.01694	19.3
161.04599	4.4
161.09775	5.1
165.01836	4.5
165.05589	6.0
166.02727	5.8
175.04002	45.1
179.05589	15.5
181.05052	14.6
191.05679	6.6
193.05049	8.0
195.06548	6.6
203.10680	3.9
217.05087	4.5
221.11847	5.8
355.10251	12.6
372.76563	3.6
383.16974	10.3
399.16504	6.9
399.26480	4.5
401.18060	5.9
420.31906	4.1
436.69516	4.3
437.15475	100.0
437.21469	28.3
438.15604	5.2
438.20996	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	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60651	6.3
57.03452	7.1
59.01373	92.7
61.67100	5.9
61.98817	17.5
66.23289	6.0
68.31051	7.4
68.54591	6.1
69.34083	35.7
70.62117	5.8
71.01381	84.2
71.76276	6.1
73.02929	21.1
81.04707	7.0
83.01385	11.4
85.02942	38.2
87.00895	8.8
88.04038	10.4
89.02438	45.1
91.61197	5.8
92.85605	6.0
95.89951	6.1
97.06577	7.0
99.00890	7.0
101.02448	52.1
113.02426	31.3
113.98013	6.5
119.03490	14.3
120.01236	15.4
130.08702	7.6
135.04538	7.9
143.03477	9.3
148.86092	7.3
161.04546	21.6
163.04008	12.0
203.10760	27.3
221.11806	25.6
239.05637	12.9
245.61252	6.5
255.11346	14.5
269.10303	15.4
273.12396	10.6
305.15979	22.1
357.21585	8.5
377.17929	9.5
383.17014	17.7
401.14005	100.0
401.18237	21.7
401.23599	16.7
402.14505	7.9
407.19055	9.1
437.11945	57.3
437.16138	33.1
437.20862	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	59.9
59.37651	5.9
61.98821	44.0
69.18159	44.8
71.01382	30.0
73.02941	14.4
73.04075	7.9
74.02451	16.0
78.91893	26.4
79.73543	7.2
85.02951	8.9
87.00873	9.4
88.04032	9.9
89.02451	28.9
99.04585	9.2
101.02440	25.7
113.02465	14.2
113.26299	7.7
119.03497	8.1
125.06068	8.4
128.03560	14.5
130.08827	9.9
150.03210	12.8
151.00485	8.4
161.04556	16.4
165.01953	9.5
165.05646	9.1
166.02689	14.1
179.05626	13.3
181.05069	36.4
187.07660	9.8
195.06581	15.5
201.11285	28.3
201.13663	6.1
221.11787	11.7
231.10300	10.2
257.08313	7.2
302.96875	6.4
305.16165	24.5
316.14133	8.9
357.21350	12.2
377.18253	15.8
401.23923	33.0
437.08685	34.1
437.15411	100.0
437.20615	18.4
438.08929	8.0
438.15088	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	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79675	4.7
59.01378	13.2
71.13890	4.6
75.17336	5.0
75.92193	4.8
80.68996	4.5
89.02464	6.8
111.33084	5.6
111.33834	5.1
112.64729	4.3
152.07231	4.6
160.66414	4.9
168.05084	4.1
171.56384	4.5
183.03549	5.0
279.00586	4.9
437.10269	10.2
437.15811	100.0
437.21207	10.6
438.16232	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	437.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75680	1.7
53.93171	1.6
57.03448	82.5
59.01378	100.0
61.98824	19.3
63.21879	1.5
68.60739	1.9
69.37656	5.3
69.38063	3.7
71.01382	27.6
73.02960	6.5
73.04044	1.9
74.02477	2.1
75.00867	2.1
78.95901	2.0
81.03524	2.4
83.01390	6.6
85.02953	13.9
87.05647	3.2
89.02444	11.9
96.96042	2.6
99.00906	3.6
99.04519	84.5
101.02441	40.5
113.02461	11.1
113.03633	1.9
116.05097	2.3
116.07197	2.6
119.03460	2.3
120.01199	2.3
125.02434	25.9
130.08702	3.4
137.02361	3.5
143.03488	2.6
144.07776	2.9
148.04118	2.3
149.04541	3.8
150.05597	1.7
159.02986	2.6
161.04562	8.9
163.03970	1.8
175.03932	1.5
180.06619	2.2
187.07651	5.3
200.04852	2.6
201.11282	9.8
203.08276	1.6
213.05461	1.8
213.09041	1.7
215.07173	3.0
231.10110	2.6
239.09259	6.3
239.12935	4.1
257.08081	12.0
275.14990	3.3
293.16083	19.2
299.09662	1.9
305.16083	3.6
307.63150	1.9
335.17047	5.5
384.47198	1.8
389.15872	5.0
399.26126	7.2
401.18228	3.5
401.23810	2.2
433.75000	2.1
437.14737	3.9
437.20325	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39869	18.0
59.01371	55.8
61.98818	43.8
64.78444	15.1
69.21005	100.0
69.44019	17.6
74.87549	17.0
107.65462	18.3
117.26575	19.3
137.62866	19.3
140.86703	16.6
162.18674	17.8
180.91809	17.5
215.16507	34.5
313.36725	17.4
437.22855	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35050	14.9
56.77441	17.5
61.98816	61.8
69.13530	100.0
75.55106	16.7
96.95982	21.9
98.21817	36.4
120.63000	16.8
132.02112	36.1
133.02922	28.7
134.03731	21.9
160.01659	78.6
178.02756	18.4
340.07892	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	51.2
61.12757	19.5
61.98822	79.7
65.49638	20.9
69.32726	100.0
72.45820	19.7
81.18909	20.9
83.58198	23.3
98.75241	25.3
132.38211	25.6
147.53343	23.9
151.08595	20.3
218.11389	24.6
294.32697	21.4
426.07840	27.3
437.23080	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43252	33.6
51.74017	31.7
55.17879	31.6
55.52874	32.5
61.57372	32.7
71.15060	42.7
91.01376	35.2
111.22215	38.2
122.09658	34.1
185.21512	36.1
191.19635	33.3
295.49817	36.2
309.20865	45.5
384.36453	36.3
396.97763	39.6
437.22958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70756	17.2
50.82611	20.1
51.92909	17.1
63.63174	16.2
69.32659	100.0
107.45124	19.5
157.68402	16.5
173.20917	20.2
261.08444	18.6
327.21820	24.5
400.66272	25.0
437.23224	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	438.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98828	100.0
69.42714	1.0
188.60771	0.3
196.06017	0.3
235.17151	0.3
406.45941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98828	100.0
71.01377	0.2
73.61893	0.2
96.96066	0.2
132.02251	0.2
146.35089	0.2
148.24741	0.2
160.01732	0.2
328.18042	0.2
333.85156	0.2
341.08362	0.5
341.69553	0.2
384.21390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85090	0.7
58.02979	4.2
59.01377	1.0
61.98816	1.9
67.03001	1.0
68.99860	0.6
69.17292	2.0
69.17702	1.7
74.02452	1.1
74.34297	0.7
77.84852	0.6
82.02969	1.0
84.04542	2.7
85.02934	1.5
89.02464	0.6
96.95995	0.8
101.02446	0.6
101.07195	3.8
108.75901	0.6
109.04079	6.2
111.40515	0.7
120.01252	1.7
125.03542	1.1
125.07195	2.5
127.05133	32.6
128.03535	7.4
134.06123	3.0
137.07214	1.0
138.05574	1.4
145.06190	33.9
149.13333	1.1
230.19119	0.8
233.16528	0.8
255.11330	1.8
259.18127	0.8
273.12521	0.7
290.22443	0.9
310.20200	0.6
340.24033	0.7
420.25125	3.5
438.26068	100.0
439.17453	1.6
439.26389	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	438.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	17.4
84.79144	0.5
86.14149	0.5
95.78830	0.6
122.00122	1.1
135.05707	0.6
140.01204	4.9
152.99553	1.5
180.56519	0.6
196.03796	9.5
214.04855	2.5
217.55765	0.7
241.21724	100.0
242.22069	7.0
401.05374	0.6
438.26230	34.6
439.26529	3.6
460.94781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07050	0.4
58.17836	0.3
59.01392	1.7
61.44458	0.4
65.57217	0.3
69.33300	1.5
71.01384	1.2
78.95929	0.8
79.95746	2.6
85.02954	0.3
89.02404	0.4
92.77287	0.3
96.96010	100.0
98.95580	0.8
101.02454	0.6
133.02971	5.4
135.04533	2.7
161.02443	31.2
162.02785	1.4
179.03511	5.3
191.00285	1.2
203.97321	0.5
205.98949	0.8
216.98253	0.9
221.04536	0.5
230.99831	0.5
233.01276	1.1
234.99246	1.5
258.99240	1.1
277.00290	6.3
319.01376	1.0
341.08746	14.2
342.09219	0.8
439.02142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65868	0.2
59.01371	0.3
70.84596	0.4
77.35297	0.2
78.95903	10.8
79.95737	1.8
89.02487	0.2
96.96011	100.0
96.96936	26.8
97.95956	0.4
105.56370	0.2
114.07903	0.2
137.69763	0.2
150.58171	0.2
235.58551	0.2
247.25633	0.2
293.18140	0.3
341.10980	0.8
402.66324	0.2
439.08630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
70.83448	0.3
71.01378	1.1
78.13634	0.3
78.35418	0.3
78.95903	43.9
89.02452	1.4
96.96062	6.7
96.96960	100.0
101.02441	0.4
102.95258	0.3
113.02384	0.4
119.03468	0.4
123.02002	0.3
179.05641	0.4
205.81555	0.3
214.56818	0.3
341.10889	2.6
361.25906	0.3
439.08472	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	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52156	0.1
55.38962	0.2
59.01375	0.5
62.96408	0.2
69.94936	0.3
69.95270	0.3
71.01392	0.2
72.99298	0.2
78.95902	44.8
82.38900	0.2
85.02965	0.1
96.96071	4.1
96.96958	100.0
101.02412	0.2
133.50189	0.2
137.22878	0.2
179.05763	0.2
186.03932	0.2
196.95612	0.2
341.10760	0.6
439.08542	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	439.1068
Annotation	Hallactone B
Peak:m/z	Relative Intensity
50.07815	0.9
59.66653	0.8
59.89881	0.7
61.98818	1.1
67.78224	0.8
79.95737	57.2
95.95229	14.4
96.96012	97.4
102.71417	0.8
106.46004	0.8
110.97584	5.8
127.77168	0.9
136.37686	0.8
137.02448	2.5
149.99937	1.1
213.62843	0.8
215.94090	0.9
259.02701	2.0
266.43646	0.9
279.72305	0.9
424.08243	3.1
439.10666	100.0
440.10953	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	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
65.10612	1.2
69.40367	1.1
69.56879	3.6
71.01385	2.1
74.32744	1.1
78.95911	2.1
79.95721	1.7
85.02989	1.6
96.96012	100.0
96.96999	3.3
98.95565	1.6
99.92576	1.5
100.93341	1.6
115.92066	2.8
133.02954	6.9
135.04523	4.1
161.02446	33.6
162.02795	1.8
162.71307	1.2
167.22487	1.4
177.01965	1.4
179.03513	6.6
191.00206	3.6
205.98962	1.7
216.98181	1.6
233.01271	2.4
234.99164	2.6
258.99228	1.5
277.00381	12.0
319.01120	1.4
341.08746	15.7
439.01907	1.9
439.17560	14.5
440.18063	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	439.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90046	1.1
55.47505	1.2
55.48406	1.1
59.01376	7.3
61.98818	2.9
69.03452	1.1
70.68218	2.8
71.01379	5.1
78.88777	1.2
78.95889	2.5
79.95724	2.2
89.02401	2.1
96.96008	100.0
96.96981	2.5
98.95587	6.2
99.00893	1.6
99.92590	6.0
100.93369	3.6
101.02430	3.1
113.02463	1.2
115.00364	2.0
115.05112	1.8
115.92030	4.8
116.92849	3.8
118.96687	1.1
133.02966	6.6
134.04688	1.4
135.04547	3.3
141.93661	1.8
144.54237	1.1
146.72008	1.2
147.04494	1.4
161.02437	28.1
161.04486	1.6
164.07144	2.0
176.18929	1.2
177.01950	9.6
178.02457	1.1
179.03455	5.0
188.20377	1.3
191.00278	2.6
218.10486	2.3
233.01183	2.2
234.99150	3.0
238.57982	1.3
242.96027	1.7
258.99115	2.3
259.94095	1.6
260.94763	2.7
260.97220	1.9
261.97787	4.2
276.94278	1.5
277.00302	13.3
277.62079	1.2
306.93494	1.3
312.02164	1.6
319.01270	2.1
320.12579	2.4
341.08801	13.2
439.00305	1.9
439.17123	12.5
440.16599	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	439.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.6
61.98808	1.8
71.01378	18.5
73.02947	10.2
85.02955	2.0
87.00813	0.8
89.02443	21.8
96.96000	4.0
99.00878	20.8
99.08158	16.4
101.02448	9.0
102.05598	2.7
105.09709	0.8
113.02451	3.4
113.44547	0.7
119.03506	0.9
125.02434	1.6
128.03520	2.9
129.00848	0.9
129.09253	0.8
131.03482	3.2
143.03487	0.9
145.08708	47.8
149.04543	5.3
161.04550	1.7
172.69409	0.8
191.05609	5.5
216.17856	0.8
227.33270	1.0
232.99001	2.1
251.18945	0.8
276.97995	1.3
307.17551	1.7
439.18176	100.0
439.23654	4.1
440.18588	8.4
440.23993	1.5
458.09583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	84.5
61.98845	3.1
68.56049	2.6
68.99563	9.3
69.62678	5.7
69.63063	6.0
71.01382	53.0
73.02937	15.8
85.02964	7.3
89.02442	81.2
96.95963	3.8
99.00862	13.3
101.02428	35.4
112.98572	10.5
113.02449	17.8
119.03498	15.1
125.02441	4.2
131.03488	10.6
143.03514	3.5
147.23271	2.7
149.04549	34.9
161.04506	5.6
172.95372	4.9
172.96709	11.0
179.05591	5.8
182.55548	2.4
191.05627	8.6
200.96207	7.6
205.07172	4.4
228.61252	2.6
247.11716	2.6
251.07649	3.1
258.07370	2.5
274.99930	23.1
366.94678	3.2
379.16037	100.0
380.16397	5.3
403.19617	13.8
439.04596	8.3
439.17395	48.5
439.55334	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	439.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56503	0.7
58.02961	1.8
59.01372	2.7
61.98827	1.1
68.97603	0.8
74.02464	2.0
84.04556	6.0
85.02966	1.3
96.96001	4.5
100.04005	0.9
100.07675	3.4
102.05605	43.4
102.21254	0.8
103.05955	0.7
111.34191	0.9
128.03535	55.1
139.00468	0.8
142.00609	0.8
145.06183	0.9
146.04596	8.3
193.12367	1.9
260.16547	1.5
278.17523	1.2
278.99255	0.8
283.25824	0.8
290.82843	1.0
292.19186	2.9
310.20224	24.5
311.20584	2.6
379.10846	1.2
395.25452	7.6
421.23627	5.6
439.24460	100.0
440.24655	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	439.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25045	11.5
83.24629	12.1
88.98810	100.0
89.02419	20.0
98.21913	37.9
99.31043	11.4
109.12018	13.6
123.68000	12.3
127.25961	11.6
165.12814	19.9
181.52386	13.2
209.48534	12.1
233.11568	61.4
290.18036	13.4
349.19742	44.0
439.25003	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	439.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	44.3
69.32911	100.0
69.33297	66.4
107.39725	38.7
189.57622	45.8
192.95851	61.0
262.17123	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10163	0.5
50.94541	0.5
53.61500	0.5
57.03431	0.7
59.01370	2.5
61.98833	3.5
69.36899	1.1
69.37305	1.7
71.01379	1.6
73.02987	0.5
79.95737	31.5
80.96519	1.0
82.95383	0.5
85.02942	0.8
89.02450	0.9
95.94595	0.8
95.95230	19.9
96.96010	80.1
109.96775	0.6
110.97591	7.4
113.02464	0.6
114.05588	0.8
115.00357	3.3
116.06458	0.5
116.07165	2.8
121.02937	0.6
122.03784	0.8
127.05206	0.6
129.10327	1.6
130.08719	2.5
133.02977	0.7
136.99149	5.3
139.11273	0.7
140.11656	0.8
141.95746	0.6
147.04610	0.6
152.08412	0.5
152.76070	0.4
165.05594	0.7
167.00188	42.0
170.85019	0.6
185.16652	0.6
191.01756	1.0
211.05983	0.6
220.59372	0.6
259.02786	0.5
273.04404	1.7
279.08960	2.2
287.06012	1.6
303.05493	1.9
312.56946	0.7
326.17242	1.4
352.53098	0.5
361.16605	1.0
395.07855	0.7
426.09836	3.4
441.12241	100.0
441.30582	6.0
442.12659	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58488	2.6
59.01373	24.4
69.56210	12.6
70.66523	2.6
71.01376	19.7
73.02951	13.7
83.01384	6.3
85.02945	11.6
87.00909	4.4
92.24135	3.1
95.01360	3.2
96.95988	7.2
98.22730	3.1
99.00865	3.8
101.02438	28.6
113.02426	11.3
127.05172	4.0
159.02960	2.9
161.04533	11.8
183.14990	4.2
227.13959	11.6
249.13396	33.9
381.17627	100.0
382.17856	7.0
424.21112	4.5
441.17938	9.7
441.23621	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.203
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
52.00614	0.5
55.25812	0.5
61.37356	0.5
61.93811	0.5
66.96008	0.5
70.96539	0.6
79.30322	0.5
92.95098	0.6
96.96044	0.7
98.22517	0.7
101.06100	1.8
104.46950	0.6
174.99599	0.5
196.11232	0.9
254.15459	6.5
255.15794	0.6
278.11737	1.3
280.16867	1.3
294.15033	3.6
333.17435	1.6
338.13922	0.8
348.19577	1.8
384.12961	2.7
441.20258	100.0
442.20627	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	442.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33811	2.3
58.83640	2.9
59.01377	100.0
61.98834	4.3
62.63325	2.2
63.79506	2.3
71.01379	57.1
72.99297	3.1
73.02938	5.6
74.02454	5.0
75.00872	3.7
85.02945	14.5
87.00877	5.3
87.05643	10.0
88.04038	7.7
89.02441	59.9
95.01379	4.6
96.96000	4.1
101.02452	38.3
113.02436	21.9
113.03573	5.5
114.05618	3.1
115.00337	5.4
115.08743	5.9
116.07180	8.9
119.03487	30.6
125.06072	4.8
127.05123	8.7
128.03516	6.4
129.10318	7.3
130.08731	7.4
131.03481	3.8
137.06107	3.9
139.04012	7.1
139.07674	3.4
143.03520	5.8
144.07729	5.1
145.06210	12.2
149.04549	5.1
153.09192	3.3
161.04517	7.5
171.14989	5.1
175.11253	36.2
177.09163	9.5
179.05667	12.3
181.08719	5.8
182.08324	3.1
184.10854	4.0
185.06100	5.0
186.06827	5.8
196.14534	6.7
201.09204	43.0
203.07118	3.8
204.07921	6.2
219.10263	48.6
237.11317	10.3
288.58530	3.0
309.22934	3.2
327.24121	3.7
344.03204	3.0
380.18500	3.2
381.15683	3.5
398.20352	5.9
399.16565	98.0
400.16721	9.9
414.32095	2.9
442.17618	5.0
442.26981	47.5
443.25253	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	443.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84299	0.4
59.01382	4.1
61.98831	2.4
69.14246	1.7
69.14658	1.3
71.01379	3.4
73.02950	3.2
74.02467	0.7
75.00864	0.6
78.01900	0.5
87.05634	2.7
88.04030	3.0
89.02436	1.7
96.96020	1.1
99.00876	4.1
99.92580	9.7
101.02441	1.5
101.07201	0.5
102.05630	1.1
103.49146	0.5
109.04062	0.8
113.02442	0.8
115.00375	1.4
115.08781	2.6
116.07180	1.7
116.92860	100.0
117.01945	8.2
117.03421	2.1
117.92883	3.2
119.03539	0.6
119.05029	0.8
127.05132	1.4
128.03546	4.3
129.10339	1.7
130.08731	1.4
132.03070	1.2
135.04521	4.8
145.02942	6.4
145.06171	2.9
146.04541	1.1
147.04497	0.5
155.08238	0.7
161.02368	0.8
163.03963	0.7
175.03931	0.4
179.11955	0.7
181.02446	0.5
185.92514	0.5
186.12495	0.5
191.40512	0.5
193.13492	0.7
196.14594	0.9
197.88092	0.4
205.05086	0.5
210.16266	0.8
214.15591	0.5
234.37108	0.5
252.20969	0.6
295.21442	0.5
297.07733	1.8
309.22925	2.2
325.09293	2.0
327.24115	1.6
328.19107	0.5
328.22574	1.7
353.06760	3.9
367.73093	0.5
383.07788	1.1
398.27985	0.5
399.26254	0.8
425.08627	0.5
425.24149	0.6
442.26556	5.2
443.09650	5.9
443.19470	0.6
443.25250	12.9
444.25027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.2
59.01077	3.1
59.01378	54.7
65.89980	2.4
67.18708	2.5
71.01374	35.2
78.95901	19.5
79.43340	2.5
85.02950	4.1
87.00880	6.3
89.02441	47.3
96.96960	10.7
98.97345	4.2
101.02440	56.1
111.00872	7.3
113.02460	13.4
117.66524	2.6
119.03511	17.6
126.98866	6.3
143.03523	5.4
151.37694	2.9
153.15369	2.6
161.04501	8.6
179.05588	25.5
191.01956	8.5
207.36194	2.5
234.95009	4.9
270.96063	3.1
308.98935	2.9
338.95773	3.6
340.09744	2.5
341.10867	100.0
346.05591	5.1
360.63977	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	443.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75959	3.9
57.03449	19.6
59.01377	63.0
60.12235	3.5
64.78995	3.7
70.50420	4.0
71.01379	37.1
78.95901	39.1
80.33949	4.2
85.02932	6.8
89.02425	47.6
94.93058	3.7
96.96957	16.1
101.02442	49.1
108.05498	3.4
111.00864	17.0
113.02453	18.5
119.03486	19.7
126.98885	7.0
140.62914	3.2
161.04544	4.8
179.05602	27.9
191.01959	9.3
214.92673	4.2
234.95049	3.6
312.66779	4.0
338.95990	5.0
341.10889	100.0
342.11176	5.2
346.05624	20.4
396.80722	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	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02952	2.4
52.67176	2.6
55.97686	2.5
59.01381	83.7
59.42068	2.2
59.59871	2.0
71.01379	55.7
71.07923	2.7
73.02941	11.8
80.56420	2.8
85.02930	7.5
89.02444	100.0
99.00903	2.5
101.02438	50.9
113.02454	10.7
119.03512	4.7
122.87152	2.2
125.02512	2.3
131.03505	30.5
143.87726	2.2
149.04558	75.8
191.05615	14.0
294.97723	2.7
311.09872	2.7
405.58057	2.6
454.31961	2.4
465.12213	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	443.1556
Annotation	Rossicasin A
Peak:m/z	Relative Intensity
57.14772	2.6
59.01375	97.2
71.01376	66.8
71.95208	2.9
73.02933	12.8
82.25351	3.3
83.01398	5.3
85.02949	8.1
88.25315	2.9
89.02444	100.0
101.02448	48.8
113.02429	7.5
119.03489	8.6
131.03476	25.2
145.84489	3.0
147.25110	3.0
149.04555	71.1
152.03613	2.9
191.05595	12.7
229.70737	3.0
284.11554	3.6
370.21985	3.0
373.42010	3.5
451.49448	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	443.1557
Annotation	Manglieside B
Peak:m/z	Relative Intensity
53.64919	0.1
55.01875	0.2
57.58451	0.1
59.01375	5.7
69.03436	0.4
70.31931	0.1
71.01377	4.7
73.02945	0.9
80.81164	0.1
81.03444	0.3
82.95382	0.2
83.01398	0.4
85.02934	0.5
89.02442	7.9
93.03442	0.3
97.02965	0.7
98.22172	0.2
99.00860	1.3
101.02427	1.2
108.02167	0.6
113.02453	0.6
115.03980	0.6
119.05036	0.2
120.47477	0.2
122.03761	1.0
125.02445	4.4
131.03485	1.2
131.05008	0.3
143.03523	0.4
147.04501	1.0
148.05307	2.3
149.06073	100.0
150.06403	3.8
161.04591	0.2
164.81227	0.2
191.05611	0.9
198.64279	0.2
233.06657	4.2
233.08859	0.3
238.30125	0.1
243.60635	0.2
293.08786	6.7
294.09222	0.2
443.15567	2.3
444.15729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Tataroside
Peak:m/z	Relative Intensity
51.18390	1.0
52.73914	1.1
57.03452	16.9
58.67846	1.2
59.01380	29.7
61.98801	3.5
66.72207	1.2
71.01378	12.4
73.02947	100.0
73.04034	2.9
79.05508	1.5
80.63824	1.1
81.03448	5.9
83.01394	2.1
83.05024	7.5
85.02937	3.4
87.00886	5.5
87.05628	1.8
89.02450	10.9
95.01392	2.3
95.05025	6.9
99.00897	1.2
101.02456	7.2
107.05009	5.5
109.06548	1.5
110.02456	2.8
113.02418	7.5
113.06087	5.0
116.92849	2.2
119.03484	2.4
122.21049	1.1
123.04507	2.4
125.02410	1.3
125.06081	13.5
126.06732	5.0
129.06654	1.6
130.08682	1.2
133.02715	1.1
135.08133	1.7
137.06091	1.4
139.07690	1.5
140.07220	2.3
144.07785	12.6
145.10223	3.3
147.08162	1.2
159.08215	1.3
159.11812	1.4
161.04523	3.4
161.09686	5.3
161.13322	4.3
163.11296	19.4
168.07828	9.4
169.06187	2.5
171.08099	1.2
177.12810	3.2
185.09653	1.3
186.08849	25.2
187.11281	40.5
188.11562	2.7
189.09212	2.5
203.10719	1.2
205.12332	35.6
206.12628	2.0
207.10266	33.0
208.10553	2.2
211.14438	4.2
219.13873	6.8
231.10301	6.7
249.11314	13.7
263.12918	19.8
281.13940	97.2
282.14111	6.4
305.13855	3.3
311.15125	5.5
353.06232	1.6
381.21390	2.4
392.68680	1.2
413.23886	13.9
414.24271	1.2
420.39276	1.3
443.09720	1.6
443.19089	5.9
443.23911	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	444.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98828	100.0
62.52768	0.3
70.96668	0.6
81.43858	0.3
89.02441	0.5
98.22004	0.4
123.04578	1.0
141.50462	0.3
145.02701	0.3
146.03714	0.4
161.06142	0.6
175.89502	0.3
195.04861	1.5
354.06912	0.4
357.10315	0.4
444.10132	0.5
444.25650	0.6
445.12003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94603	3.0
52.29226	2.6
56.12931	2.7
57.03426	3.0
58.56730	2.6
59.01378	100.0
61.98827	41.8
69.09222	6.5
69.09639	13.2
71.01389	38.2
71.05025	2.8
73.02949	6.5
74.02479	5.1
75.93456	2.7
77.22166	2.5
78.63512	3.1
83.01373	6.2
85.02950	9.2
87.00893	4.9
88.04069	4.7
89.02445	40.6
96.00930	5.2
98.02484	6.4
98.21885	6.6
101.02440	25.1
111.84119	2.5
113.02448	17.6
113.03574	3.4
114.37798	2.4
114.83165	2.5
119.03468	17.7
128.03522	3.5
129.10336	4.2
130.08751	32.1
131.04642	5.0
131.09076	7.5
137.09692	3.6
143.03409	3.8
153.09232	2.8
161.04601	14.1
163.67404	2.5
168.09097	3.5
169.09845	3.1
179.05586	14.0
199.18086	3.8
200.14040	2.4
203.10728	4.6
205.12326	20.9
207.92493	3.4
239.12891	4.7
268.03668	3.2
269.04395	15.9
283.11749	3.3
297.04025	10.9
324.05847	3.4
325.03384	6.6
327.05124	5.8
385.18875	15.1
401.23962	10.0
408.21240	4.1
409.21698	16.0
426.24350	5.2
427.22040	3.9
444.10391	7.2
444.25473	14.3
445.07642	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	444.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
70.98470	2.2
71.01381	53.9
72.99318	2.5
73.02914	2.2
73.04076	2.7
74.02466	4.4
83.02495	3.5
83.16382	1.7
84.00890	1.9
85.02950	8.0
87.00850	4.8
88.03996	2.7
89.02446	89.5
90.76640	1.8
96.00888	2.0
98.02462	2.1
101.02449	39.9
113.02445	28.5
115.00394	2.1
115.08751	5.7
119.03506	49.8
128.03551	4.6
129.10320	2.5
130.06192	2.5
130.08755	8.6
131.03455	4.4
141.10330	1.6
143.03517	10.1
149.04523	4.7
161.04550	13.3
166.08707	1.8
169.09827	3.6
179.05621	29.5
187.10777	2.5
203.10820	5.4
205.09866	1.9
206.09415	2.9
221.11781	12.7
247.08305	1.9
267.09888	12.9
276.61383	1.7
284.39658	1.8
293.35248	1.6
383.19244	7.2
400.22034	1.8
401.18118	36.3
402.18515	3.1
415.88657	1.8
427.21786	5.2
444.25073	8.1
445.23074	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	444.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
56.08821	1.4
59.01380	100.0
61.98821	2.0
62.28799	1.7
64.35820	1.5
69.32024	8.4
71.01380	47.2
72.99315	2.7
73.02936	2.4
73.04064	4.7
74.02465	5.3
75.00875	2.1
83.01370	2.4
85.02956	9.6
87.00881	4.3
88.04031	4.3
89.02448	74.7
89.03004	3.7
95.01380	2.8
96.00919	4.0
96.96014	2.9
98.02467	3.4
101.02438	35.1
103.00372	28.3
105.01946	11.9
106.69424	1.6
113.02445	22.9
115.00361	2.6
115.08770	2.9
116.92854	2.9
119.03500	35.7
127.05125	4.7
128.03519	8.6
129.10373	4.0
130.08751	3.7
131.03485	4.5
143.03490	5.9
143.04607	1.5
144.07698	1.6
145.06174	4.1
149.04552	3.1
153.09227	2.7
161.02435	7.1
161.04572	9.0
162.01949	2.3
166.08846	2.0
171.07739	2.5
175.65607	1.6
179.05620	22.4
200.13943	1.9
203.10768	6.6
206.09465	3.3
209.09261	2.2
221.11848	11.8
223.07675	2.4
239.12822	2.7
253.08438	2.2
256.15100	2.1
267.09909	2.7
285.19388	2.1
341.08780	3.1
383.19366	2.3
401.18030	21.4
402.18295	2.0
414.23615	2.8
423.16467	1.8
444.25281	13.8
445.23178	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	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20960	1.5
59.01370	3.1
61.98832	100.0
62.74571	1.2
67.00320	1.3
78.95912	11.4
95.58691	1.5
152.99588	29.5
212.55426	1.6
259.01526	1.4
263.91922	1.6
348.40143	1.5
444.15067	1.7
445.19641	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	444.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	9.9
61.98809	10.0
70.72165	4.9
78.95942	2.8
81.02174	3.3
87.05608	4.5
88.04028	3.6
93.03464	52.3
96.00914	57.1
96.96003	4.6
98.02477	48.2
98.69880	3.3
100.63682	3.3
105.01894	9.6
108.03357	4.4
109.01678	6.6
113.01186	12.7
113.03557	24.2
114.53039	3.7
115.08780	31.2
124.07692	5.8
127.05177	3.8
128.03508	8.8
130.08707	3.5
137.01434	5.0
137.02448	75.9
141.10312	3.1
151.08760	17.8
152.07179	20.5
153.05553	3.6
154.09814	5.6
155.08231	3.4
164.79811	2.9
167.04593	5.2
168.11423	8.0
169.09819	3.8
170.13048	4.5
174.45497	2.9
178.74742	2.8
179.08260	3.4
181.09979	6.7
186.12445	4.0
194.09245	8.1
195.07771	17.6
196.10863	8.6
198.12476	10.9
199.07028	3.1
212.10376	5.3
213.99564	3.9
226.15533	4.0
228.13452	7.3
234.16052	3.6
236.17657	6.6
237.16025	3.2
237.79073	3.3
253.20290	6.4
329.21893	5.0
346.52557	3.3
377.18201	8.7
394.20981	6.8
409.20920	80.3
410.21085	7.0
426.23648	100.0
427.23911	8.4
444.24597	35.0
445.13281	7.4
459.44357	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	444.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.9
58.90002	2.1
59.01385	12.7
61.98815	5.3
71.01379	4.4
75.00908	2.0
75.85316	1.9
85.02943	3.3
89.02451	5.0
91.04012	25.8
97.06548	2.5
98.22684	4.8
99.04556	2.0
128.13385	2.2
156.82481	2.3
171.10205	4.2
209.11844	3.1
211.13374	14.0
221.11787	2.9
229.14412	12.6
239.12775	2.7
291.19589	5.7
301.38528	2.0
309.20728	17.3
327.21738	100.0
328.22034	8.1
368.16794	2.7
386.28113	2.1
445.07990	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	444.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.4
61.98824	10.1
70.75762	2.5
70.76134	4.2
71.01385	2.9
81.85295	2.4
85.02956	5.2
89.02428	6.1
91.04009	22.6
119.14020	2.4
138.53122	2.5
168.67265	2.1
171.10263	16.5
211.13365	7.6
229.14561	4.0
291.19431	3.7
309.20673	12.5
327.21786	100.0
328.22040	8.1
358.22302	2.8
414.27432	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97704	5.8
52.82631	5.8
56.12758	5.0
59.01374	22.4
59.07515	5.2
61.81135	6.4
61.98844	9.0
63.58687	4.9
69.82897	16.6
69.83277	6.2
71.01419	6.0
74.02461	9.2
97.02972	8.8
125.02465	9.2
137.02452	40.3
143.01561	5.9
178.03340	10.8
186.12445	9.1
192.01274	12.4
206.02820	7.6
208.04414	8.4
212.76225	6.8
218.02698	6.0
220.04482	11.4
235.05476	9.4
263.04929	77.1
265.10825	8.9
280.47632	6.2
317.05984	6.9
337.07932	6.0
338.34854	6.3
398.92850	6.0
401.08127	100.0
401.18149	15.3
445.21021	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	445.1137
Annotation	Cytisoside
Peak:m/z	Relative Intensity
51.88350	0.7
59.01310	9.6
61.98758	3.3
68.21615	0.7
69.84827	2.1
71.01305	3.7
73.02890	1.1
75.00809	2.0
79.01812	1.9
79.05477	1.1
85.02901	1.0
87.00813	1.1
89.02387	1.5
93.03375	2.9
95.04983	0.8
99.04472	1.2
101.02389	1.8
107.04936	0.9
113.02422	1.0
117.03454	10.1
119.04933	2.2
120.99559	1.1
121.02930	1.2
121.80243	0.7
123.04442	0.7
130.08643	1.1
133.02933	1.1
133.06520	1.3
135.04517	4.3
137.02397	1.2
140.07127	0.7
147.04437	0.8
149.02458	1.0
149.06046	1.7
159.04428	1.2
161.02452	3.4
163.03952	1.8
165.01846	1.3
169.06529	1.1
173.05969	1.5
175.03979	3.9
177.01892	1.8
177.05542	4.7
179.03471	1.1
187.03960	0.8
189.01854	1.6
191.03384	0.9
197.06001	1.5
204.42064	0.7
205.04979	1.4
223.07524	1.0
225.05556	0.7
238.06436	1.6
239.07123	0.9
251.07149	1.2
253.08601	2.1
255.02972	1.6
267.06558	1.0
269.04462	4.4
281.04498	1.8
282.05280	8.9
283.02863	1.2
283.06116	15.1
283.11789	3.8
289.79364	0.8
295.06122	18.0
296.06873	11.5
297.04245	3.2
297.07642	51.1
298.04858	0.7
298.07895	4.1
307.06137	3.3
309.07730	6.6
312.06470	1.1
322.04755	1.2
325.07156	100.0
326.07462	7.5
327.05090	1.0
327.08755	1.5
328.05865	2.5
337.03372	1.1
337.07193	11.9
339.08777	2.2
342.11108	1.4
355.08224	53.6
356.08630	3.5
357.13281	3.8
367.08261	4.0
385.09500	1.2
409.09885	0.9
427.10361	5.0
445.11520	79.3
446.11783	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	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20824	1.2
59.01379	14.1
69.51737	4.7
71.01389	2.4
72.00906	2.3
74.02448	3.5
75.00872	66.5
78.95899	1.5
87.00883	1.6
89.02447	5.1
93.03460	1.9
98.21893	2.3
101.02459	2.5
103.00374	100.0
103.01493	5.9
104.00706	1.5
104.03542	19.9
108.39875	1.0
111.00880	1.6
119.03506	2.5
128.03458	1.2
137.02438	2.1
179.05591	3.8
191.01897	2.7
214.28104	1.2
232.98921	1.4
266.99048	1.1
341.10901	12.2
354.96680	1.3
385.69211	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	445.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
70.57738	0.7
70.65745	1.3
87.92404	0.8
89.02420	1.2
93.03458	76.2
94.03814	1.6
96.96001	0.9
137.02444	100.0
138.02788	1.9
176.27914	0.9
176.44722	0.7
281.06689	1.5
437.65945	0.9
445.13425	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	445.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.5
67.05533	1.1
71.36071	1.5
72.22910	1.0
83.62542	1.0
86.10522	0.9
89.17326	0.9
89.78218	0.9
90.36016	1.0
99.04520	1.6
109.06577	1.8
111.04517	100.0
112.04855	2.4
118.90421	0.9
123.04536	2.7
123.08195	3.8
125.02441	15.9
153.05540	2.7
164.04785	4.0
165.09172	2.6
179.03450	1.3
180.04292	3.0
183.06631	1.1
192.04237	1.2
193.08705	22.8
193.12292	2.7
193.47488	1.0
194.09018	1.7
195.06607	8.2
202.94608	0.9
207.06613	12.7
209.08156	1.7
211.06126	1.0
232.07710	0.9
237.07669	83.6
237.11243	18.4
238.07948	2.9
291.08749	2.0
333.09933	2.4
357.16931	2.9
366.83029	0.9
387.38480	1.1
401.15805	2.0
445.08603	2.1
445.14880	20.4
446.15289	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	445.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.5
67.05533	1.1
71.36071	1.5
72.22910	1.0
83.62542	1.0
86.10522	0.9
89.17326	0.9
89.78218	0.9
90.36016	1.0
99.04520	1.6
109.06577	1.8
111.04517	100.0
112.04855	2.4
118.90421	0.9
123.04536	2.7
123.08195	3.8
125.02441	15.9
153.05540	2.7
164.04785	4.0
165.09172	2.6
179.03450	1.3
180.04292	3.0
183.06631	1.1
192.04237	1.2
193.08705	22.8
193.12292	2.7
193.47488	1.0
194.09018	1.7
195.06607	8.2
202.94608	0.9
207.06613	12.7
209.08156	1.7
211.06126	1.0
232.07710	0.9
237.07669	83.6
237.11243	18.4
238.07948	2.9
291.08749	2.0
333.09933	2.4
357.16931	2.9
366.83029	0.9
387.38480	1.1
401.15805	2.0
445.08603	2.1
445.14880	20.4
446.15289	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	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.3
59.01379	100.0
60.01674	1.4
61.98833	10.9
71.01384	18.9
71.45530	1.3
72.99312	1.4
73.02947	4.0
74.02480	2.2
75.00869	9.4
79.05532	2.6
82.95429	3.3
85.02950	6.8
87.00875	1.7
88.98798	1.4
89.02441	13.6
95.01424	1.3
96.95990	1.2
97.02980	2.1
97.06625	2.8
101.02438	13.2
109.06593	5.1
113.02447	16.7
114.05622	1.8
116.05027	1.5
119.03477	8.5
123.04560	2.7
127.05193	2.0
127.83614	1.2
128.03540	4.7
130.08751	8.1
135.11790	2.2
143.11925	1.4
161.04573	7.1
161.09727	2.0
168.94093	1.1
177.12834	1.6
179.05614	3.1
179.10762	19.0
195.04852	3.9
197.12897	1.6
203.08354	1.7
205.12341	5.7
223.09752	68.9
223.13387	6.2
224.10078	3.7
237.11412	2.6
255.03038	4.3
255.90083	1.4
265.10916	9.9
269.04556	11.2
283.02444	2.6
283.11826	4.8
284.75684	1.3
285.03894	1.6
295.11865	1.7
296.03369	1.8
297.04050	5.8
297.07025	1.4
314.11551	2.0
325.03525	3.0
327.04953	1.4
327.08850	2.4
338.69040	1.5
385.14661	1.5
385.18988	2.8
427.19843	3.4
445.07761	11.2
445.19724	6.4
445.25571	2.8
446.21228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22433	0.5
59.01378	100.0
60.01705	0.5
61.98534	0.7
61.98833	5.8
71.01382	10.2
72.99309	0.6
73.02938	0.9
75.00879	0.4
83.01412	0.6
85.02940	2.4
87.00902	1.2
89.02446	12.2
95.01397	0.6
97.06625	0.5
99.00912	0.5
99.04539	1.7
101.02441	6.2
113.02440	6.7
119.03500	6.0
119.04931	0.4
124.04007	0.4
130.08765	1.3
131.03558	0.6
143.03532	1.2
161.04546	2.8
161.09818	0.9
179.05627	3.1
179.10805	2.9
187.11330	1.2
188.22330	0.5
204.11826	0.4
205.12465	1.2
209.11790	1.9
223.09749	29.0
224.10197	1.6
233.12004	0.4
237.11443	1.0
255.03120	1.7
265.10788	2.3
269.04565	3.3
277.14514	0.6
283.02658	1.4
283.11862	2.0
297.04202	1.5
325.03549	0.7
355.04507	0.5
357.14713	0.4
367.17612	0.4
385.18771	2.5
425.65149	0.5
445.07724	2.4
445.20154	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21721	3.3
57.03439	8.8
59.01378	100.0
61.98828	10.9
64.27987	3.8
69.57419	9.6
71.01387	57.7
73.02940	23.9
83.01393	6.2
83.05038	5.0
85.02954	18.0
89.02442	23.1
91.11192	3.3
94.03438	3.6
95.01406	3.2
101.02451	27.3
113.02454	17.4
115.02240	3.4
119.03487	8.7
123.26695	3.8
127.04018	7.6
137.09694	5.6
138.13271	3.1
151.95503	3.2
161.04605	7.0
165.12978	4.1
167.14391	5.2
183.13895	3.5
185.11826	10.1
205.12349	88.7
223.13376	8.1
241.14478	30.9
247.13271	6.3
251.12834	6.3
255.02966	8.1
269.04529	11.7
277.16647	6.1
283.02615	4.2
283.15598	8.2
295.15585	9.8
297.03952	5.7
323.05548	5.8
325.03418	3.8
327.08792	4.9
357.13333	4.5
360.31168	4.2
367.17505	8.1
377.92886	4.2
385.18692	58.3
409.20834	28.3
445.12097	6.2
445.18463	24.3
445.24115	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07661	1.8
59.01377	100.0
61.98834	4.0
71.01380	19.0
71.45589	2.1
72.99250	1.9
83.05013	2.8
85.02949	3.5
89.02442	29.0
92.86449	1.8
101.02453	9.5
113.02442	8.7
114.20859	2.1
119.03471	8.2
128.35814	1.9
143.03461	3.8
149.04565	2.9
161.04497	2.5
179.05585	20.9
385.02179	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.37389	0.6
60.01718	1.0
61.98825	5.6
69.37022	2.9
71.01379	19.4
73.02937	1.2
74.02496	0.8
83.01429	0.8
83.05039	2.6
85.02955	2.7
87.00906	1.4
89.02442	30.3
95.01410	0.9
96.00925	1.0
101.02443	11.8
104.03526	0.9
113.02463	7.3
113.03208	0.7
113.03577	0.9
119.03497	12.0
123.04539	0.9
130.08734	0.8
131.03540	1.9
143.03476	4.3
146.03758	1.2
149.04556	1.3
161.04584	6.2
161.05922	1.0
177.61702	0.6
179.05617	20.9
179.07155	1.2
195.04865	3.0
205.12352	0.8
233.05771	0.7
283.11914	1.9
337.26163	0.6
345.80203	0.6
347.71204	0.6
402.94971	0.6
410.19394	2.9
427.22125	0.8
445.11026	1.7
445.22562	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72498	2.1
57.36603	2.1
59.01378	100.0
61.98821	3.9
69.04530	8.0
69.04951	7.3
71.01379	35.6
73.02941	5.9
80.09692	2.2
85.02938	12.8
88.04025	2.5
89.02443	18.8
95.01392	3.3
99.00892	2.2
101.02451	21.7
101.52207	2.2
113.02444	14.0
119.03490	8.3
125.06078	2.9
138.06856	9.6
143.03468	3.6
151.07663	5.8
152.08411	14.0
153.09221	47.9
159.03000	2.7
161.04558	21.8
179.05566	5.3
187.93741	2.3
195.04771	4.4
205.12274	15.2
223.13368	24.2
299.20322	2.2
385.18683	43.4
386.18970	4.0
445.10898	5.8
445.22653	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	445.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.7
69.10678	5.9
71.01389	3.1
73.04069	2.3
74.02457	2.9
80.97536	1.1
82.02979	3.0
83.02508	17.8
84.00909	10.7
84.04519	1.2
85.02968	1.1
89.02444	1.8
96.00916	9.4
96.96037	1.4
98.02469	12.3
101.02436	1.5
102.05612	1.8
110.02468	11.5
112.04045	6.5
113.02496	1.9
113.03535	1.3
115.08774	44.4
117.03484	1.2
119.03507	2.1
127.05090	1.9
128.03569	8.9
130.08742	54.2
138.02005	1.1
138.09245	18.5
141.10292	1.4
143.11917	2.5
145.02945	2.8
146.04631	2.2
154.01442	4.2
155.08267	9.0
166.08722	1.8
169.09810	11.8
177.10406	1.3
179.11899	3.1
180.05432	3.3
180.10339	1.4
187.10890	3.3
194.08244	1.1
195.11414	2.5
205.09775	4.8
211.14493	1.2
221.11568	1.0
223.10898	11.5
227.07133	1.9
231.13495	2.8
252.09937	2.1
255.10106	1.5
267.09860	100.0
268.10248	5.8
270.10959	1.6
288.89230	1.1
293.11398	2.4
311.12442	12.3
316.18710	2.3
383.19342	71.1
384.19583	5.8
410.19348	1.4
427.21951	39.3
428.22202	2.9
445.13483	2.4
445.23279	14.6
446.23392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.98805	0.7
69.77137	0.9
69.77490	0.7
78.95906	7.6
106.45577	0.4
107.28127	0.3
110.97828	0.5
110.98535	6.1
127.07748	0.3
152.99597	0.4
167.01164	4.6
185.02199	4.7
194.29651	0.4
204.96967	0.4
209.08177	0.5
277.21719	100.0
278.22055	7.1
445.23566	9.9
446.23807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94993	0.8
52.57090	0.8
53.78325	0.8
59.01365	1.7
64.60590	0.8
69.80069	2.2
78.95901	7.6
98.21898	1.0
109.31280	0.9
110.98534	6.0
121.02975	0.9
123.50797	1.2
134.42606	0.9
167.01161	2.8
185.02173	4.2
205.09531	0.8
209.08119	1.4
223.20668	0.8
277.21719	100.0
277.62277	0.9
278.22046	7.4
445.23453	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	446.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17506	0.5
59.01379	6.2
70.74947	0.8
71.01371	2.6
72.00907	9.6
72.99317	2.5
74.02476	18.2
75.00870	6.2
89.02456	4.1
101.00201	0.7
101.02460	1.5
103.00372	2.7
104.03539	100.0
105.01936	74.3
113.02436	1.3
119.03576	1.3
148.24567	0.6
179.05644	2.9
253.86783	0.6
341.10864	13.8
342.11374	0.8
439.02658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08081	4.0
59.01380	100.0
71.01380	53.4
71.66992	4.3
83.86926	4.0
85.02934	8.9
87.00867	7.1
89.02442	80.8
101.02428	37.8
103.00371	17.1
105.01925	31.7
106.02283	7.9
113.02444	26.8
119.03492	35.4
128.03510	7.9
133.02957	7.8
135.04594	4.5
143.03534	5.0
145.06192	6.6
161.02441	35.6
161.04543	18.0
177.01920	9.1
178.02257	8.4
179.03362	8.1
179.05580	25.6
191.84000	4.3
201.71747	4.8
223.13356	20.4
231.53743	4.3
235.08388	5.2
341.08920	10.4
385.18588	16.4
403.19745	36.1
404.19711	5.2
446.24399	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	446.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71557	12.2
59.01134	11.6
59.01378	100.0
61.98831	20.2
69.12464	71.0
71.01374	23.1
82.14382	10.9
89.02428	39.4
96.00883	13.4
97.16405	11.4
98.21792	21.1
101.02444	21.1
103.00376	41.2
105.01921	95.2
115.08530	11.3
125.54405	11.4
127.05108	20.1
130.06099	14.0
130.85883	13.2
151.73611	11.0
161.02423	55.1
171.07770	13.5
185.33995	11.0
214.75989	13.7
252.81693	11.3
341.08646	35.4
403.19577	14.3
446.21295	26.0
447.21402	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77713	0.5
59.01383	1.8
61.98829	100.0
62.97777	0.5
69.43925	2.7
71.82217	0.5
74.28311	0.5
78.95901	14.3
80.24642	0.5
96.96993	1.0
149.00092	6.9
152.99626	2.9
179.01149	1.1
205.16006	1.0
285.04196	1.4
327.05225	0.8
431.10257	1.0
446.20837	0.7
447.13480	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00238	0.2
58.79467	0.2
59.01378	1.6
61.98829	100.0
69.13563	0.4
69.13965	0.9
74.01184	0.2
76.11375	0.2
78.95890	1.9
95.23529	0.2
98.22704	0.4
116.07157	0.2
120.90804	0.2
143.07553	0.3
149.00116	0.4
152.99617	0.8
285.04001	0.5
313.23981	0.5
327.05231	0.4
412.30585	0.2
447.13565	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	446.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13955	9.9
60.08695	9.7
61.98825	30.4
66.65981	10.9
67.59525	9.6
68.06560	10.3
69.75180	32.8
88.13702	10.2
91.03992	23.3
96.96015	14.8
98.21924	21.2
99.92591	14.6
107.90453	10.2
140.11493	9.4
182.04887	11.8
211.13445	22.7
268.16568	10.9
311.22232	16.3
324.65668	11.0
329.23340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	17.1
60.67278	4.3
61.98822	20.9
69.51845	17.7
69.52191	7.7
79.95728	4.7
91.03994	21.5
92.15140	4.4
98.81498	4.1
104.19555	4.7
140.37006	5.6
170.79443	5.0
209.11780	4.9
211.13324	14.6
217.05365	4.5
229.14375	9.3
241.04796	5.5
246.32135	6.6
264.21265	4.7
284.03250	5.9
285.04074	30.0
311.22302	18.0
327.05136	16.9
329.23294	100.0
330.23566	13.5
357.06027	10.3
447.09311	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97658	0.1
59.01376	1.3
61.98826	1.3
63.02391	0.3
64.80650	0.1
65.00333	0.7
69.44322	0.5
71.01366	0.2
73.02953	0.2
75.00869	0.5
81.49461	0.1
83.01386	0.7
84.66567	0.1
86.19186	0.1
89.02444	0.2
89.52298	0.1
94.15852	0.1
94.83786	0.1
95.13460	0.1
107.01408	1.4
113.02409	0.2
119.03548	0.1
121.02962	0.3
132.02202	0.2
133.02945	7.7
149.02440	1.8
151.00371	5.0
152.00865	0.1
171.04501	0.2
175.03990	3.1
176.04413	0.2
185.06050	0.3
189.05528	0.2
197.06110	0.3
198.03229	0.3
199.04005	2.3
201.01884	0.7
203.80127	0.1
211.04002	0.2
213.05577	0.4
215.03499	0.4
217.05045	1.7
223.04059	0.2
229.05136	0.3
239.03470	0.2
241.05052	0.9
243.03081	0.6
256.03741	2.2
257.04587	0.6
267.02917	0.2
284.03265	3.4
285.04034	100.0
286.04358	5.8
297.03949	0.3
298.04779	0.2
327.05072	0.6
357.06204	0.3
367.86984	0.1
387.20013	0.3
447.09302	21.3
448.09689	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.4
61.98809	4.6
65.98142	2.2
69.32562	6.9
69.32970	5.3
71.01384	3.3
83.01406	2.2
86.53088	2.3
88.21458	2.4
101.02394	2.5
107.30326	2.4
116.38065	2.6
117.63239	2.1
124.53407	2.4
133.02950	24.0
141.24747	2.5
150.40656	2.6
163.00388	4.0
163.04042	4.1
175.03951	5.9
201.01984	3.0
201.96706	2.6
213.05576	3.5
267.12363	7.3
284.03329	17.9
285.03995	35.9
297.04074	32.8
298.04788	31.0
299.05606	20.4
311.05627	8.9
324.02765	3.9
327.05084	100.0
328.05447	5.4
339.05133	11.6
357.06137	83.0
358.06400	6.0
369.06198	5.3
429.08218	10.4
447.09317	80.2
447.18594	5.5
448.09772	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31718	0.2
54.93256	0.3
57.03446	0.3
59.01379	5.9
59.70711	0.2
61.98834	2.2
65.00319	0.6
68.73402	0.2
69.25819	1.0
69.74680	0.2
71.01374	1.1
73.02938	0.3
77.03967	0.6
79.01898	0.5
81.03467	0.4
83.01371	0.7
85.02934	0.4
89.02438	1.2
95.01369	0.3
97.02973	0.6
101.02436	1.0
105.03447	0.5
107.01391	0.6
109.02955	2.7
113.02460	0.5
119.03545	0.5
119.05058	1.3
121.02936	1.7
124.00027	0.2
125.02456	1.2
132.02174	0.2
133.02951	13.7
134.03633	0.5
135.04538	1.4
137.02455	0.6
145.02927	0.3
147.04536	1.2
148.01659	0.4
149.02437	1.5
151.00337	0.8
151.03998	0.5
157.74379	0.2
159.04514	0.3
161.02441	1.5
161.04541	0.4
163.00374	2.3
163.03999	3.4
164.01114	0.3
165.01918	2.0
173.02444	0.5
175.00366	0.3
175.03996	3.3
177.02016	1.3
179.03365	0.3
179.05577	0.3
185.06021	0.4
187.03943	0.3
189.02042	0.3
189.05505	0.4
191.03484	1.7
193.01443	1.5
197.06076	0.3
198.03284	0.3
199.03976	1.3
199.07814	0.3
201.01974	1.6
203.03465	0.5
205.01302	0.3
211.03955	0.9
212.04729	0.6
213.05553	1.0
215.03467	0.8
217.05080	0.4
225.05658	1.2
225.14926	0.3
226.06348	0.3
227.03505	0.8
227.07103	0.5
227.56978	0.2
229.01364	0.3
229.04993	0.6
231.06680	0.5
237.05586	0.4
239.03564	0.6
240.04254	0.9
241.05052	1.3
243.02878	0.3
243.06670	0.4
253.05011	1.5
254.05765	0.3
255.02983	1.2
255.06601	0.8
256.03763	0.6
257.04428	0.4
265.04996	0.3
267.06686	0.3
269.04526	1.2
270.05142	0.5
271.06091	0.5
279.03076	0.4
281.04538	0.4
284.03265	9.4
285.04022	8.5
285.13501	0.5
286.04425	0.5
297.04028	19.6
298.04745	11.5
299.05579	18.3
300.05862	1.1
309.04044	0.9
311.05582	3.6
312.06064	0.3
324.02695	0.8
325.03525	1.2
327.05078	100.0
328.05420	7.9
339.05072	3.8
340.05365	0.4
341.06439	1.1
351.04892	0.3
357.06125	32.3
358.06430	2.7
369.06116	3.7
370.06479	0.4
387.20139	0.5
393.06152	2.4
399.07312	0.6
411.07028	0.6
447.09308	20.5
448.09769	2.1
448.22198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
59.53748	0.4
61.72364	0.4
61.98830	6.8
63.02387	1.5
65.00328	0.5
68.39062	0.4
69.33412	1.3
70.30825	0.3
75.54100	0.4
83.01371	0.7
91.42391	0.5
97.98106	0.4
105.03412	0.4
107.01363	2.2
108.63092	0.4
109.02946	0.5
116.11774	0.4
121.02952	0.6
133.02942	4.2
134.03745	1.1
145.49144	0.4
148.01651	0.4
149.02461	1.0
151.00363	4.9
161.04485	0.9
175.04028	1.4
198.03131	0.6
199.03958	1.4
200.04781	0.8
201.02048	0.6
211.04044	0.9
213.05605	0.5
217.05017	0.7
227.03531	1.1
236.18341	0.4
239.03514	0.7
240.04256	0.5
241.04993	0.7
255.02972	1.4
256.03781	3.5
266.02194	0.5
283.02341	0.6
284.03250	57.8
285.04025	100.0
286.04367	5.8
297.04031	0.6
327.05087	2.4
357.06155	1.1
387.19971	0.5
447.09311	80.9
448.09644	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01379	1.5
61.98842	0.5
63.02407	0.2
65.00312	0.7
69.32978	0.4
71.01373	0.2
73.02970	0.1
75.00863	0.1
83.01393	0.5
99.04528	0.4
101.02479	0.2
103.67522	0.1
105.03491	0.1
107.01395	1.7
108.34296	0.1
113.09663	0.1
121.02983	0.3
122.13104	0.1
125.02432	0.2
130.66119	0.1
132.02203	0.1
133.02948	7.6
134.03297	0.2
139.04036	0.1
147.04575	0.2
149.02432	1.7
151.00362	5.0
152.00677	0.1
155.05096	0.1
161.04608	0.2
167.03581	0.1
169.06650	0.1
171.04530	0.3
175.03993	2.5
177.01915	0.1
185.06079	0.2
187.04030	0.1
188.91582	0.1
189.05528	0.2
197.06145	0.3
198.03217	0.3
199.04005	1.8
200.04399	0.1
201.01965	0.8
211.03862	0.1
212.04819	0.2
213.05463	0.5
215.03452	0.4
217.05057	1.2
223.03995	0.3
226.02705	0.1
229.05046	0.2
239.03366	0.2
240.04269	0.1
241.05061	1.1
242.02142	0.1
243.03128	0.7
256.03796	0.2
257.04514	0.3
267.03049	0.3
284.03271	1.8
285.04031	100.0
286.04370	6.4
297.04007	0.3
298.04639	0.1
299.05627	0.1
303.14572	0.1
327.05069	0.7
357.06076	0.2
357.09946	0.2
387.10754	0.2
387.19974	0.2
429.07947	0.3
447.09274	3.4
447.26086	0.3
448.09714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73546	0.2
52.00051	0.2
58.18811	0.2
59.01363	0.7
61.98840	1.0
63.02380	0.4
65.00310	0.3
69.65943	0.5
69.66327	0.4
83.01365	0.5
93.03444	0.2
107.01388	0.9
117.16408	0.2
125.02425	0.4
135.00887	0.3
151.00397	2.2
153.01918	0.4
159.04446	0.2
163.00385	0.4
165.01990	0.2
169.06555	0.3
174.03183	0.6
175.04024	0.3
178.99875	0.4
183.04547	1.0
185.06108	0.6
187.04004	0.7
199.03842	0.2
211.04004	1.4
212.04654	0.2
213.05525	0.4
227.03491	63.7
228.03867	3.4
229.05048	1.4
239.03459	0.5
241.05002	0.4
243.02863	0.4
255.02977	81.2
256.03580	10.7
257.04474	1.2
269.04562	0.4
284.03265	64.7
285.03995	26.3
286.04471	1.3
299.05679	0.4
327.04990	1.4
401.99277	0.2
447.09302	100.0
448.09662	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.9
62.96405	1.1
70.06010	0.5
70.06321	1.0
72.79655	0.4
76.22903	0.5
78.95903	37.4
96.96970	2.7
96.97550	0.5
148.38077	0.5
149.00081	17.1
152.99551	0.6
158.92557	1.5
163.70171	0.5
177.31087	0.5
179.01108	2.8
205.15991	1.6
255.79272	0.4
268.75278	0.5
284.03210	1.0
285.03888	2.2
347.07922	0.6
349.76465	0.6
417.12189	0.9
431.10275	1.8
447.13431	100.0
448.13773	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
60.97729	0.3
61.98830	0.4
62.96407	1.0
63.51958	0.3
70.16952	0.4
78.95902	38.8
96.96962	2.8
98.21921	0.3
99.31734	0.3
99.61153	0.3
120.97669	0.3
149.00087	18.3
158.92546	1.6
179.01151	2.6
205.15912	1.5
240.96802	0.3
267.11642	0.4
285.03949	0.3
299.08005	0.3
347.08243	0.4
417.12375	0.9
431.10193	2.6
432.10858	0.6
447.13419	100.0
448.13748	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	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41071	0.7
59.01384	1.9
64.53693	0.9
69.12048	5.5
71.01385	0.8
72.00925	1.4
72.99311	3.1
74.02470	2.0
75.00871	5.3
85.70560	0.9
87.00881	3.2
103.00366	1.1
104.03545	8.3
105.01933	100.0
116.74465	0.8
122.35631	0.8
133.01439	1.8
255.42406	0.8
342.11166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01377	100.0
60.01713	1.0
61.97135	0.4
61.98828	15.1
69.43889	2.1
71.01380	12.5
72.99306	0.8
73.02956	1.4
83.01429	0.6
85.02956	2.6
87.00895	0.6
89.02441	19.1
95.01379	0.8
101.02443	7.5
105.02016	0.5
113.02458	5.9
113.07220	0.6
119.03506	8.3
131.03514	1.0
143.03479	1.7
149.04646	0.7
161.04536	4.2
179.05612	8.8
179.07150	0.7
189.12782	0.7
216.97960	0.6
223.13460	0.7
269.10303	0.7
285.13483	2.3
387.20065	3.1
421.18015	0.5
447.09113	0.8
447.22794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29542	0.6
59.01379	100.0
60.01724	0.7
61.19424	0.6
64.06903	0.6
65.09606	0.5
68.03214	0.6
69.46217	0.6
70.59179	0.9
71.01379	5.7
85.02976	0.9
89.02443	8.7
95.01398	0.9
99.48608	0.5
101.01839	0.7
101.02432	3.1
106.79309	0.6
113.02458	2.2
119.03510	3.4
133.92467	0.6
179.05589	3.5
225.18941	0.6
374.74329	0.7
447.21698	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.7
61.98829	1.6
67.77154	0.4
69.19417	2.2
71.01382	7.1
73.02947	0.7
76.01840	0.4
85.02967	1.1
89.02448	7.6
95.01385	0.4
98.21793	0.7
101.02448	3.5
113.02441	2.9
119.03502	4.1
145.33131	0.4
146.03978	0.5
161.04561	3.9
179.05562	2.2
189.12933	1.8
197.35512	0.5
207.13884	0.4
210.80495	0.4
219.28496	0.5
387.20206	8.2
447.22583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12379	0.5
57.03436	3.2
59.01378	100.0
60.01713	0.8
61.98829	9.4
69.43509	1.3
69.43887	1.1
71.01380	12.5
73.02953	2.0
83.01426	1.0
85.02969	1.8
87.00887	1.6
89.02442	20.6
90.02780	0.6
95.01412	0.7
97.02967	0.7
99.04530	1.0
101.02448	8.3
109.02981	0.6
113.02448	6.7
119.03499	9.3
121.02995	0.9
123.04527	0.6
125.02444	1.8
128.45766	0.5
131.03490	1.2
133.02956	10.2
133.03888	0.9
135.04538	0.8
143.03505	2.9
149.02441	0.7
149.04526	1.1
159.02950	0.6
161.02455	1.2
161.04547	4.5
163.00407	1.8
163.04010	2.0
165.01929	0.8
175.04039	2.0
179.05614	9.6
183.75935	0.5
191.03525	0.7
193.01416	0.6
199.03958	1.0
201.01974	1.2
210.73303	0.5
212.04709	0.5
213.05533	0.9
225.05653	1.3
227.03401	0.7
229.05116	0.6
241.05130	0.7
243.02769	0.6
253.05066	0.7
255.03072	0.8
269.04688	1.1
284.03265	4.6
285.04056	8.8
285.13214	0.9
286.04568	0.6
294.02164	0.5
297.04025	14.2
298.04752	9.1
299.05554	10.8
300.05966	0.6
311.05609	3.2
324.02893	0.6
325.03442	0.7
327.05084	46.0
328.05264	2.6
339.05136	3.8
341.06589	1.7
357.06122	29.6
358.06592	2.2
365.06958	0.6
369.06235	1.4
387.20288	8.3
400.74857	0.6
429.08279	2.9
447.09296	23.8
447.22653	1.4
448.09494	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01377	100.0
60.01707	1.2
61.98830	13.3
65.00356	0.5
69.50363	1.9
71.01382	7.9
73.02949	0.9
75.00873	2.0
78.13403	0.4
79.59007	0.4
83.01396	0.6
85.02932	1.9
87.00844	0.5
89.02450	9.8
95.01397	0.5
99.00849	0.5
99.56406	0.5
101.02433	4.5
107.01394	1.2
108.70061	0.4
113.02449	3.2
119.03484	4.3
121.02947	0.5
125.02404	0.4
131.03571	0.7
133.02968	3.7
134.03726	0.5
143.03525	1.1
149.02454	0.7
149.04468	0.5
151.00360	1.8
161.04559	3.7
163.00407	0.6
164.07127	0.5
171.04567	0.5
171.63551	0.4
175.04050	0.6
179.05600	3.1
199.03963	0.8
200.04704	0.4
201.02113	0.4
207.13882	0.6
211.03943	0.5
227.03485	0.9
255.03026	0.5
256.03751	1.3
257.04227	0.6
284.03256	24.8
285.04022	41.6
286.04349	2.4
297.03937	2.3
298.04749	1.5
299.05597	2.0
327.05081	9.6
328.05588	0.6
339.05005	0.8
349.60739	0.5
357.06113	4.7
369.19177	0.6
387.20297	6.2
388.20886	0.5
414.94095	0.5
429.08521	0.5
447.09262	32.7
447.22168	1.8
448.09561	2.8
448.22006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03443	1.5
58.00599	1.1
59.01376	89.1
61.98824	3.4
63.70445	0.6
69.03458	1.2
70.62556	0.9
71.01379	60.1
72.19054	0.6
72.99317	1.3
73.02943	19.0
75.00871	1.5
83.01395	3.3
84.36414	0.6
85.02950	9.5
87.00873	2.0
89.02441	100.0
95.01384	2.0
97.02936	2.3
99.00877	21.7
99.04522	0.8
101.02439	42.1
111.00864	0.7
113.02450	16.1
113.03230	0.8
115.04004	1.0
119.03497	18.3
125.02438	4.2
130.23759	0.6
131.03496	15.8
133.02951	1.5
143.03513	4.1
149.04555	52.1
150.04962	1.1
161.04567	4.4
179.05624	6.7
191.05611	11.5
211.13390	1.2
221.06644	1.3
233.06624	0.7
251.07631	3.8
251.09807	0.6
284.03210	3.8
285.03970	9.7
286.04465	0.7
297.03970	1.5
298.04669	1.1
299.05569	1.1
311.05325	0.8
315.17929	1.9
327.05096	4.8
327.21402	1.4
357.06024	2.7
387.20169	0.7
447.09384	6.7
447.22189	26.1
448.09167	0.8
448.22610	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	16.6
60.32309	2.0
61.98811	3.1
70.63268	3.1
73.02936	7.2
123.08122	2.4
125.09701	8.3
127.11255	10.1
137.09740	2.7
143.10751	4.4
155.10800	8.8
171.10234	13.2
201.11241	6.3
263.20108	7.0
279.19482	5.3
281.21185	29.4
284.03030	3.6
285.03958	7.2
297.20782	13.7
299.22260	100.0
299.25662	5.2
300.22568	6.8
315.21585	18.3
325.20203	7.1
343.21252	93.4
344.21585	6.6
361.22256	64.6
362.22461	4.9
403.23355	81.6
404.23712	5.1
447.09171	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	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69266	0.3
59.01370	0.5
65.10490	0.3
70.66849	0.3
70.67198	0.3
78.95901	5.8
83.14111	0.3
86.54940	0.2
94.65401	0.3
110.98528	3.7
152.99561	0.5
167.01141	2.6
185.02167	3.8
208.97658	1.8
225.00728	4.4
243.01892	0.3
261.22305	0.3
279.23273	100.0
280.23645	7.3
360.58868	0.3
360.63928	0.3
362.18555	0.3
400.44357	0.3
447.25180	9.6
448.25583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01376	8.4
61.98535	0.9
61.98831	11.0
69.11569	2.4
69.11983	1.5
71.01362	2.1
72.00914	3.6
72.99274	0.7
73.02923	1.0
73.04061	2.3
74.02475	1.1
75.00862	1.7
78.42657	0.6
85.02946	1.2
87.00873	1.1
89.02420	2.1
91.05539	5.4
95.02500	1.1
98.24020	0.6
99.04490	0.8
101.02437	3.2
105.01897	1.1
107.01389	2.0
109.02936	0.6
113.02464	1.4
118.06687	0.8
119.03520	0.8
121.02946	1.0
125.02402	0.8
129.10345	35.2
130.08719	2.0
133.02968	7.7
134.03685	0.6
135.04497	0.6
139.08780	2.6
141.10349	1.8
143.11893	1.7
147.04526	11.4
149.02425	2.3
151.00375	4.7
151.08777	5.6
152.07230	1.0
155.08266	2.6
161.02417	0.6
161.04634	0.7
164.07166	32.8
165.07477	1.0
167.10599	0.8
168.11426	8.3
169.09795	5.0
175.03992	3.0
179.05583	0.8
186.12479	12.9
187.10976	0.6
193.01476	0.6
197.15443	1.7
199.04022	2.7
202.07512	1.7
207.45975	0.7
211.13400	1.1
217.05095	1.6
224.12762	2.4
233.16591	8.6
234.16930	0.6
241.14555	0.8
254.18643	0.7
255.02997	0.6
256.03720	1.9
256.20465	0.6
259.14566	1.2
267.12381	2.0
277.15555	2.0
279.62283	0.8
281.19809	19.0
284.03271	13.0
285.04041	100.0
286.04425	5.3
290.18771	2.3
297.04031	3.6
298.04745	1.7
299.05490	2.8
299.20676	0.9
311.05466	0.7
327.05026	12.5
328.05383	1.4
339.05081	1.1
357.06073	6.8
369.06161	0.7
387.20322	0.9
403.27075	3.5
429.08365	1.8
447.09311	30.4
447.26132	95.7
448.09726	2.7
448.26434	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	448.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
60.01683	0.3
61.98827	100.0
66.04710	0.3
70.20405	0.3
70.20716	0.4
70.61092	0.3
71.01385	0.4
84.25145	0.3
89.02442	0.4
107.45349	0.3
183.06686	0.3
190.02724	0.6
205.05080	0.8
207.45335	0.3
233.50111	0.3
239.10634	0.3
278.59601	0.3
342.98132	0.3
401.14520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54869	2.0
56.28855	2.1
58.06780	2.3
59.01374	16.8
61.98831	2.7
65.19826	2.0
70.67226	3.7
71.01382	3.3
72.00897	2.6
72.99311	4.7
73.02944	2.6
73.64432	2.4
74.99393	6.7
75.00877	9.0
78.95913	3.5
89.00945	5.4
90.64523	2.4
99.00890	5.9
100.98750	2.8
103.00364	2.8
105.01936	90.6
106.02276	14.0
106.72707	2.5
112.98814	3.8
117.00458	33.5
117.01954	4.6
125.82165	2.6
126.28719	2.6
126.98915	2.5
127.97481	2.8
129.01962	3.7
129.99956	5.1
130.08722	15.2
131.02008	43.2
134.04752	5.3
141.00446	5.3
142.99928	2.9
145.03581	8.0
153.64081	2.7
161.01213	2.4
167.53847	2.4
168.05167	8.9
170.06752	7.2
170.97885	5.8
175.02496	6.5
179.63850	2.7
181.26031	2.4
182.06715	3.1
183.01489	4.0
184.08350	2.5
186.06218	21.1
188.07793	90.3
188.09512	4.4
189.07971	5.1
200.07809	8.8
202.09357	62.9
203.09550	5.4
212.07764	5.7
214.09312	3.5
215.00584	3.8
227.00650	3.1
228.07307	4.7
230.08830	8.9
242.05141	12.9
243.73557	2.4
254.05147	13.4
257.01566	39.1
258.01706	2.7
270.08408	16.1
285.00891	4.8
286.07846	36.0
287.08072	3.3
298.07907	5.0
328.08865	100.0
329.09079	10.7
342.09286	3.6
356.08368	12.8
448.06918	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	448.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50787	0.2
57.03443	1.3
59.01381	5.7
59.62809	0.2
61.24953	0.2
61.98829	100.0
69.75133	0.6
71.01389	1.2
75.00879	0.3
85.02973	0.5
88.98836	0.3
89.02461	1.0
93.03473	0.3
96.00928	0.4
96.79607	0.2
98.02463	0.5
98.22565	0.4
99.04550	1.3
101.02437	1.1
110.02505	0.2
113.02470	0.4
113.03593	0.2
117.03462	0.5
119.03502	0.3
125.02452	1.2
126.18233	0.2
129.10345	0.5
133.02972	0.3
145.09845	0.3
147.04529	0.2
149.02386	0.3
164.07167	0.3
167.03557	0.3
192.00607	0.6
193.01431	0.7
219.60371	0.2
231.15157	0.2
284.03314	0.6
285.03857	2.3
286.04340	2.6
287.04910	0.3
298.04498	0.3
305.16013	0.4
328.05496	0.8
355.06683	0.4
358.06482	0.6
394.95715	0.2
412.19131	0.4
414.16849	0.9
431.19370	0.3
448.09613	3.8
448.26294	0.5
449.24603	1.0
457.11319	0.2
460.44385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13242	0.2
54.68692	0.2
57.03452	1.1
59.01380	5.3
60.01730	0.3
61.98831	100.0
64.79960	0.2
66.69111	0.2
69.41874	0.9
69.42249	0.4
71.01385	1.6
73.02941	0.4
85.02963	0.6
89.02455	1.0
98.21877	0.5
99.04504	1.2
100.04876	0.3
101.02456	1.2
113.02522	0.4
125.02465	0.9
133.03033	0.5
161.02498	0.3
161.04590	0.4
172.76279	0.2
186.41737	0.3
282.09360	0.3
282.72504	0.2
284.03375	0.5
285.03848	1.5
286.04422	1.8
297.04053	0.5
298.04459	1.8
304.14905	0.3
327.13553	0.4
328.05563	1.1
358.06668	0.5
388.20901	0.3
448.09662	2.3
448.27017	0.4
449.10278	0.4
449.24081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00737	0.2
59.01379	3.2
60.01710	0.4
61.98830	100.0
62.33114	0.2
71.01392	1.1
71.10020	0.2
71.27849	0.2
79.72971	0.2
85.02952	0.4
85.99977	0.2
88.04105	0.2
89.02468	0.7
89.48048	0.2
101.02464	0.7
101.47754	0.2
113.02451	0.4
119.03474	0.4
131.03468	0.2
131.04718	0.2
135.04518	0.2
137.02132	0.2
154.16856	0.2
161.04610	0.3
179.05727	0.3
207.72549	0.2
269.10471	0.2
329.06772	0.4
336.91412	0.2
381.88254	0.2
401.14685	0.4
402.15073	0.4
403.76273	0.2
448.22153	0.3
470.64633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01372	1.0
61.98828	100.0
83.01407	0.6
92.03509	0.2
93.66257	0.2
95.17873	0.3
101.04573	0.3
107.01464	0.2
121.02950	0.3
125.02440	7.7
149.02455	0.9
151.00372	1.5
152.01208	0.5
153.01941	0.6
158.20924	0.2
166.92075	0.3
177.05649	0.3
178.99835	1.4
179.03604	0.3
197.06038	0.4
201.05510	0.4
215.07144	0.6
225.05669	0.4
227.07195	1.2
259.06100	6.0
259.08588	0.4
269.04562	5.5
269.07437	0.4
287.05618	4.3
287.08694	0.3
342.05515	0.3
347.42929	0.3
348.97797	0.3
429.03519	0.3
449.10889	6.1
471.22531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01379	0.7
61.98828	100.0
65.00329	0.3
65.42840	0.2
69.38705	0.5
69.39094	0.6
82.18277	0.2
83.01395	0.5
107.01395	0.4
125.01527	0.3
125.02444	7.1
126.06139	0.2
144.31297	0.2
149.02470	0.7
151.00342	1.7
152.01173	0.4
153.01982	0.6
166.92133	0.3
173.06146	0.4
177.05620	0.3
178.99910	1.0
179.03513	0.5
201.05676	0.4
215.07213	0.4
219.33665	0.2
225.05690	0.6
227.07158	1.9
243.06749	0.7
259.06070	6.1
259.08557	0.3
265.29477	0.2
269.04523	6.3
269.07419	0.3
274.57895	0.2
287.05582	5.4
298.23483	0.3
298.97763	0.3
336.26404	0.2
449.10831	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
61.98827	100.0
63.02409	0.4
64.35127	0.3
65.00320	0.9
69.16051	1.2
71.02589	0.3
79.70677	0.3
83.01380	0.3
83.47504	0.2
89.02453	0.6
98.21852	0.6
101.02447	0.4
107.01377	1.2
109.02938	0.3
125.02473	0.3
125.13560	0.2
133.02931	0.7
135.04533	3.0
149.02362	0.3
151.00360	4.4
152.00764	0.3
163.18686	0.2
176.04366	0.3
182.50391	0.2
206.12659	0.3
224.99210	0.2
227.12929	0.5
256.03656	0.3
257.04053	0.8
284.03241	4.9
285.03787	16.7
286.04349	18.2
287.05606	3.8
287.14996	2.0
328.05414	0.6
338.16135	0.3
448.09631	17.4
449.09720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.4
61.98825	100.0
62.62244	5.0
64.20123	5.2
72.58730	5.3
78.95895	20.2
96.24029	5.4
152.99585	23.2
251.20117	11.2
319.54236	5.2
377.76575	6.5
382.11798	5.2
448.10056	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	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73438	0.8
52.84730	0.8
59.01374	1.8
61.98831	100.0
70.56718	0.8
78.95908	29.0
96.96032	1.3
96.96940	2.6
106.02402	0.8
152.17377	0.9
152.99588	37.0
153.99927	2.4
171.00677	1.2
210.54134	0.8
219.10190	0.9
250.85779	1.0
285.03680	1.4
286.04349	1.4
448.09567	1.7
448.15692	1.1
448.21735	1.8
449.23022	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03445	2.9
59.01380	9.0
61.98829	28.0
69.42253	1.8
71.01383	2.4
71.05027	1.1
72.01305	0.4
81.03455	14.5
83.01376	3.0
83.05061	0.4
85.02943	0.6
88.74658	0.5
89.02437	1.3
93.03452	1.5
95.05035	7.3
97.02946	4.5
99.04520	13.7
101.02427	1.7
107.05051	0.8
109.02937	0.8
111.04525	1.4
111.82799	0.4
113.02432	1.3
113.85080	0.5
117.03465	13.2
119.03447	0.5
121.02950	0.8
123.04529	6.5
125.02448	40.4
126.02745	0.9
135.04533	1.2
137.02432	6.3
139.04031	3.0
149.02451	0.9
149.04459	0.5
151.00404	0.6
151.03949	1.0
161.02440	2.5
163.03989	0.7
164.01112	0.8
165.01942	0.7
167.03494	100.0
168.03790	2.7
169.10101	0.4
177.01819	0.5
179.03462	3.2
192.00571	0.5
193.01369	1.1
197.04549	26.3
198.04890	1.0
209.04546	2.5
227.05678	0.8
227.12845	1.0
235.02437	5.1
251.05606	0.5
265.03448	1.0
269.06671	1.8
287.07813	6.2
287.14893	2.4
300.05350	0.5
329.06644	19.1
330.06961	1.4
356.90964	0.4
359.07669	5.1
389.21762	1.3
449.10770	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.9
59.01379	2.7
61.98829	100.0
62.98543	1.2
65.00322	2.4
66.75727	0.6
70.98345	0.7
81.03452	1.8
83.01376	5.0
86.68149	0.7
89.02454	0.8
93.03447	1.3
94.94221	0.6
97.02952	0.9
103.74068	0.6
105.39420	0.7
107.01383	4.7
107.05048	1.1
109.02984	1.2
121.02939	1.1
123.04539	1.2
125.02447	77.1
126.02821	1.6
133.02951	1.3
139.04034	2.1
149.02428	7.3
151.00368	16.6
152.01172	3.6
153.01962	6.5
157.06586	0.7
159.04590	0.8
163.00404	1.3
165.01939	1.5
167.03468	0.8
169.06612	1.1
172.85468	0.8
173.06129	3.7
175.04124	0.9
176.01181	1.2
177.05594	2.0
178.99849	11.6
179.03398	3.6
180.00609	0.9
181.06586	1.4
197.06075	1.8
199.07605	0.8
201.05609	2.9
213.05602	1.0
215.07100	4.3
225.05562	3.6
227.07138	5.9
241.05101	2.1
243.06740	4.6
255.39311	0.6
259.06097	55.8
260.06509	2.7
269.04547	53.5
270.04929	2.9
281.02133	0.8
283.06342	0.8
287.05609	43.8
288.05988	2.8
311.05496	1.2
342.06070	1.5
380.58566	0.7
424.56293	0.7
431.09637	0.9
449.10892	55.9
450.11081	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	449.1091
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.66257	0.2
57.03450	1.2
59.01079	0.3
59.01380	4.7
61.98832	2.2
63.02395	1.4
65.00324	8.6
66.00652	0.5
69.22417	0.7
69.22828	0.8
71.01388	1.5
74.85677	0.2
75.00883	0.3
81.70290	0.2
82.14806	0.2
83.01385	4.6
83.42635	0.3
85.02982	0.4
89.02463	1.6
96.96021	0.7
98.21883	0.6
99.04517	1.1
101.02455	0.8
107.01389	16.0
109.02956	1.4
113.02442	0.9
117.03458	0.3
119.03471	0.6
125.02456	5.0
134.03748	0.7
135.04523	65.8
136.01634	0.7
136.04857	1.6
137.02368	0.3
151.00368	100.0
152.00702	2.8
152.42697	0.3
159.04465	0.3
161.02428	1.2
161.04549	0.3
164.01189	1.1
165.01907	0.5
169.01425	0.9
177.01935	0.8
179.05650	0.5
181.04402	0.3
183.66893	0.2
199.04059	0.3
201.05682	0.3
216.92163	0.3
269.04501	0.5
286.04575	0.5
287.05603	72.0
288.05988	4.2
297.09802	1.3
329.05698	0.4
371.34891	0.2
429.12775	0.2
449.10828	27.8
450.11197	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	449.1091
Annotation	2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one
Peak:m/z	Relative Intensity
57.03448	16.3
59.01380	54.9
60.01719	1.4
61.01780	1.3
61.62549	0.6
61.98828	60.3
63.02398	1.4
65.00317	2.3
65.72148	0.6
69.53361	1.1
69.53745	1.6
69.64828	0.6
71.01381	10.5
71.61562	0.8
73.02934	3.2
73.04082	1.2
74.02473	0.8
75.00867	2.7
81.03451	2.7
83.01388	7.9
85.02949	4.0
87.00858	0.9
87.04531	0.8
87.05643	0.9
89.02438	7.5
93.03457	12.4
95.01389	1.0
95.05029	1.4
96.00925	1.9
97.02921	1.2
98.02467	2.0
98.12292	0.7
98.22613	1.5
99.00860	1.5
99.04519	11.0
101.02433	9.3
105.03463	2.1
107.01396	4.4
113.02444	4.4
113.03577	1.1
117.03468	64.6
117.29665	0.6
118.03822	1.4
119.03471	3.2
121.02966	5.1
123.04534	6.5
125.02443	100.0
126.02802	2.4
130.08734	2.3
135.04530	2.9
137.02501	0.7
139.04012	1.4
147.04503	1.2
149.02441	28.2
150.02740	1.2
151.00374	10.3
156.81404	0.6
161.02443	23.1
161.04457	3.3
162.02710	0.8
163.04018	0.8
164.07167	1.9
167.03496	19.9
169.01440	1.6
171.10304	1.2
179.03583	1.1
179.05544	1.5
185.11832	2.2
192.00673	4.0
193.01410	50.3
194.01816	1.7
195.10313	0.8
207.13864	0.9
209.11859	1.8
213.11324	1.2
217.11940	1.1
225.15108	1.2
227.12694	0.7
235.02530	3.1
251.12828	0.8
260.53549	0.7
269.04538	37.0
269.13937	9.9
270.04825	1.8
284.03183	1.5
284.75769	0.9
285.03860	4.3
286.03952	5.4
287.05371	14.5
287.14978	5.3
288.05634	0.9
305.16214	2.2
313.05695	3.5
327.05380	0.8
329.05655	1.1
355.06686	7.5
359.06702	0.9
388.21024	0.7
389.21994	3.6
397.24426	0.8
405.21484	1.9
413.14810	0.9
413.28000	1.1
414.16776	3.2
431.19202	1.6
449.10083	9.8
449.19922	7.5
449.25165	9.4
468.39517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1104
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
56.71358	0.4
57.03446	4.1
59.01379	33.3
61.98832	6.8
63.02394	1.4
65.00323	7.4
69.24228	2.7
71.01376	7.4
73.02958	0.9
83.01390	4.5
85.02960	1.8
87.00846	0.8
89.02448	8.4
92.18332	0.5
93.03479	0.5
94.34573	0.5
97.78386	0.5
99.04519	3.0
101.02454	4.5
101.64543	0.4
107.01391	17.5
108.01720	0.6
109.02964	1.4
113.02446	3.6
117.03483	0.9
119.03497	3.6
121.02966	0.9
124.05902	0.5
125.02444	5.9
130.08781	0.6
130.88980	0.4
131.03471	0.7
133.02956	3.4
134.03418	1.1
135.04526	58.4
136.04881	1.2
137.02457	1.7
143.03471	0.8
149.02448	3.2
149.04582	0.5
151.00371	100.0
152.00691	3.5
153.09151	0.7
159.03114	0.4
161.02472	1.1
161.04576	2.1
164.04739	2.2
165.01929	10.2
166.02174	0.5
169.01453	1.0
175.04022	1.1
176.04320	0.6
177.01910	0.9
179.03525	1.4
179.05650	3.3
179.07071	0.7
180.04294	6.3
193.01450	2.5
195.06616	7.4
199.03987	1.1
200.04375	0.5
208.03783	3.1
209.15453	1.0
210.05360	1.7
219.26009	0.5
223.06099	8.7
225.07668	6.0
243.06628	0.7
269.04587	1.8
285.04037	23.0
286.04370	20.1
287.05457	92.0
288.05966	4.8
305.16031	0.9
389.21747	6.7
447.37457	0.5
449.10754	17.8
450.11258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1103
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.53879	0.4
56.26447	0.3
57.03444	7.5
57.45218	0.3
59.01380	13.9
59.26473	0.3
61.98829	100.0
62.98537	1.3
63.02396	0.6
65.00323	5.0
69.42537	0.8
69.42930	0.8
71.01379	2.7
73.02965	1.3
82.65609	0.4
83.01363	2.6
85.02958	0.7
89.02440	2.1
99.04517	5.8
101.02453	3.2
107.00711	0.9
107.01393	8.7
107.02122	0.5
109.02966	2.5
110.65704	0.4
113.02481	1.3
114.15072	0.3
117.03471	0.4
119.03486	1.2
121.02957	0.5
123.04498	0.5
125.02442	7.0
131.01361	0.7
133.02972	1.1
134.03656	0.7
135.04521	42.9
136.04872	1.2
149.02451	0.9
151.00366	57.5
152.00708	2.3
153.00864	0.5
161.02443	0.9
164.60072	0.4
165.01907	0.9
165.12755	0.5
175.00365	3.6
175.03922	0.4
177.01897	0.4
179.05803	0.8
184.59885	0.3
193.01500	0.7
203.82652	0.5
209.11787	0.9
227.12871	1.8
251.13020	0.5
256.03622	0.6
257.04126	0.5
258.04269	0.4
263.41650	0.4
269.04608	1.0
269.14047	1.4
284.03253	5.0
285.03906	15.6
286.04105	18.8
287.05566	71.0
287.14868	5.7
288.05981	3.9
311.05655	0.7
313.05695	0.6
329.06195	0.5
449.09897	30.3
449.20416	1.7
450.10471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	33.4
59.01382	100.0
61.98833	54.1
69.43787	43.1
69.44214	21.1
71.01391	28.3
89.02483	57.1
99.04553	28.1
101.02451	33.0
101.75190	13.9
109.11449	12.9
119.05039	30.8
125.02428	33.9
131.01460	12.6
136.05750	13.7
151.00392	17.7
174.85336	12.9
178.92754	13.4
233.06635	25.9
269.14041	19.0
293.08841	98.8
324.53384	13.3
382.30832	12.6
391.37128	14.7
413.14542	17.5
449.11893	42.4
449.19681	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	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.0
61.98817	1.6
69.25776	1.4
69.26174	0.8
101.02462	0.5
116.95033	0.4
119.05054	0.4
125.02445	0.4
125.69398	0.4
138.18208	0.4
141.07115	0.6
143.05009	3.3
147.32191	0.4
157.06656	0.6
159.08139	0.9
162.51041	0.4
167.03487	0.9
181.06586	1.1
182.07199	0.5
182.97765	0.4
183.08168	1.0
185.06073	6.5
186.06203	0.4
216.75404	0.4
225.05573	11.8
226.06152	1.4
227.07138	100.0
228.07472	5.8
235.30148	0.4
319.51001	0.4
389.12460	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	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01385	2.5
62.96401	26.3
62.96951	2.0
69.74972	4.6
69.75298	2.3
71.82448	2.2
75.08714	2.0
78.95905	58.1
80.97468	35.2
89.03435	2.4
93.69672	2.0
98.22575	3.0
149.00082	16.9
192.95927	2.6
205.16020	6.9
242.60602	2.0
242.98259	5.4
253.32504	2.1
355.16879	19.6
356.17267	2.3
385.17853	21.8
449.08682	4.7
449.14981	100.0
450.15353	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	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.23342	1.1
52.04922	1.1
59.01364	3.0
61.98829	16.7
62.96409	23.1
63.99215	1.1
69.10970	7.9
78.95904	61.6
80.97467	36.2
84.11151	1.3
114.35394	1.2
122.97713	1.3
124.47688	1.1
133.01323	1.5
135.10741	1.4
137.17825	1.1
139.18062	1.1
149.00082	16.2
151.01813	1.2
152.99590	4.2
205.16002	7.1
205.17656	1.3
235.06047	1.4
242.98318	4.4
285.12610	1.9
355.16730	18.0
385.17853	19.6
386.17944	1.2
449.14941	100.0
450.15359	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	449.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36676	0.4
55.01871	1.3
57.03440	1.5
59.01379	17.8
61.98838	4.4
71.01382	10.1
72.99266	0.7
73.02951	3.3
78.16842	0.4
80.47699	0.4
83.00942	0.6
83.01379	3.0
85.02960	5.8
87.00877	1.5
89.02442	4.2
95.01365	1.4
95.03745	0.8
96.08190	0.9
96.96030	0.8
97.01682	1.3
97.02962	0.5
99.00877	1.3
101.02450	6.4
109.05320	0.7
111.00848	1.1
113.02451	4.3
113.09727	0.8
118.06628	1.1
119.03486	1.0
124.07687	22.7
125.02413	0.7
125.07970	0.5
127.11292	1.0
129.01956	0.5
134.06107	1.5
139.68839	0.4
150.05641	0.9
162.05618	4.1
163.06383	6.1
178.05118	1.6
194.04602	0.5
200.14491	0.7
241.21764	0.7
242.14124	0.7
243.15021	2.7
269.21112	3.0
285.20721	0.6
287.14023	45.4
287.22284	40.5
288.14368	2.6
288.22620	2.1
299.22443	0.6
301.15469	1.1
329.15088	7.2
329.23340	0.6
330.15311	0.6
431.26498	1.3
449.27539	100.0
450.27853	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	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01379	51.1
80.82234	11.9
89.02438	49.0
96.96052	16.1
101.02426	35.6
119.03506	13.3
123.04482	11.5
160.61417	11.6
161.02403	11.8
161.04492	12.2
179.05681	15.0
196.63066	12.7
213.18124	11.7
282.21457	12.1
344.45169	11.9
376.76614	12.8
390.09607	17.9
403.19574	32.7
414.13699	14.1
449.20343	60.8
450.20197	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77472	0.5
57.03447	8.7
59.01381	72.7
60.01704	0.6
60.28702	0.5
61.98830	6.6
63.06134	0.5
65.58803	0.5
71.01383	4.2
73.02945	3.1
76.81648	0.5
83.01379	3.5
85.02974	1.9
89.02444	3.6
95.01418	1.0
97.18283	0.6
99.04525	6.5
101.02434	4.9
113.02455	2.9
117.03477	1.7
119.03519	0.8
125.02448	29.7
126.02802	1.1
129.65076	0.5
143.03543	0.8
148.33583	0.5
159.98010	0.6
161.02460	0.9
161.04587	1.0
164.07225	0.7
165.12849	1.9
193.01431	0.9
195.80916	0.6
207.13924	4.0
209.11867	5.0
225.14975	6.1
227.12895	31.7
228.13222	2.0
251.12901	1.7
269.13943	10.0
287.15012	100.0
287.57358	0.6
288.15344	7.1
295.78360	0.6
305.16177	0.9
311.14938	1.3
329.05841	1.2
329.16049	4.0
359.06775	1.1
389.17703	1.2
389.22034	1.4
449.10480	1.4
449.20142	9.5
450.20572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	82.5
58.03794	1.2
59.01377	100.0
60.01710	0.9
61.98827	25.7
65.01018	1.0
67.89469	0.8
69.55530	3.3
70.80436	0.9
71.01005	1.7
71.01376	18.4
73.02949	9.1
73.04057	1.2
74.02500	2.0
74.75665	1.0
81.03440	1.9
83.01385	4.4
85.02951	5.1
89.02443	28.2
91.95544	0.9
95.01381	1.4
96.00915	1.6
96.08314	0.7
99.00877	2.7
99.04514	80.0
101.02441	31.3
103.05148	1.3
104.41405	0.8
109.01729	1.0
113.02456	8.8
113.03596	1.1
116.07156	0.9
119.03495	7.5
123.04532	2.9
125.02441	24.3
127.99672	0.8
128.03535	2.0
130.08725	1.6
131.03528	1.8
133.02962	1.4
134.12383	0.8
135.04489	1.2
143.03462	4.1
149.04591	5.5
161.04559	4.3
179.05627	5.9
193.01317	1.1
285.03778	1.5
286.03934	1.3
287.14633	1.3
289.06860	0.9
291.16757	1.0
298.04541	2.0
299.04840	2.5
300.05457	1.4
301.06186	2.5
305.15979	3.3
327.05008	3.8
328.05444	4.4
329.05664	13.5
330.06015	1.0
347.17206	5.0
358.06424	1.1
359.06885	4.2
389.21817	1.7
396.71191	1.6
414.16794	2.6
431.18753	1.3
449.10419	4.2
449.20309	8.6
449.24808	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.3
59.01376	57.4
61.98827	4.7
67.04367	0.4
71.01377	3.7
73.02927	2.3
77.41579	0.4
79.39816	0.4
83.01381	1.9
85.02950	1.4
89.02448	2.6
98.22648	0.8
99.04510	5.1
101.02435	3.1
109.06544	0.5
113.02447	2.9
117.03473	1.4
119.03515	0.7
125.02445	21.5
126.02818	0.7
143.03517	0.4
152.29585	0.5
161.02420	0.5
161.04527	1.0
165.12836	1.2
167.03522	0.5
179.05511	0.6
193.01308	0.6
207.13942	3.5
209.11841	5.1
225.14948	4.8
227.12878	27.8
228.13217	1.9
239.44522	0.5
251.12880	1.6
269.13959	7.5
270.14224	0.5
287.14999	100.0
288.15298	5.4
305.16068	1.3
311.14978	1.2
329.16058	2.7
341.37350	0.5
368.69897	0.5
389.18155	1.5
389.22333	0.8
431.19287	0.8
449.10458	1.3
449.20001	7.7
450.20853	1.0
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
50.35511	1.1
57.03447	2.6
59.01379	72.0
60.01689	1.2
61.41446	1.1
61.91624	1.2
61.98822	3.3
70.65819	1.5
71.01380	14.8
77.74023	0.9
85.02946	3.6
89.02435	15.2
96.28352	1.0
99.04504	9.0
101.02454	7.2
113.02448	4.4
119.03516	3.0
165.12851	3.3
168.40190	1.2
207.13910	7.7
209.11823	23.2
225.14890	6.6
251.12775	5.4
269.13931	100.0
270.14279	5.9
287.14648	1.4
317.15491	1.3
449.20197	74.0
450.20670	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27346	2.0
57.03434	3.7
57.63395	2.1
59.01379	88.5
61.98825	2.6
69.37601	2.2
70.92356	3.9
71.01392	19.5
82.16714	2.6
88.59802	2.0
89.02452	13.1
95.68854	2.3
99.04519	12.2
101.02450	10.8
113.02438	5.1
119.03500	3.6
125.02389	2.2
125.35189	2.3
152.33919	2.0
165.12811	4.5
207.13873	10.5
209.11841	26.7
225.14912	8.8
251.12903	5.6
255.80048	2.1
258.34143	2.1
269.13947	100.0
270.14154	3.9
449.20178	76.2
450.20477	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32132	1.1
59.01392	2.4
61.98831	9.8
70.67380	2.1
77.64934	1.3
78.95902	54.2
81.91275	1.1
83.98465	1.2
96.96971	4.8
152.99591	100.0
153.99985	2.1
171.00658	4.0
251.11380	1.2
292.70078	1.4
341.36365	1.3
449.23016	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
58.00598	0.6
58.64104	0.5
59.01380	100.0
60.01714	0.5
60.19082	0.5
61.98835	6.0
69.44138	1.0
69.44546	2.0
71.01385	20.3
73.02953	0.7
73.04077	0.7
75.00903	0.5
81.11025	0.5
83.01422	0.6
85.02961	2.8
87.00880	1.1
89.02445	34.4
90.02781	0.6
93.03484	0.7
95.01398	1.5
98.22654	1.0
101.02439	12.8
113.02457	9.8
113.03225	0.5
117.03467	0.8
119.03496	14.7
125.02465	1.4
130.06270	0.7
131.03545	1.6
143.03523	3.4
149.02478	0.6
149.04608	1.5
151.00398	0.8
153.09218	4.5
161.04582	3.7
169.12341	1.5
179.05617	12.9
180.65683	0.6
209.15466	4.4
227.12944	1.8
227.16623	0.7
325.61099	0.6
340.06061	0.7
389.21808	32.9
390.22052	3.0
405.72601	0.5
449.21307	1.6
449.27347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74043	0.6
56.16175	0.5
57.03437	4.4
59.01379	100.0
59.14685	0.6
60.01731	0.5
61.98829	12.4
63.02407	0.9
65.00324	7.2
69.57621	2.1
71.01383	20.8
72.99315	1.0
73.02954	1.6
74.02556	0.6
75.00864	1.1
83.01402	3.5
85.02948	3.9
87.00886	1.6
89.02443	28.2
93.03467	1.0
95.01413	1.6
98.45826	0.5
99.00903	0.7
99.04536	2.4
101.02438	12.2
107.01392	13.8
107.65031	0.5
109.02951	1.2
113.02447	9.1
117.03472	1.8
119.03506	11.8
121.02961	1.4
125.02452	5.7
129.10396	0.9
130.08755	1.8
131.03523	1.6
133.02963	3.0
134.03328	1.6
135.04523	51.2
136.04848	1.0
137.02441	2.7
143.03488	2.8
149.02469	5.7
149.04520	1.6
151.00371	71.4
152.00676	2.6
153.09198	3.6
157.60298	0.6
161.02419	0.9
161.04561	5.7
163.04022	0.8
164.04810	3.4
165.01933	18.1
167.03519	0.7
169.01358	1.3
179.02147	0.6
179.03514	2.5
179.05627	10.6
179.07124	0.9
180.04286	10.5
193.01411	4.4
194.05756	0.7
195.06633	12.2
196.07106	0.5
199.04068	0.9
200.71359	0.5
208.03810	4.3
209.15488	3.5
210.05307	2.8
223.06125	13.8
224.06465	0.9
225.05618	1.2
225.07639	8.4
227.16440	0.6
241.04977	1.1
243.06580	2.4
268.03156	0.6
269.04572	4.2
284.03204	0.8
285.04025	16.3
286.04352	16.9
287.05405	73.1
288.05777	4.4
305.16144	1.3
329.05667	0.7
389.21786	24.3
390.22131	1.6
401.12488	1.0
413.27768	2.6
431.09290	0.8
449.10803	14.3
449.23669	2.5
450.11151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
51.19664	0.3
53.07491	0.3
55.01861	1.2
57.03427	0.8
59.01377	12.0
61.98827	0.8
67.54221	0.3
70.47631	0.5
71.01381	8.7
72.99313	0.6
73.02949	2.9
83.01384	2.0
85.02934	4.4
86.00085	0.3
87.00892	1.4
89.02444	2.0
95.01424	0.6
99.00871	0.7
101.02431	4.9
111.00857	0.5
112.01641	0.4
113.02451	2.7
113.09722	0.8
119.03463	0.6
124.01608	0.3
124.07678	2.7
125.02454	0.4
127.11301	0.5
163.06366	0.7
209.62621	0.3
241.21725	0.9
242.63332	0.3
260.04739	0.3
269.21249	3.1
285.20645	0.6
287.14044	5.3
287.22266	35.0
288.22708	1.5
301.23578	0.3
329.15210	0.7
431.26593	2.1
449.27545	100.0
450.27924	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	450.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19116	0.5
57.03444	1.7
59.01374	5.1
61.98829	100.0
69.56477	2.2
71.01389	1.0
71.52985	0.5
73.02974	0.8
73.04093	0.6
75.00887	0.6
81.76435	0.5
85.02941	0.6
96.96018	1.0
99.04559	0.7
101.02448	1.3
113.02464	0.8
125.02467	0.9
130.08740	1.6
137.02483	0.7
374.17401	0.8
449.32135	2.7
450.18661	0.7
450.31885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01153	0.2
53.54034	0.3
59.01377	4.0
60.01702	0.7
61.01816	0.4
61.98827	100.0
62.97823	0.2
63.99272	0.2
66.91868	0.3
71.01385	0.9
71.07558	0.3
73.02948	0.4
73.04069	0.9
74.02483	0.7
81.03477	0.3
89.02454	0.5
99.04558	0.4
101.02454	0.5
104.03528	0.5
111.30815	0.2
125.02486	0.8
126.02731	0.4
128.03520	0.3
135.04544	0.3
167.03522	1.7
168.03870	1.1
180.06816	0.3
194.01743	0.4
222.39569	0.3
287.07657	0.4
330.07016	0.7
390.21854	0.4
421.21048	0.7
450.10718	0.3
450.25208	1.2
451.21982	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	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61454	0.1
57.03447	0.4
59.01380	2.7
60.01717	0.2
61.98831	100.0
62.99257	0.2
63.99257	0.2
69.16455	0.6
71.01391	1.0
73.02946	0.3
85.02973	0.3
89.02436	1.0
96.95971	0.2
97.02978	0.2
97.98192	0.1
99.00871	0.2
99.04516	0.3
101.02437	1.0
113.02442	0.3
119.03490	0.1
123.04547	0.2
125.02470	0.4
133.02980	0.5
134.03317	0.3
135.03600	0.2
149.04599	0.5
154.26651	0.1
157.08736	0.2
161.04625	0.2
167.03535	0.4
171.10306	0.3
191.05659	0.3
209.04630	0.2
229.14449	0.7
286.04337	0.2
287.04568	0.2
289.11948	0.2
298.04562	0.4
299.04990	0.4
300.05554	0.6
301.05994	0.4
302.06473	0.5
327.05142	0.4
328.05499	1.2
329.05685	1.0
330.05975	2.5
331.08234	0.4
358.06689	0.4
359.07053	0.3
360.07034	0.7
361.09415	0.2
389.20660	0.2
390.21924	0.4
450.10229	1.0
450.24539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.98828	100.0
62.98533	0.2
69.91518	0.2
69.91853	0.7
73.49335	0.2
81.03461	0.2
83.01387	0.2
87.00860	0.2
89.02448	0.4
98.22571	0.3
99.04503	0.3
101.02467	0.3
119.08438	0.2
125.02440	0.7
149.04594	0.3
152.91496	0.2
167.03528	0.7
209.04523	0.3
213.37021	0.2
216.02261	0.2
218.98882	0.2
226.15300	0.2
228.13243	0.3
246.73854	0.2
288.15268	0.4
330.05994	0.4
331.08380	0.8
340.04477	0.2
390.21408	0.5
450.23993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33354	1.9
59.01400	2.0
61.98832	5.9
69.60219	3.5
69.60543	4.0
78.95895	19.5
98.22563	3.7
114.87295	2.1
140.01178	5.4
196.03879	7.8
253.21724	100.0
254.22070	6.7
284.56027	2.1
291.27609	2.2
302.63992	2.5
450.26251	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20086	1.1
58.90591	1.1
61.30560	1.1
61.98822	3.7
66.48000	1.4
67.63419	1.1
70.35326	1.5
70.35661	1.4
78.95908	19.2
92.59023	1.1
98.22086	2.5
105.63555	1.1
117.59248	1.1
140.01172	5.9
142.87596	2.0
152.99570	1.2
184.66539	1.2
196.03783	8.3
214.04849	1.7
253.21732	100.0
254.22089	7.7
376.87918	1.2
450.26279	27.2
451.26590	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	451.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16254	12.6
59.01365	51.9
61.98833	100.0
69.66073	13.4
69.88431	24.9
71.01376	25.1
77.50788	13.2
83.33830	11.7
89.02457	42.7
99.00871	18.4
105.12462	14.3
119.05064	23.3
135.04544	69.6
145.31018	11.7
149.04543	34.9
313.87000	14.9
332.16263	12.8
360.94717	21.5
415.16074	76.9
451.13657	67.3
451.21838	25.3
452.21866	35.6
467.43481	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	451.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26138	0.5
54.56711	0.5
61.98818	1.8
68.88691	0.6
69.91040	1.4
69.91386	0.9
71.01382	12.1
78.95900	1.2
80.44922	0.5
84.93867	6.4
98.22562	1.0
98.95462	1.1
99.00862	1.5
99.92581	39.2
100.92673	2.3
100.93359	62.9
101.93366	2.3
115.92073	98.9
116.92157	4.2
116.92856	100.0
117.92852	3.5
117.93597	0.9
126.94935	2.6
132.92422	1.4
144.95975	1.7
154.94435	8.7
172.95464	71.6
173.95486	2.6
186.93410	0.6
202.61958	0.6
255.23318	4.9
277.21780	2.6
361.14926	0.7
377.14264	1.9
393.13770	0.8
433.11636	0.6
433.16721	3.2
434.17044	0.6
451.18039	8.4
451.24530	1.4
451.30554	0.8
452.18222	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	451.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33768	0.5
61.21795	0.5
61.98823	0.5
78.95905	1.0
83.93062	0.6
84.93867	1.0
99.00892	1.4
99.92587	10.8
100.93364	61.0
101.93371	2.3
115.92078	100.0
116.92088	3.9
116.92865	9.6
117.92870	0.6
132.92345	0.9
155.95300	0.6
168.99106	0.5
172.95467	7.5
255.23273	5.1
403.15863	0.6
433.16968	1.9
451.17896	4.4
451.24612	1.3
452.18204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64251	0.7
55.01869	2.7
57.03444	1.6
59.01377	21.1
61.98822	6.4
66.01454	0.7
70.92867	1.1
71.01379	24.8
73.02943	17.0
75.00831	0.7
79.46471	0.8
81.91354	0.8
83.01377	6.1
85.02948	13.7
87.00873	2.1
89.02432	7.2
95.01402	1.9
97.02940	1.6
99.00883	6.1
101.01782	1.6
101.02434	24.8
113.02445	9.4
115.04030	1.6
125.02390	2.0
131.03510	2.0
136.89604	0.9
137.35251	0.8
159.02950	1.6
160.84210	8.4
161.04579	5.4
161.84213	1.1
162.83920	25.2
164.83649	1.3
207.11572	0.8
211.93382	1.9
275.14987	10.7
277.90295	1.1
325.57855	0.7
407.19232	3.2
413.93585	1.1
414.93839	1.6
415.93375	2.6
451.18155	100.0
452.18448	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	91.0
59.01378	100.0
60.01730	1.8
61.98830	17.0
69.25372	8.1
70.38305	1.3
71.01377	17.4
73.02933	7.9
73.18807	1.2
73.90991	1.1
75.00864	3.4
77.52551	1.3
79.95726	2.5
83.01370	5.3
85.02950	13.2
85.54347	1.3
87.05605	1.6
88.98809	1.3
89.02453	5.3
95.01398	2.1
96.96014	13.1
99.00910	2.0
99.04517	90.9
101.02437	37.7
113.02458	9.4
125.02449	31.0
143.03500	4.3
161.04558	6.5
229.14441	1.4
253.14478	2.9
271.16739	1.4
289.12067	2.3
307.17618	25.3
308.17810	1.9
349.18677	5.5
389.42331	1.9
391.23083	2.5
451.09842	2.6
451.16443	7.8
451.21228	7.6
452.23016	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	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
57.03447	80.8
58.03769	1.3
59.01379	100.0
60.01736	1.4
61.98827	21.1
71.01382	24.9
73.02946	10.6
75.00867	1.6
76.44168	1.1
81.77310	1.2
83.01386	5.3
85.02945	11.8
89.02448	13.7
95.01390	2.0
96.96005	4.8
99.00881	4.4
99.04518	74.2
101.02441	39.0
113.02460	8.6
117.01950	4.8
119.03499	4.0
120.99649	1.8
125.02447	30.2
143.03500	4.2
157.06526	3.4
161.04573	11.7
174.19975	1.3
179.05664	2.2
289.16519	3.5
305.96176	1.3
307.17615	29.6
308.17807	1.7
349.18643	4.8
351.20267	4.9
364.79999	1.5
388.19159	1.7
415.19513	1.9
451.22562	6.7
451.28015	7.1
452.22382	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	451.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.5
57.03452	6.3
59.01377	58.4
61.98828	14.3
65.40205	0.9
69.03455	2.0
71.01380	100.0
72.01713	1.5
72.99294	1.8
73.02947	37.0
75.00860	3.5
81.03461	1.8
83.01389	14.4
84.02158	1.1
85.02946	46.7
85.72525	0.8
87.00871	3.9
89.02441	24.8
90.02763	1.2
93.40218	0.9
95.01367	7.3
96.96010	10.9
97.02949	3.9
97.61322	0.8
99.00880	11.8
101.02440	83.9
102.02806	1.4
109.27610	0.8
111.00877	1.5
113.02450	45.4
119.03495	9.3
125.02454	5.1
127.11306	1.0
128.03496	0.8
129.01962	2.0
131.03539	1.0
139.46672	1.3
143.03514	8.3
149.04512	1.4
159.02989	8.5
161.04555	50.8
162.04872	1.0
179.05634	4.3
221.06592	2.9
245.06566	1.9
263.07739	3.0
282.75082	0.9
289.16580	35.7
289.19867	1.8
290.16916	1.8
323.09924	2.0
413.27811	1.0
415.16226	1.0
451.07178	2.4
451.21811	52.7
452.22318	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	451.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03449	81.1
59.01380	100.0
60.97984	1.5
61.98832	11.9
71.01384	33.4
73.02948	14.4
75.00858	2.5
78.73433	1.3
83.01387	6.1
85.02951	16.2
87.00875	2.8
89.02458	14.5
92.61867	1.4
93.55508	1.4
95.01396	2.4
96.96010	2.6
97.02920	3.1
99.00888	4.5
99.04520	77.9
101.02441	37.8
113.02445	15.5
113.03571	2.2
117.01960	3.6
119.03510	3.8
125.02454	35.1
130.08705	1.5
131.03528	1.4
143.03525	2.0
157.06564	1.8
161.04565	12.8
164.07158	1.4
179.05612	1.7
197.42618	1.4
208.42174	1.6
215.12804	1.9
277.16354	2.1
288.32886	1.5
289.16428	2.3
293.08844	2.1
307.17627	31.7
311.10672	1.5
349.18637	8.9
351.20383	4.1
375.17365	4.5
389.83844	1.6
409.20804	2.9
415.23438	1.6
451.21875	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	451.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	51.5
61.98834	66.1
62.86183	31.5
68.25677	30.0
72.46027	36.4
72.60706	31.4
84.22723	29.9
125.87331	72.2
130.00438	31.9
132.59229	34.7
161.80168	33.7
187.85368	34.4
213.91301	31.2
275.01450	100.0
326.99222	36.3
329.11670	33.5
386.55927	41.8
415.09695	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.0
59.01379	100.0
61.98829	25.8
69.17965	1.1
69.18250	4.0
71.01380	16.2
72.01695	0.7
73.02953	3.3
75.00890	1.2
83.01398	1.9
85.02940	5.2
87.00888	0.8
89.02450	10.9
89.02995	0.6
95.01402	1.1
99.00906	2.4
99.04525	1.4
100.25522	0.7
101.02438	14.0
102.38896	0.6
102.73177	0.6
103.03996	1.8
105.79546	0.6
113.02452	7.7
119.03521	4.8
125.02455	1.5
135.04553	1.0
136.19810	0.6
143.03520	1.0
144.07886	0.6
159.02989	1.1
161.04553	7.9
167.03574	0.8
179.05605	2.9
190.99854	1.5
229.14540	1.3
229.18108	1.5
253.14401	0.9
289.16779	0.8
319.17627	0.8
326.46106	0.6
391.23376	41.4
392.23840	2.7
451.21985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	0.3
59.88034	0.0
69.20580	0.2
70.02972	0.1
72.04543	0.1
80.05054	0.3
81.03453	9.0
82.03788	0.1
82.06609	0.7
83.05022	26.3
84.04543	0.1
84.05347	0.5
96.04572	0.0
100.07653	0.3
107.06144	0.9
108.04555	1.0
122.27197	0.0
125.07204	3.2
126.05598	0.5
126.07505	0.1
141.10364	0.1
143.08252	1.5
145.30502	0.0
152.10883	0.0
157.13429	0.1
166.12395	0.1
181.17050	0.1
183.14978	0.2
189.13950	0.0
189.27515	0.0
190.18333	0.0
199.18163	0.1
207.15013	3.2
208.13409	0.2
208.15355	0.2
222.16083	0.1
224.17664	4.7
225.16064	12.6
226.16434	0.6
240.17108	0.0
242.18726	1.5
250.15596	0.3
268.16498	0.2
290.22464	0.3
291.20737	0.1
292.20413	0.1
306.22092	0.2
307.24066	0.3
308.23712	0.1
309.21710	0.5
310.22403	0.1
324.26529	1.9
325.26788	0.2
333.22943	4.3
334.23724	0.3
339.27466	0.3
341.29190	0.1
350.24722	0.1
351.24017	1.1
352.24771	0.1
367.27100	1.3
368.27545	0.1
383.30331	0.1
385.28021	0.3
406.30573	0.1
433.31796	5.9
434.32196	0.6
451.32843	100.0
452.33157	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	452.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26933	0.3
61.98830	100.0
68.20158	0.2
92.71723	0.2
98.22626	1.0
179.33794	0.3
180.25232	0.2
297.65002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
59.39245	0.4
61.98830	100.0
66.91913	0.5
69.16000	2.5
71.01396	2.1
73.62572	0.4
75.91393	0.4
85.00362	0.3
85.02965	0.8
89.02473	0.8
91.37121	0.4
98.21879	0.9
101.02470	1.7
111.08156	0.6
113.02457	1.3
161.04504	0.5
165.12845	4.7
183.13890	15.7
209.11813	0.5
211.92345	0.4
227.12891	35.3
228.13254	1.7
251.12875	0.8
269.14014	0.6
293.30069	0.4
389.18179	5.2
390.18350	0.4
452.22076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01993	0.1
57.09990	0.2
57.76551	0.2
61.98833	0.3
66.77644	0.2
68.98376	0.2
69.66525	0.2
69.66852	0.5
78.95903	4.7
83.17644	0.2
92.92068	0.2
96.94714	0.2
98.22557	0.4
113.13066	0.2
140.01176	1.8
152.99542	0.4
161.85086	0.2
166.80617	0.2
184.06485	0.2
196.03799	1.1
214.04863	2.4
232.97025	0.2
237.22188	0.4
252.98659	0.2
255.23273	100.0
256.23618	6.4
281.99908	0.2
393.19476	1.0
452.27744	10.2
453.28049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43025	0.5
71.04045	0.6
78.95900	15.1
89.09023	0.5
97.64725	0.5
122.00090	0.7
140.01167	3.7
152.99585	1.5
175.59935	0.5
196.03786	8.9
214.04880	1.8
216.92575	0.5
255.23283	100.0
256.23563	6.0
273.85645	0.5
434.94174	0.5
452.27795	30.0
453.28094	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	453.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18037	0.7
59.01380	18.1
68.65691	0.8
71.01366	7.1
73.02919	0.9
73.64615	0.7
78.95888	0.8
85.02938	1.6
88.04052	1.0
89.02432	7.0
101.02427	4.5
105.03526	0.9
113.02454	2.6
119.03486	2.5
123.41017	0.8
128.03574	1.4
133.02972	4.0
135.04529	1.2
137.00656	3.5
153.87030	0.8
160.01640	7.3
161.02441	5.0
161.18442	0.7
165.00143	8.9
166.00552	0.8
167.01685	1.8
179.03481	1.5
192.99625	100.0
194.00027	4.7
231.11314	1.2
247.08417	0.9
274.99930	1.0
290.96915	0.9
341.08798	1.1
373.05960	37.1
374.06100	3.0
393.99991	1.9
410.95914	0.9
453.01636	15.7
453.19357	1.9
454.02231	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	453.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23033	0.4
57.03431	0.4
59.01375	6.5
61.98830	10.9
64.10794	0.3
69.21220	2.0
71.01380	3.1
71.92018	0.4
76.59890	0.4
76.92443	0.3
85.02941	0.8
89.02444	1.8
96.96003	1.4
98.21860	0.8
98.95612	1.4
99.04520	3.4
101.02444	1.4
119.03495	0.6
120.99651	100.0
121.99968	1.4
127.05102	0.4
130.08730	1.0
161.04614	0.5
196.25781	0.4
245.55829	0.3
273.11655	0.9
365.30209	0.4
453.07739	0.7
453.17929	0.7
453.27353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01377	4.4
61.98828	13.4
69.12360	1.6
71.01379	2.4
73.02952	0.4
75.36314	0.2
79.95734	0.3
85.02962	0.7
89.02447	1.5
95.01405	0.3
95.95240	0.4
96.96010	3.7
98.02480	0.9
98.22595	0.6
99.04587	0.3
101.02432	0.9
102.98568	0.7
113.02449	0.7
114.05625	1.4
119.03505	0.6
120.99654	100.0
122.00013	1.3
129.10335	0.6
130.08745	1.3
152.84999	0.2
176.62978	0.2
211.13371	0.3
247.10129	0.4
253.14630	0.3
273.11649	1.2
283.05029	0.9
291.09085	3.2
321.19153	0.4
436.24313	1.3
453.08136	0.5
453.13910	3.4
453.19995	0.3
453.30865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30328	5.1
57.03440	13.4
59.01375	61.8
61.98831	100.0
69.11173	4.3
71.01388	57.0
72.01719	11.1
72.20000	4.6
73.02955	17.8
75.70992	5.8
78.95878	6.9
79.64602	6.3
79.95789	5.8
82.95422	9.9
83.01382	11.2
85.02950	23.3
87.00886	6.4
89.02448	18.3
89.47517	5.9
95.01388	5.4
96.96014	19.6
99.00914	5.9
99.04535	14.9
101.02433	39.9
102.02763	11.9
113.02453	16.6
114.05607	10.3
115.33166	4.9
120.99669	37.0
123.08145	5.5
125.02477	10.6
130.08749	10.3
143.03500	5.6
152.99591	7.0
161.04543	17.2
162.04907	6.0
163.05054	7.2
175.48074	5.9
255.16020	18.5
287.85126	5.7
289.16608	7.3
291.17151	13.2
453.22433	26.2
453.30777	11.1
454.22369	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	453.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46087	0.7
61.98831	1.6
70.36898	1.7
70.37232	1.0
70.51882	0.7
71.01378	12.4
84.93859	4.6
85.24777	0.7
99.92582	32.8
99.93246	1.7
100.93357	51.2
101.93384	2.2
115.92073	96.0
116.92857	100.0
117.92847	4.2
117.93631	1.5
126.94936	1.7
137.48677	0.7
144.95979	1.3
154.94411	7.5
163.98975	0.9
172.95462	49.6
173.95470	2.0
176.24483	0.8
279.23138	4.7
395.15125	1.3
435.18521	1.3
453.19525	8.7
454.19601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91119	0.4
65.56624	0.5
70.58775	1.2
84.93835	0.9
99.00903	1.0
99.92581	5.7
100.93362	39.4
101.93403	1.3
106.15163	0.5
112.04984	0.5
115.92075	100.0
116.92081	3.1
116.92867	7.9
132.92386	1.2
140.42989	0.5
142.94444	0.6
171.75296	0.5
172.95483	9.4
279.23309	1.5
296.89050	0.5
379.15759	0.9
405.17590	1.2
435.18396	2.5
453.19434	6.9
454.19785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1968
Annotation	Ambiguine F isonitrile
Peak:m/z	Relative Intensity
54.55890	1.8
55.01881	3.5
57.03458	3.9
59.01382	23.6
61.98532	1.7
61.98830	6.1
69.30038	9.4
70.13509	1.8
71.01381	23.1
73.02939	14.1
83.01379	5.1
85.02953	11.8
89.02449	8.7
96.00922	2.7
96.96008	4.2
97.02924	2.0
98.20752	1.9
99.00867	4.2
101.02445	28.2
113.02457	14.4
122.59724	2.5
125.93318	1.8
141.38329	1.9
152.43048	1.9
155.10767	3.7
158.96642	1.6
159.02892	2.5
161.04561	13.3
171.10251	3.0
173.23541	1.6
177.42690	1.6
187.95401	1.9
217.10794	4.5
261.13348	24.2
322.08612	1.8
393.17639	100.0
394.17990	6.9
453.19675	32.5
454.19937	2.9
469.55112	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	453.1973
Annotation	Ambiguine F isonitrile
Peak:m/z	Relative Intensity
50.71027	1.4
59.01376	27.6
61.98811	9.1
70.92995	2.2
71.01372	19.8
71.56608	1.3
73.02941	9.8
83.01352	1.7
85.02948	2.9
89.02441	30.7
96.96001	6.3
99.00881	22.1
101.02450	10.4
108.97219	1.2
113.02417	3.4
119.03481	2.6
131.03503	2.9
135.04501	3.5
141.09177	3.0
143.94751	1.3
145.87465	1.4
149.04497	3.3
159.10275	4.1
191.05571	5.3
223.47530	1.3
321.15631	3.5
400.93799	1.6
453.19699	100.0
454.19955	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38658	0.5
61.98828	100.0
71.17847	0.5
94.35641	0.4
125.57487	0.4
151.74042	0.4
154.32462	0.5
184.24188	0.4
185.41260	0.4
245.72243	0.4
286.82706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04250	0.5
61.98828	100.0
71.18845	0.5
81.81934	0.5
114.96642	0.6
121.02997	0.8
122.03315	0.6
127.95371	0.5
215.30972	0.7
248.19907	0.5
356.02075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0975
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
52.31170	0.3
59.01372	1.4
70.76811	0.6
71.01390	0.8
78.95902	82.3
88.61260	0.3
89.02482	0.3
96.96960	100.0
99.00903	0.4
113.07233	0.7
114.05579	0.8
116.92867	0.6
125.17141	0.4
127.05099	0.4
127.62701	0.4
128.03499	0.9
130.08707	0.7
133.02956	0.8
135.04517	0.4
138.98029	3.6
144.08221	0.3
169.07703	0.5
174.67186	0.3
184.08788	0.6
198.06714	1.7
199.00128	10.4
212.08281	4.7
213.01688	9.7
227.13934	0.4
241.07260	4.4
242.07861	0.3
243.08897	0.6
255.08887	5.9
256.09073	0.3
293.16266	0.4
437.07996	0.4
454.27469	0.4
455.09738	29.6
455.25552	1.1
456.10062	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	455.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89501	2.3
59.01377	49.1
71.01384	33.4
73.02943	20.1
84.85818	2.3
89.02447	66.6
99.00883	37.8
101.02431	16.8
113.02464	3.1
125.02424	4.1
131.03487	9.5
149.04561	23.7
161.04541	2.2
164.60898	2.9
169.04269	2.4
191.05592	9.0
210.23221	2.4
251.61699	2.5
414.80124	2.5
449.76910	2.8
455.11334	5.1
455.17676	100.0
456.18008	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	455.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15772	0.6
54.17931	0.6
58.11198	0.6
58.29581	0.7
59.01379	46.2
71.01380	30.6
71.03699	1.1
72.99312	1.0
73.02946	18.9
77.21691	0.6
85.02964	1.9
87.75538	0.5
89.02444	60.6
97.02927	0.8
99.00882	34.4
101.02446	17.4
113.02473	3.3
119.03510	1.5
125.02464	2.6
131.03505	7.1
149.04565	20.9
150.04965	0.9
161.04536	1.4
161.08116	0.9
191.05629	11.6
221.06670	1.0
251.07848	0.8
261.11166	0.6
333.41022	0.7
381.77695	0.6
455.17709	100.0
456.17944	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	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.8
59.01378	100.0
61.98830	4.3
71.01375	8.6
73.02950	2.6
78.91886	5.5
78.95928	0.9
82.28160	0.7
83.01388	1.4
85.02967	3.3
89.02438	1.8
95.01394	1.1
96.95993	1.1
99.00884	0.8
101.02441	5.9
113.02436	4.2
125.02391	0.7
130.08769	0.9
137.09740	1.6
159.03044	1.8
161.04558	15.1
163.07674	2.4
193.46831	0.8
214.55762	0.8
215.14636	0.7
217.12390	1.5
233.15450	16.3
233.17615	1.1
375.22598	0.8
395.20581	1.6
446.07755	0.8
455.23413	1.1
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
55.01855	0.8
57.03455	1.5
59.01379	37.1
61.98821	0.9
70.92508	0.9
71.01378	18.1
83.01361	1.4
85.02943	5.4
89.02448	15.3
95.01382	1.6
101.02447	8.7
101.38751	0.8
104.58318	0.8
113.02458	5.7
119.03524	4.6
209.15477	0.9
223.13425	2.0
275.20148	4.3
293.21216	21.4
294.21628	1.4
367.25769	0.9
415.73520	1.0
455.26474	100.0
456.26840	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	455.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51997	27.3
62.82975	23.6
70.84087	48.0
87.23688	23.6
112.58080	23.9
138.40057	22.6
140.10872	21.7
176.11717	25.9
224.16554	100.0
259.47128	24.2
403.43158	23.7
437.82800	25.9
467.87753	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16570	0.3
57.03447	0.4
59.01369	3.1
61.98828	100.0
69.69219	1.6
71.01392	1.3
73.02978	0.4
74.02445	0.5
82.03018	0.4
88.04063	0.4
89.02458	1.1
96.96016	0.8
99.04472	0.4
101.02458	0.8
128.03580	0.6
129.10399	0.5
130.08739	1.6
140.29021	0.4
155.08328	0.5
158.09215	0.4
159.79454	0.4
166.06221	0.5
207.81836	0.4
226.15598	0.6
267.12473	0.6
273.33762	0.4
354.07175	0.7
423.30231	0.4
456.10236	0.8
456.22513	0.7
456.28244	3.2
457.17834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01915	0.5
59.01379	3.7
62.89325	0.5
64.81905	0.4
68.92884	0.5
68.99557	0.5
69.40334	2.2
75.24356	0.4
78.95899	0.6
80.55872	0.4
89.02455	1.3
98.22643	0.6
99.00894	0.6
100.06073	0.5
101.02469	0.7
104.70995	0.4
107.03623	2.9
108.02033	4.1
112.98518	1.0
126.03078	3.2
130.08739	5.1
131.08264	16.4
133.01561	18.7
150.04213	100.0
151.04497	1.4
156.07785	0.5
163.03996	1.0
173.02884	0.7
173.10442	10.5
196.05730	0.9
201.02562	3.8
238.06723	1.8
243.08307	1.1
252.47842	0.5
277.08456	0.5
282.08423	79.7
283.08679	3.5
309.14194	6.0
326.16754	3.2
429.87814	0.5
456.18134	1.9
457.26608	0.8
469.11005	0.5
469.28107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27782	0.4
59.01377	1.8
70.62022	0.5
71.01379	30.3
89.02442	1.9
98.22622	0.5
107.93303	0.5
115.00372	100.0
116.00655	1.1
116.07182	0.6
119.03517	0.5
125.10828	0.5
151.70314	0.5
179.05740	0.8
215.22353	0.4
341.10852	7.2
368.48309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	85.2
59.13555	4.1
66.27050	4.2
69.03418	5.9
69.62779	8.6
69.63137	8.3
70.36967	4.1
71.01380	55.1
73.02940	10.8
81.03464	4.1
83.01375	4.3
85.02942	10.2
89.02440	100.0
97.02946	12.8
99.00862	21.2
99.08133	6.3
101.02448	7.0
113.02431	8.3
115.04044	8.2
123.04530	6.7
125.02443	48.5
126.97704	3.6
127.07611	6.4
131.03505	8.4
137.85902	3.1
144.87234	4.5
148.05298	54.3
149.04509	14.6
153.05542	5.7
163.07635	17.0
165.72575	4.2
174.99220	7.0
176.66687	3.5
191.05426	5.2
205.61043	4.7
217.00266	13.1
233.06656	36.9
292.92007	6.2
293.08853	31.3
374.99060	8.5
378.67093	4.4
408.03000	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	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28573	1.1
50.90483	1.4
58.98921	1.2
60.25421	1.3
62.00933	1.3
68.23058	1.2
70.63128	1.2
71.01370	13.9
74.08210	1.5
84.93874	4.8
99.92584	26.6
100.93362	47.7
101.93414	1.7
115.92075	92.1
116.92860	100.0
117.92913	3.1
123.00235	1.5
126.94901	2.2
135.59236	1.4
144.95966	1.9
154.94392	7.3
155.51384	1.6
172.95462	44.6
186.73505	1.4
276.85834	1.5
283.26382	6.5
372.20685	1.5
383.19345	1.7
438.01013	1.7
457.22629	11.7
460.92953	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	457.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69519	1.0
59.01368	6.7
69.25827	4.6
71.01385	1.2
72.99312	1.4
74.99360	1.1
82.78773	0.8
83.06142	1.9
83.91565	0.8
87.00866	0.9
88.04034	1.4
89.02457	0.9
110.80740	0.8
112.08867	1.1
112.98580	1.1
114.05652	1.1
115.00340	0.9
115.03999	2.1
129.99962	1.2
130.08734	61.2
131.08263	19.6
131.09093	1.2
132.01556	1.1
133.01538	3.6
150.04213	15.5
151.04703	4.6
163.03984	1.7
170.06671	1.2
172.01021	1.7
173.10458	4.5
186.06203	1.3
188.07793	4.5
196.05785	7.7
197.06062	1.3
197.07764	5.9
201.02538	6.7
210.07417	1.2
212.08871	3.0
238.06831	3.1
241.06699	1.7
242.08952	2.3
243.08336	21.5
244.08463	1.1
254.13600	1.6
255.09605	0.9
256.10367	1.1
261.12082	1.7
263.09976	2.3
277.11551	1.3
279.13132	1.7
279.94604	0.8
282.08405	7.2
282.13232	1.2
283.08759	9.3
285.12952	1.1
302.15689	8.5
309.14175	100.0
310.14343	7.7
326.16800	83.3
327.17050	6.3
344.17957	3.3
359.14948	1.1
457.26324	21.6
458.26239	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	457.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86129	0.7
57.03450	2.3
57.65808	0.9
59.01375	7.0
61.98816	3.4
69.70638	1.9
69.71016	1.4
71.01382	20.6
72.99335	1.1
73.04038	0.8
75.00853	1.8
82.02940	0.9
82.06612	2.5
84.95086	1.1
87.00851	1.1
88.04038	28.4
89.02460	1.0
95.77243	0.8
96.00916	1.0
96.95977	2.0
99.04523	1.6
99.05652	0.8
101.02439	1.5
112.07710	1.6
113.02436	1.1
114.01990	1.2
114.99554	1.7
115.00375	31.8
115.08776	23.8
116.07194	1.2
118.48748	0.8
121.04042	1.4
122.09733	1.0
127.05107	2.1
128.03551	6.7
129.10335	23.7
130.08739	13.6
132.03035	16.0
137.40005	1.0
139.08752	2.9
147.04459	1.0
151.03976	1.2
151.08742	1.0
155.08293	1.2
157.13431	2.1
164.07123	0.8
164.09601	4.2
166.08708	2.7
166.09956	1.2
183.14995	1.9
193.13461	3.4
201.12482	1.9
207.15005	12.7
208.13347	1.5
209.10381	2.8
210.16101	2.4
211.14490	6.7
224.17667	6.9
228.17159	6.1
241.11961	2.9
242.18738	3.3
277.15613	9.4
298.24899	2.6
323.24527	31.6
324.24863	1.9
327.23877	2.0
341.25537	28.7
341.29495	1.8
342.23917	31.9
343.24203	2.3
413.27505	8.3
414.23303	1.2
414.28207	1.1
439.25296	1.4
457.26678	100.0
458.26816	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	457.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82019	0.8
59.01378	12.2
60.08764	0.9
61.98588	0.8
61.98829	8.8
64.15849	0.9
66.03455	1.2
69.22415	1.7
69.22825	4.1
70.02956	3.8
71.01366	4.1
71.02483	1.0
74.02462	1.0
78.95920	1.1
81.02213	2.2
82.02962	2.8
82.06612	3.4
84.08152	3.1
85.15666	0.8
86.02444	1.2
87.05624	4.7
88.04027	1.8
88.33962	0.9
89.02440	3.7
95.02475	2.5
96.00914	25.8
96.95993	1.8
97.06573	1.1
98.02477	36.9
99.00874	1.3
99.04491	1.9
101.02417	1.9
104.65643	0.9
109.01685	3.1
111.02007	1.4
113.02431	2.2
113.03568	11.3
114.01973	2.6
115.08778	21.1
116.07137	1.0
117.03472	0.9
124.07710	1.7
127.05103	1.5
128.03528	2.6
129.10330	4.2
130.08737	100.0
131.04630	13.1
131.09076	2.7
138.09253	9.8
139.08768	3.6
140.07220	4.5
141.10309	1.6
151.08705	2.4
152.07196	5.3
152.08215	1.1
155.08229	1.8
160.79961	1.0
164.09439	2.1
166.08734	10.2
168.08977	1.2
169.09804	2.3
177.01959	0.9
181.09770	1.1
182.15500	1.2
183.11424	1.2
183.15047	2.8
185.16556	2.5
187.11212	1.4
195.07735	4.0
195.14903	1.6
197.16591	10.1
199.18126	7.0
205.12279	1.6
209.09259	1.6
211.14485	6.3
213.08859	1.3
221.16634	1.4
222.12489	1.9
225.16083	4.5
229.15559	1.9
233.16570	1.2
235.18097	3.0
240.13496	2.3
243.17148	11.2
249.16042	1.4
253.14313	1.3
261.16019	3.7
275.21539	1.1
279.17136	3.2
295.05869	2.2
298.24945	2.0
309.14502	1.4
319.21960	1.2
323.16113	33.5
324.16531	2.3
326.17111	1.2
327.05106	1.2
342.24011	2.1
378.23975	3.7
397.18369	1.3
422.22952	85.7
423.23331	6.8
439.25632	49.4
439.31793	2.0
440.25201	5.7
457.21796	2.4
457.26645	51.8
458.26486	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	457.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46985	1.2
55.79728	1.0
57.03444	1.2
59.01381	12.9
61.98842	8.5
66.03479	1.2
70.02968	4.9
71.01368	4.6
71.46944	1.7
72.25684	1.2
73.04071	1.3
74.02460	1.4
81.02206	1.7
82.02979	2.8
82.06615	3.9
84.08168	4.2
85.02922	1.8
87.05637	4.4
89.02428	2.2
94.54851	1.1
95.02480	2.0
96.00913	20.9
96.95979	1.5
98.02477	42.3
99.04520	1.8
101.02456	2.5
103.63109	1.1
104.36839	1.1
108.02197	1.4
109.01669	3.8
111.02026	1.3
113.02431	2.5
113.03586	9.8
114.01943	2.6
115.08772	25.9
116.07197	2.0
117.03453	1.5
119.05065	1.5
121.02908	1.3
124.07658	1.6
127.05125	1.8
128.03525	1.7
129.10318	3.0
130.08737	100.0
131.04620	10.1
131.09093	2.1
138.09264	13.4
138.10306	1.7
139.08731	4.3
140.07156	4.3
152.07127	3.7
155.08301	1.9
158.29085	1.2
161.04549	1.7
166.08736	10.2
169.09831	1.5
171.01289	1.2
183.11380	1.3
183.15028	4.1
185.16597	2.2
195.07762	3.7
195.15013	1.5
197.16612	6.7
199.18163	5.9
204.43356	1.2
209.09125	2.2
209.12885	1.3
211.14482	4.5
213.08879	1.6
222.12476	1.8
223.14467	1.4
225.16118	7.5
229.15504	3.6
233.16620	2.3
235.13368	1.7
235.18144	5.8
236.11862	1.2
240.13461	2.8
243.17130	7.0
261.16037	4.9
279.17105	3.9
295.06097	2.8
298.25037	2.6
323.05737	1.6
323.16113	51.2
324.16364	3.8
326.17130	2.5
337.03714	1.4
378.24124	2.9
422.22958	83.7
423.23160	7.9
439.25595	61.8
440.26132	6.3
442.26099	1.6
457.07364	1.9
457.20969	3.0
457.26627	51.4
458.27060	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01379	8.0
61.98834	8.2
67.76721	1.0
70.02966	3.8
71.01379	3.1
74.02460	1.2
82.03010	1.0
83.01382	1.1
84.08164	2.2
84.43915	0.8
85.02882	0.9
87.05653	3.4
89.02456	1.8
96.00916	20.4
96.96020	1.5
96.98798	0.9
98.02477	40.9
99.04552	1.5
100.79716	1.1
101.02440	2.5
109.01690	1.4
113.02451	1.3
113.03577	9.6
114.01907	2.3
115.08797	1.7
125.07218	1.6
129.10332	3.1
130.08742	85.8
131.04610	7.7
132.05621	1.0
138.09235	2.0
140.07184	1.2
141.06689	1.7
141.10309	0.9
155.11990	1.3
165.10313	2.5
166.07440	1.7
166.08649	5.5
168.09048	2.2
181.13420	1.1
183.11388	2.0
183.15004	14.2
185.16579	9.7
209.09299	2.2
209.12962	2.2
211.14555	6.9
229.15666	10.8
255.13490	1.0
320.94202	1.0
323.05716	1.3
342.24066	1.6
378.23886	3.2
413.27774	2.4
422.22949	100.0
423.23328	8.9
439.25595	24.5
440.24622	3.7
457.20923	1.5
457.26563	24.6
458.26724	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	457.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
58.02983	6.6
59.01380	16.4
61.05421	1.2
61.98827	11.9
62.09831	1.5
68.99755	1.4
69.83515	4.8
70.02988	1.7
71.01385	9.5
72.84704	1.2
73.02953	2.8
73.04077	8.5
80.03959	1.3
82.95415	3.8
83.59451	1.4
84.95156	1.4
85.25893	1.4
87.00865	11.5
87.05637	2.5
88.04049	3.4
89.02419	2.6
96.95998	2.4
97.04037	1.8
98.02486	4.2
101.02431	2.0
104.69336	1.6
113.02444	2.9
115.00368	15.0
115.05138	22.4
127.05122	2.0
129.10323	7.9
130.08736	68.3
131.09048	1.9
140.07187	2.4
140.10719	1.4
152.07133	2.1
155.11876	2.1
157.13460	22.8
161.02434	3.4
164.07164	1.3
166.08679	1.7
168.11406	3.2
174.01756	2.9
175.02477	28.5
180.07777	4.4
183.11333	4.5
191.11234	1.5
198.08907	3.4
201.12473	6.4
210.12473	4.5
223.11095	1.8
223.13312	1.4
228.13513	1.4
237.93300	1.6
241.58865	1.6
255.13547	1.7
270.21887	20.0
271.21893	1.3
281.04547	8.8
283.05945	1.5
288.77673	1.5
295.06149	5.4
295.11865	1.8
309.04056	1.9
327.24072	7.8
330.31171	1.7
339.05084	6.0
369.24933	1.7
413.24023	100.0
414.24356	8.0
439.25552	4.6
457.21164	3.4
457.26837	25.0
457.33026	1.5
458.26947	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	458.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	48.6
61.65673	3.1
69.45176	12.6
70.21888	3.0
71.01374	29.1
73.02951	8.3
78.95908	5.6
85.02941	3.7
87.00849	4.7
89.02449	37.6
98.22588	8.2
101.02441	18.7
111.00887	4.2
113.02453	12.4
115.00387	8.2
116.07176	27.9
116.92851	42.4
117.01920	13.6
118.20559	3.4
119.03485	16.3
143.03473	5.7
149.04530	5.0
161.04535	8.6
162.85052	4.3
179.05641	19.5
191.01912	6.2
195.42094	4.3
299.59073	4.0
341.10895	100.0
341.14990	5.7
342.11401	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	458.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01381	2.2
61.98831	100.0
70.53481	0.5
71.01385	1.1
77.96275	0.3
89.02424	0.4
98.22588	0.4
101.02432	0.5
109.32596	0.2
128.85999	0.3
129.46022	0.3
130.08754	1.2
135.23155	0.3
136.49353	0.3
138.12474	0.3
229.15848	0.3
253.14445	0.7
323.06076	0.3
369.05969	0.4
458.26492	0.4
459.09387	0.9
459.22443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36871	0.8
59.01358	2.5
61.98814	0.8
69.63323	3.2
70.02971	1.3
71.01376	2.6
71.02497	1.5
72.99311	2.0
73.04063	6.9
74.02464	6.4
82.02966	3.3
82.06625	0.9
83.02505	1.8
84.00948	1.1
84.08167	1.0
87.05622	2.1
88.04047	1.4
88.98866	1.2
95.02545	0.8
96.00909	13.0
98.02475	8.3
98.22572	1.7
99.02009	2.0
100.24306	0.8
101.07199	1.6
104.03546	1.9
108.03296	1.1
109.01643	1.1
109.02930	1.1
109.04078	8.0
110.01785	1.0
110.02473	14.6
111.01993	1.9
112.05139	0.8
112.07648	1.3
113.03562	12.8
115.08733	2.0
116.07112	1.5
123.04522	1.2
124.04023	1.2
125.07200	2.7
126.06733	0.8
127.05119	7.4
127.08782	1.8
128.03525	4.3
129.06662	1.5
129.10338	4.8
130.06212	2.8
130.08734	79.2
131.04614	2.0
131.09079	1.3
135.08080	0.8
137.07198	1.0
138.09256	1.5
139.08778	1.1
140.07147	2.2
141.06653	1.1
141.10391	1.8
143.11856	5.1
144.07748	3.6
145.06178	6.0
149.03558	1.7
151.08722	1.9
152.07100	1.3
153.03047	18.5
153.05577	1.4
155.04620	2.4
155.08249	5.2
155.11873	2.5
167.07117	2.1
168.08998	3.8
169.09789	2.2
170.05672	2.9
171.04124	4.3
174.16867	0.9
180.10228	1.2
183.15013	6.3
185.16574	15.1
186.12582	0.9
187.10907	1.7
197.12976	1.3
207.14954	2.4
209.13004	1.1
211.03584	1.5
211.14470	3.7
211.32269	0.8
222.19183	0.9
224.17657	1.2
225.16064	1.1
229.15533	11.8
240.17183	6.5
242.18730	11.1
256.20261	2.9
268.16681	2.1
268.20163	1.2
274.08292	1.1
281.19827	1.6
281.35056	1.0
286.17694	5.5
299.20944	1.4
309.14557	9.3
312.06332	1.1
325.53500	0.8
327.15646	2.1
336.19440	1.7
343.19876	4.9
345.28781	1.0
369.05994	4.7
379.19641	2.0
397.20468	1.5
399.06995	1.8
414.23560	10.9
415.22797	1.6
423.18835	100.0
424.19247	8.1
429.23599	1.7
440.21472	40.1
441.19568	4.3
458.21585	22.6
458.27487	2.7
459.09433	4.7
459.19348	1.0
459.24716	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
62.99683	0.3
63.09084	0.3
65.81031	0.3
71.01374	0.5
73.04085	0.3
74.02474	1.1
89.02403	0.3
99.92584	9.0
101.92400	0.3
116.07194	0.4
116.92860	100.0
117.92867	4.1
127.05124	0.6
128.03522	1.1
129.66928	0.4
135.04486	0.4
144.07837	0.3
145.06168	0.5
161.02484	1.5
179.03494	0.4
197.12720	0.3
332.94397	0.3
341.08783	1.0
414.23322	0.8
436.83212	0.3
442.69202	0.3
458.26538	0.6
459.25232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47959	1.6
59.01112	2.9
59.01378	29.4
61.98833	2.4
70.07047	3.8
71.01384	7.3
73.02947	39.1
74.02489	2.2
78.95915	3.0
88.04049	4.0
89.00949	2.5
89.02451	3.5
90.95306	1.8
96.00914	1.7
98.22605	2.0
99.00887	11.3
99.92598	2.8
101.00994	3.5
101.02421	2.5
105.01924	2.1
109.04050	2.0
115.00388	2.1
115.02536	3.3
116.92854	33.1
117.00488	24.6
117.01939	91.7
127.02516	2.8
127.05122	2.6
128.03532	7.9
130.08597	2.2
131.01996	30.8
133.01466	2.2
133.02969	20.0
135.04512	8.1
141.00398	8.7
143.01924	3.5
144.07913	1.8
145.03575	6.1
145.06154	3.1
145.09872	2.8
156.99968	5.7
158.99570	2.3
159.01505	18.8
161.02443	100.0
170.97861	4.5
171.01436	3.0
173.03053	4.6
174.99345	2.8
179.03494	20.8
189.00887	2.1
196.99403	4.1
198.99368	2.4
199.01019	2.7
201.02614	2.6
203.03546	3.4
217.00423	9.0
231.02133	4.9
241.00528	3.2
241.10448	8.7
257.01443	3.0
257.03799	2.8
259.01712	15.6
260.01825	2.5
273.03210	26.5
274.03357	4.1
283.01382	1.9
283.05185	4.3
287.04706	15.0
288.04813	3.1
339.00650	5.6
341.02213	2.8
341.08765	54.9
342.09076	4.8
355.03836	4.8
367.00113	5.0
371.03195	31.0
372.03342	4.9
399.02823	28.0
399.12531	2.1
400.02780	3.8
458.26355	6.0
459.20911	2.5
459.26456	5.6
460.20935	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	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77430	0.5
59.01375	3.8
69.24889	2.5
71.01363	1.6
71.28100	0.5
72.99287	0.9
73.02945	38.1
74.02441	0.5
75.00867	1.4
81.28369	0.4
88.32862	0.5
89.02444	1.5
98.22626	0.8
99.00881	5.7
102.05620	0.5
105.01935	18.4
106.02235	0.6
116.07185	0.5
116.92848	1.1
117.01939	100.0
118.02268	1.4
118.05122	1.6
119.03472	0.5
126.94402	0.6
128.03566	1.2
133.01457	0.6
133.02940	0.8
135.04543	0.9
161.02420	4.6
179.03497	1.1
249.00275	1.1
263.00809	0.7
279.10696	1.0
279.13525	2.0
314.95148	2.2
341.08749	1.7
342.11246	0.7
351.33649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29559	0.9
59.01381	6.2
61.98826	1.2
69.25669	1.0
71.01365	2.8
73.02948	37.9
80.53073	1.1
89.02437	4.1
99.00874	4.5
99.92593	1.6
101.02432	1.8
116.92865	19.7
117.01942	100.0
118.02248	1.3
131.03435	1.6
149.04546	2.8
191.05675	1.2
225.96794	1.0
232.04251	1.0
256.99591	0.9
399.05972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.3
59.01378	82.1
64.36308	0.8
70.82942	0.7
71.01380	55.6
72.01717	1.1
72.99288	1.0
73.02939	12.6
80.55942	0.6
83.01388	2.6
85.02943	8.2
87.00849	0.7
89.02441	100.0
90.02733	0.9
94.12309	0.8
97.02924	0.9
99.00890	0.9
101.02441	45.9
113.02449	9.1
119.03495	6.6
125.02454	1.0
131.03499	28.4
143.03500	1.5
145.39476	0.6
147.04535	1.8
149.04550	81.8
150.04868	2.0
161.04547	1.2
162.55228	0.7
183.27805	0.8
191.05602	13.2
251.07681	1.0
273.37796	0.8
281.08737	0.7
293.08768	1.3
311.09854	2.3
326.02121	0.7
349.53278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
58.00603	1.7
59.01380	94.4
71.01382	60.1
72.99313	1.4
73.02948	12.0
74.35861	1.0
83.01387	3.3
85.02948	8.9
87.00864	1.4
87.78649	0.9
89.02445	100.0
101.02443	47.4
110.09005	0.9
113.02448	9.9
119.03489	7.6
125.02485	1.8
131.03510	25.7
147.04520	2.1
149.04559	75.4
150.04898	1.0
161.04559	1.6
191.05611	14.4
281.08865	1.4
293.08911	1.1
311.09787	1.9
382.62091	1.1
405.54492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	23.3
59.01376	96.7
61.98829	75.1
69.66606	12.5
69.66944	45.2
71.01367	43.6
73.02903	17.4
73.57667	12.0
75.54460	9.9
81.37165	11.7
82.95413	23.5
85.02950	28.8
89.02428	16.3
99.00897	26.4
99.92615	10.2
101.02434	33.0
102.89127	12.0
113.02460	34.5
152.33759	13.2
161.04523	17.6
174.01680	55.6
184.96947	12.2
211.13300	12.1
268.03705	24.5
283.06128	23.4
347.55618	11.7
415.30322	19.9
423.22421	100.0
459.20023	86.4
459.30051	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92964	1.0
57.03421	1.2
58.02999	1.0
59.01381	16.7
61.98830	2.9
66.03484	1.4
69.42959	4.4
70.02959	2.0
71.01379	8.2
71.02491	2.1
72.99294	2.9
73.02935	2.3
73.04073	8.8
74.02473	5.1
75.00867	1.4
82.02968	2.9
82.06644	7.7
84.08200	1.3
85.02937	2.4
85.04064	1.3
86.02470	2.2
89.02450	5.1
95.03762	1.8
96.00918	4.6
96.96004	6.7
98.02478	3.0
101.02426	4.6
101.07191	3.7
103.05125	2.9
104.03561	6.1
109.01701	1.8
109.04057	3.5
110.02461	2.5
111.05644	3.3
112.04029	1.8
113.02442	2.5
113.03568	2.6
113.07177	1.4
119.05032	1.8
123.03257	4.3
125.02437	1.8
125.03545	1.4
125.07179	1.1
125.41728	1.0
126.09254	1.1
127.05128	20.6
128.03543	22.4
129.10347	2.9
130.08743	66.1
131.04582	1.1
131.09032	1.8
132.04544	1.7
134.06075	0.9
135.04515	1.2
136.11333	6.4
136.27985	1.0
137.03525	1.0
138.09253	3.1
140.07112	2.2
141.06686	0.9
141.10335	1.2
145.06190	1.2
148.04366	1.9
148.76602	1.0
152.10809	3.3
153.06726	1.3
155.08195	1.3
155.11858	1.6
161.02365	1.2
161.04605	1.2
166.06158	1.5
166.08705	2.1
168.09079	1.8
169.09801	2.3
170.96796	1.0
176.88155	0.9
178.82751	1.0
179.11852	2.4
180.10301	57.7
181.10399	1.2
182.15475	2.0
183.06606	1.1
184.07234	3.9
185.05640	1.1
186.12451	1.6
187.10902	5.6
195.11420	1.2
197.12950	7.6
197.16603	2.2
199.18147	12.7
207.02864	1.2
208.13374	1.9
210.07591	1.5
210.16068	2.6
217.12061	3.4
223.10945	5.7
223.14447	1.2
224.09262	4.3
225.09415	0.9
225.16043	2.5
227.07210	1.3
232.09357	1.7
236.14044	1.2
241.11899	10.0
243.17165	10.6
261.13269	1.6
269.15131	1.4
269.79752	1.1
279.11310	1.5
281.04495	1.2
281.19785	2.0
282.05176	1.2
283.05975	1.5
284.23328	1.2
292.20313	2.3
297.07455	2.1
299.21136	1.7
310.21445	4.9
323.16089	9.4
328.15125	7.5
329.21796	2.5
336.19189	1.3
339.04941	3.5
354.20370	8.7
367.23492	1.5
367.68610	1.1
369.06055	4.0
380.18289	8.3
397.20813	1.8
406.19644	1.6
411.22446	14.1
412.22797	1.1
423.22467	1.9
424.20944	3.7
429.24228	1.9
441.23517	18.9
442.23608	1.6
459.09488	9.2
459.19049	3.7
459.24585	100.0
460.25159	6.1
484.70764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75684	0.7
59.01387	4.7
61.98825	2.4
66.03480	0.7
69.49621	2.7
70.02995	1.0
71.01376	3.0
71.02507	1.6
72.99313	1.8
73.02954	1.0
73.04071	17.3
74.02477	2.2
76.62410	0.7
80.63994	0.7
82.02982	0.9
82.06601	1.5
84.04572	4.1
85.02929	0.7
85.04070	1.5
88.04059	1.1
89.02441	2.3
96.00864	0.9
101.02443	1.1
102.05613	27.4
103.05132	5.0
103.05718	0.7
112.07679	0.7
113.02448	1.0
113.03584	2.2
127.05152	1.1
128.03543	83.6
129.03897	1.7
129.10365	5.1
130.08742	18.3
132.32321	0.7
139.08797	2.6
140.07182	5.1
141.10353	2.4
143.11909	1.2
146.04601	21.7
148.69206	0.7
149.02397	1.8
151.08775	0.7
154.12395	1.7
155.11880	1.6
164.04764	2.0
169.09814	3.2
171.15034	6.0
181.09764	1.6
186.12469	2.1
187.10907	1.1
197.12967	1.5
197.16566	1.1
199.10867	2.9
199.18184	3.2
207.14955	1.8
208.13455	2.5
215.13994	3.2
217.11870	2.0
221.29364	0.8
223.06075	0.8
224.17680	2.6
225.16104	2.4
235.43135	0.7
238.19232	3.2
241.11842	1.1
242.18806	1.3
243.17023	0.8
256.20267	4.8
281.19800	2.6
284.23511	3.0
300.19501	4.0
327.15543	0.9
328.22229	1.5
330.20337	27.9
331.20749	1.3
339.04904	1.1
369.06012	1.1
385.24738	4.0
415.25763	1.0
429.23328	1.6
441.23651	1.0
459.09415	2.7
459.24625	100.0
460.24997	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	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
55.69963	0.5
56.03716	0.4
70.30470	1.0
85.32257	0.4
96.42191	0.5
107.05026	27.1
108.05369	0.9
116.92838	0.8
117.15567	0.5
152.63736	0.5
163.11281	89.5
164.11613	3.4
283.17044	21.3
284.17334	1.6
295.16986	11.9
296.17474	0.8
459.29025	100.0
460.29388	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01379	10.9
61.98819	1.4
69.10855	0.9
69.11261	1.3
71.01379	2.5
72.99311	0.7
73.02910	0.9
74.02453	0.7
75.00886	3.4
78.59418	0.3
79.01922	0.5
83.01373	0.4
85.02946	1.0
87.00888	0.4
88.04034	0.4
89.02464	1.8
99.04518	1.3
101.02467	2.1
105.03447	1.1
108.02214	0.5
109.02974	1.1
113.02464	1.3
115.08794	0.5
119.03489	0.8
121.02949	1.0
123.04512	0.6
125.02500	0.5
127.05157	0.4
130.08725	0.9
132.02173	1.1
133.02950	2.2
134.03777	3.0
135.00850	0.8
135.04553	0.8
136.01630	0.5
137.02432	0.7
145.02963	0.6
146.20801	0.4
147.04559	2.0
149.02460	2.0
150.03233	0.6
153.01955	1.0
153.09200	0.6
161.02428	1.5
161.04547	1.0
162.03142	0.5
163.00386	2.7
163.04073	0.4
164.01125	0.9
164.07144	0.4
165.01894	1.2
167.03435	0.4
173.02388	0.4
176.01175	0.6
177.01878	0.4
179.03455	1.2
179.05539	0.6
188.02519	0.3
189.01898	0.4
191.03471	1.3
201.01900	0.6
201.12796	0.7
211.03920	0.6
219.13835	0.7
225.05573	0.9
225.11403	0.9
226.06323	0.7
226.32414	0.4
227.03452	0.8
229.01651	0.3
241.05086	1.5
242.05737	0.7
253.05025	1.3
254.05765	0.6
255.02974	2.4
255.06767	0.4
255.10335	0.5
263.12903	1.8
268.03745	0.8
269.04504	3.1
270.05215	2.4
273.07687	0.4
281.04608	0.5
282.05219	0.6
283.02289	0.6
284.03174	2.4
285.04028	2.1
296.03262	1.9
297.04034	17.4
298.04807	100.0
299.05267	7.5
308.03278	1.4
309.04047	4.0
310.04742	1.5
311.05682	1.6
313.07181	12.1
314.07629	0.6
323.05569	1.1
324.02661	0.6
325.03516	0.6
326.04327	7.2
327.04773	0.9
330.03757	1.2
338.04361	0.5
339.05161	0.6
341.06647	99.8
342.06970	6.5
353.06631	2.6
356.05316	0.6
371.07690	9.7
372.08157	0.5
383.07642	1.0
401.22021	0.7
425.24457	0.6
461.10895	56.3
461.23172	2.2
462.11191	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03458	1.7
59.01379	7.9
61.98832	2.4
65.00307	0.3
69.17064	0.7
69.17471	1.2
71.01385	2.9
72.99273	0.4
73.02935	0.8
73.38305	0.3
75.00870	3.5
79.01858	0.5
83.01385	0.5
85.02921	0.8
87.00882	0.5
88.98807	0.4
89.02435	2.0
95.01395	0.5
99.00883	0.3
99.04508	0.9
99.70123	0.3
101.02446	2.0
108.02161	1.0
108.89898	0.3
113.02445	0.9
114.05604	0.7
117.49097	0.3
119.03468	0.8
121.02922	0.9
123.00911	0.3
125.02377	0.4
130.08742	0.7
132.02173	1.2
133.02910	1.9
134.03754	3.2
135.00862	0.6
136.01614	0.9
137.02448	0.6
145.02881	0.4
147.04526	0.5
148.01692	0.3
149.02426	1.0
157.80731	0.3
161.02451	1.5
161.04572	0.6
163.00360	3.6
163.04062	0.3
164.01141	1.0
165.01897	1.1
168.02975	0.7
169.09877	0.3
174.03159	0.6
176.01195	0.3
177.01883	0.3
179.03506	1.1
179.05624	1.0
189.01932	0.7
189.05611	0.3
191.03490	0.5
196.45375	0.3
196.64589	0.3
201.01802	0.5
202.02730	0.5
211.04013	0.4
213.05547	0.4
214.06313	0.7
220.90041	0.3
225.05536	1.1
225.11200	0.4
227.03447	1.0
229.05042	1.0
239.03558	0.4
241.05017	1.9
242.05692	0.5
253.05019	1.1
254.05833	0.5
255.02977	2.7
256.03616	0.7
263.12915	0.6
267.06519	0.4
268.03799	1.0
269.04584	3.8
270.05280	2.6
283.02441	0.5
284.03256	3.0
285.03955	2.0
295.06046	0.5
296.03140	1.8
297.04034	20.8
298.04797	100.0
299.05240	8.8
299.14764	0.4
299.18628	0.4
308.03149	1.1
309.04041	6.7
310.04877	2.3
311.05576	2.9
312.06210	1.4
313.03659	0.5
313.07144	8.8
314.07297	0.5
323.05496	1.7
324.02844	0.7
325.03510	2.4
325.07080	1.0
326.04340	4.6
327.04922	0.7
330.03812	1.4
337.03534	1.0
338.04227	1.0
339.05045	0.9
341.06631	86.7
342.06955	6.0
344.05161	0.6
351.04724	0.4
353.06650	4.9
356.05307	2.1
371.07681	23.7
372.08096	1.4
383.07678	2.4
385.09213	0.4
401.08691	0.7
409.08044	0.3
425.08792	0.4
443.09683	1.5
461.10898	76.8
461.24252	3.1
462.11270	5.5
462.23959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.3
58.01529	0.5
59.01382	4.9
69.29146	0.6
71.01381	1.4
73.02949	1.1
87.46301	0.7
87.64767	0.5
89.02450	1.4
99.04523	4.8
101.02431	2.0
107.01398	0.7
113.02481	0.8
118.82419	0.6
123.04597	0.9
125.02464	1.3
125.09713	0.5
138.40862	0.5
151.00380	0.9
159.39114	0.5
221.11929	1.3
227.03522	0.6
255.02974	81.3
256.03378	4.4
268.03870	0.9
269.04474	4.4
283.02469	60.2
284.03168	12.2
285.03949	2.3
289.47043	0.6
297.04028	11.9
298.04785	16.5
298.08160	0.9
299.05615	8.0
313.03522	5.4
327.05038	0.7
390.08865	0.6
441.46399	0.7
446.08508	18.7
447.08698	1.8
461.10892	100.0
462.11151	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
51.21094	3.6
59.01374	9.2
61.98826	8.5
63.74210	3.5
82.29218	3.0
99.54456	2.9
110.03967	3.3
123.04532	29.7
124.55356	3.3
125.02448	5.7
149.51999	3.0
156.16518	3.3
167.03503	100.0
168.03831	3.2
169.60182	3.8
191.03519	18.4
306.22601	3.8
320.23062	3.4
336.45825	3.6
461.13037	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	0.9
65.03944	0.6
65.73269	0.6
70.99271	0.8
71.01379	8.2
72.99341	1.0
73.02929	0.9
75.00877	1.7
85.02937	3.3
85.91767	0.6
87.00873	3.0
89.02441	11.5
95.01394	1.0
101.02454	7.2
113.02442	4.8
119.03501	8.5
119.04205	0.8
123.04552	2.3
123.08201	0.6
133.70277	0.6
137.09712	1.1
143.03529	1.2
153.09201	1.5
159.02917	0.8
161.04582	3.2
161.09746	1.3
175.02495	1.8
179.05606	5.6
203.10764	4.2
221.11874	4.2
298.04892	1.8
326.04416	1.0
341.07025	1.0
374.27545	1.1
383.17111	7.5
384.17679	0.9
401.18097	3.3
461.10812	3.5
461.24771	1.2
461.30475	1.3
462.24072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
58.00603	1.2
59.01381	100.0
64.37979	1.1
69.67396	4.0
69.67763	1.5
71.01382	44.6
73.02909	1.5
83.01375	1.5
85.02958	7.6
87.00874	2.3
87.35577	1.1
89.02444	67.5
95.01372	2.1
101.02451	25.2
113.02452	17.1
119.03505	30.7
131.03519	5.1
143.03506	5.4
146.29660	1.2
149.04590	2.6
151.07701	1.4
161.04541	8.0
161.23114	1.3
165.09280	1.4
179.05611	18.0
203.10782	3.5
206.09453	3.0
221.11771	8.0
239.13115	1.4
353.31009	1.4
398.15445	1.5
401.18182	19.5
449.30023	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25717	1.2
57.03448	70.8
59.01377	90.0
61.98827	29.0
67.73036	1.2
69.16714	8.4
70.10519	1.1
71.01380	23.1
73.02954	10.3
74.89384	1.2
75.00888	3.3
81.03477	1.4
83.01379	5.3
83.02474	1.1
85.02950	4.5
86.50512	1.2
87.00893	2.1
89.02438	17.7
90.16824	1.2
95.01404	2.2
97.02933	1.4
97.45209	1.4
98.21903	3.2
99.00907	1.8
99.04515	70.1
101.02441	32.7
113.02444	9.1
115.08752	2.3
119.03482	5.0
123.04547	5.7
124.16825	1.4
125.02444	25.7
130.08731	3.5
131.43066	1.4
133.02928	1.9
134.03712	3.1
135.04535	2.2
137.02454	2.9
143.03537	4.0
147.04546	2.4
149.04456	1.2
151.07573	1.3
151.86548	1.4
161.02457	3.0
161.04538	6.8
163.00366	4.8
164.07141	3.3
164.38791	1.5
178.51271	1.2
179.03537	7.8
179.05672	3.5
201.02011	1.9
225.05247	1.3
225.11392	1.5
241.05067	3.0
246.75314	1.4
255.02948	1.9
263.12848	3.7
269.04526	5.3
270.05240	1.8
281.04480	7.3
284.03317	2.4
297.04010	28.8
298.04794	100.0
299.05371	7.1
299.15179	2.0
309.04056	6.0
310.04880	2.6
311.05716	2.1
313.06998	7.3
317.16055	5.2
323.05573	2.3
325.03397	1.8
326.04465	4.2
341.06638	80.2
342.06946	6.2
353.06613	4.4
356.05554	2.1
359.17227	2.9
371.07703	26.4
371.12146	0.9
372.08145	2.7
383.07745	2.8
401.08691	1.5
406.44461	1.6
443.09909	3.9
461.10876	91.6
461.20715	6.1
462.11273	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01379	100.0
60.01714	1.0
61.98833	1.4
65.03957	0.5
69.38129	1.0
69.38508	1.1
71.01386	10.5
71.01779	0.5
73.02954	1.8
73.04078	0.6
75.00885	1.9
76.76035	0.6
83.01386	1.3
85.02525	0.4
85.02949	2.9
85.14061	0.6
87.00882	2.9
88.04073	1.4
88.98819	0.6
89.02449	14.0
95.01414	0.6
101.02451	6.8
104.90028	0.5
105.03492	1.2
111.00904	0.5
113.02441	5.0
119.03504	8.5
123.04530	2.2
123.08164	1.6
128.03578	0.9
130.08778	0.7
131.03459	0.9
135.08182	0.9
137.09732	0.7
143.03549	1.6
149.04616	1.0
153.09261	2.2
161.04567	3.6
161.09752	1.6
165.09244	0.6
179.05612	4.9
203.10786	4.6
221.11833	6.0
239.09410	0.7
247.08282	0.6
293.14114	1.0
299.11417	0.9
342.20474	0.6
383.17029	7.1
401.18237	1.7
415.16141	0.9
461.25000	1.3
462.24258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03434	4.6
59.01378	100.0
61.98827	18.8
71.01381	52.5
71.44786	1.6
72.99304	7.2
73.02954	10.4
75.00860	2.2
81.25883	1.5
83.01385	4.2
85.02950	23.7
85.94718	1.4
87.00871	7.3
89.02445	65.7
90.60546	1.8
95.01382	3.3
97.02950	4.6
99.04575	1.9
101.02455	28.8
101.12563	1.6
107.05048	2.0
113.02459	23.8
114.05592	1.6
119.03513	28.0
120.99637	2.0
121.06583	2.4
128.03525	2.5
130.08778	2.2
131.03503	4.3
135.08182	1.5
143.03508	7.0
150.15712	1.4
153.06818	1.7
153.09245	13.2
159.02985	2.0
161.04549	18.8
161.09705	1.9
165.09200	2.8
167.03476	5.4
173.09698	5.7
174.80257	1.6
179.05629	32.8
187.11139	1.5
191.10744	8.9
193.12215	1.9
203.10785	17.4
204.10872	2.2
209.04536	1.7
220.11055	1.7
221.06845	1.8
221.11819	56.0
221.13983	3.6
222.12209	2.9
235.08200	4.2
245.11816	2.2
245.74452	1.6
247.08102	4.2
299.11380	2.4
328.85916	2.0
383.16916	1.7
401.18176	10.7
461.19669	9.1
462.22879	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	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
58.90804	0.9
59.01379	76.8
61.98836	7.5
69.03462	1.5
70.45646	1.5
71.01383	2.2
75.77504	0.9
83.04998	1.1
85.02965	3.3
89.02460	4.1
91.04009	28.6
94.72936	0.9
97.06609	3.9
127.11333	1.6
155.10747	1.6
155.14413	1.1
165.12892	1.2
171.10294	6.2
177.12927	1.1
183.13875	2.6
185.11874	1.7
193.12402	1.6
196.47353	1.0
197.11920	1.0
209.11848	2.0
211.13368	17.3
221.11873	2.0
229.14413	12.5
239.12862	2.5
247.20599	1.2
291.19656	7.0
299.18427	1.2
309.20682	19.0
327.21759	100.0
328.22119	5.7
346.66049	1.2
373.26019	5.7
401.25400	1.6
445.35468	1.0
461.10999	1.7
461.27667	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
59.01379	58.1
59.07428	1.1
61.98825	9.7
71.01381	2.2
71.34820	1.5
74.02468	10.7
84.02182	1.1
85.02950	7.9
86.89928	1.0
89.02427	3.1
90.05050	1.0
91.03999	19.6
95.01418	1.0
97.02982	1.9
97.06622	1.3
101.02444	1.4
121.33772	1.3
137.09662	2.4
171.10252	25.3
171.11629	2.0
183.13872	2.4
198.95636	1.1
211.13324	9.4
221.11772	2.2
229.14348	8.6
239.12868	1.8
255.03062	1.3
291.19543	3.9
309.20743	9.6
317.02414	1.5
327.21747	100.0
328.22034	6.2
347.48947	1.2
390.05188	2.5
462.27106	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	462.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
61.98830	100.0
64.90479	0.3
69.91002	0.8
71.01378	1.4
80.60058	0.3
81.02972	0.3
85.02949	0.4
89.02451	1.8
90.08136	0.3
90.08695	0.3
95.01450	0.4
101.02467	1.4
113.02456	0.5
119.03512	0.6
138.02020	0.4
140.76666	0.3
161.04597	0.4
176.01221	0.3
196.52003	0.3
200.17104	0.3
238.16139	0.3
403.19720	3.9
413.63480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35996	0.5
56.68440	0.5
59.01379	100.0
69.27618	0.5
71.01386	5.6
73.02945	0.7
76.75719	0.5
83.01365	0.5
83.73668	0.5
85.02956	1.1
89.02444	8.9
89.02941	0.7
89.41548	0.5
101.02444	5.0
113.02451	4.5
119.03513	5.2
131.03659	0.7
143.03539	0.8
149.04680	0.7
154.85233	0.5
154.86473	0.5
161.04620	1.7
163.11412	0.5
179.05638	3.0
194.98521	0.5
205.12402	2.2
241.14542	0.5
343.87686	0.5
403.19711	11.9
403.24539	0.7
404.20029	0.7
463.22058	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78136	6.0
58.00249	6.3
59.01376	100.0
69.56377	18.9
69.56796	12.6
71.01366	31.3
80.79039	5.9
81.78046	7.5
85.02981	8.2
89.02440	39.1
94.36488	6.0
101.02460	18.5
113.02445	15.5
117.74608	5.7
119.03493	15.6
125.07164	6.2
161.04561	6.9
179.05635	9.5
217.00233	6.6
272.09488	7.0
279.41360	6.6
459.97568	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43954	0.5
57.03449	100.0
57.09134	0.5
58.00617	0.6
58.03785	0.7
59.01379	84.0
61.98819	2.5
69.47612	2.4
71.01384	19.2
72.99319	0.7
73.02946	18.5
75.00883	1.0
79.05551	1.0
81.03459	1.9
83.01390	6.4
85.02951	3.4
87.00878	1.3
89.02444	14.9
95.01393	1.3
97.06622	0.9
99.00880	0.9
99.04520	80.0
100.04868	1.5
101.02448	33.2
102.02774	0.5
113.02457	9.0
113.06084	1.7
119.03498	5.7
123.04539	6.9
124.00253	0.6
125.02455	26.1
126.02756	0.9
131.03462	1.9
141.05603	1.6
143.03496	4.3
149.04543	3.0
153.05560	1.4
161.04565	7.6
173.00848	0.5
179.05637	5.5
183.13818	0.9
203.05583	0.6
221.06601	0.8
255.02972	1.2
256.03250	0.9
257.03552	1.4
257.13205	0.5
283.02090	0.5
284.02679	0.9
285.03104	1.1
300.05392	0.7
301.16568	0.6
319.17661	2.5
361.18729	3.4
401.21750	0.9
427.28845	0.7
448.09131	0.6
451.91306	0.6
462.92792	0.6
463.11667	3.9
463.21402	8.0
464.21530	0.9
466.39926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.61586	0.3
57.03437	0.7
59.01377	10.2
60.93670	0.3
61.88874	0.3
66.17200	0.3
66.90560	0.4
66.92580	0.3
68.59063	0.3
71.01379	6.3
73.02946	2.1
83.01379	0.6
85.02917	1.7
87.00900	0.7
89.02446	5.6
93.32969	0.3
95.01401	0.5
97.02942	0.3
99.00837	0.3
99.04514	0.5
101.02439	7.2
111.08163	0.6
113.02457	3.1
119.03549	1.6
125.97866	0.3
133.05038	0.5
136.70148	0.3
143.03499	0.6
161.04518	2.9
165.12849	8.1
179.05577	0.9
183.13890	100.0
184.14206	3.7
201.51587	0.3
209.11801	2.3
212.92851	0.3
227.12895	8.9
228.13168	0.4
235.08250	1.3
250.63402	0.3
253.09291	8.4
419.12991	0.3
421.20609	0.6
428.26984	0.3
445.20764	0.7
463.21841	71.0
464.22247	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43155	0.1
55.01867	0.3
57.03448	1.5
59.01377	6.4
61.98816	0.7
65.66560	0.2
69.03465	0.2
69.12731	0.2
69.13129	0.7
71.01379	3.8
73.02946	1.6
75.00890	0.2
81.56288	0.1
83.01385	0.6
83.05046	0.1
85.02948	1.3
87.00868	0.5
89.01923	0.3
89.02438	2.9
91.03991	0.2
94.02950	0.1
95.01379	0.3
97.02917	0.2
97.06586	0.3
99.00890	0.3
99.04512	0.8
101.02444	3.9
103.04003	0.2
111.08159	0.7
113.02446	1.8
119.03502	1.0
124.49041	0.2
125.02454	0.6
133.05043	0.4
134.03842	0.1
139.28838	0.1
143.03508	0.4
145.04985	0.1
157.05067	0.3
161.04573	1.5
165.12840	8.5
166.13191	0.4
172.64429	0.1
179.05617	0.5
183.13893	100.0
184.14223	3.7
209.11803	1.4
227.12883	10.3
228.13199	0.5
235.08215	1.0
253.09268	4.7
254.09650	0.2
301.16556	0.2
366.53708	0.2
375.27655	0.2
445.20468	0.6
463.21835	59.7
464.22211	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50353	0.9
57.03449	100.0
58.03793	1.1
59.01379	96.9
61.98824	4.1
69.41161	2.0
69.41525	4.3
71.01382	21.3
72.97534	0.9
73.02949	17.3
75.00877	2.2
78.02908	1.0
81.03449	2.3
83.01396	5.5
85.02959	5.0
89.02445	19.8
99.04520	92.8
100.04862	1.8
101.02445	39.6
107.60551	0.9
113.02446	11.9
115.08780	1.1
119.03514	7.7
123.04527	7.8
125.02435	31.7
130.08751	1.8
131.03528	1.6
141.05614	1.8
143.03496	4.7
146.97519	1.0
147.70808	0.9
149.04535	2.4
161.04539	7.0
166.20531	1.1
179.05652	6.1
209.11859	2.7
227.12885	1.0
305.91101	1.1
319.17569	4.1
343.07376	1.4
361.18594	2.8
377.52011	1.0
419.22937	1.5
463.11301	1.5
463.21014	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	463.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19783	9.6
59.01378	79.5
61.09058	10.7
63.91566	10.1
69.92335	29.4
78.95919	10.4
87.93776	9.9
91.04008	17.4
96.96027	13.3
111.21442	8.9
138.72263	10.1
171.10275	13.1
180.97057	9.2
211.13303	17.7
217.00377	23.5
311.22260	12.8
329.23355	100.0
330.23489	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	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93305	0.2
57.03448	0.3
59.01378	1.9
61.98829	100.0
63.72112	0.2
63.75215	0.2
69.36448	0.7
71.01396	0.4
78.91906	0.5
81.03484	0.4
85.02949	0.3
88.89563	0.2
89.02466	0.7
99.04536	0.8
101.02468	0.5
109.02966	0.3
113.02470	0.2
119.03413	0.3
125.02460	1.4
129.55150	0.2
133.02963	0.3
136.69270	0.2
161.04617	0.3
167.03490	2.4
167.10754	0.2
169.13269	0.2
179.05589	0.2
197.04558	0.5
216.03801	0.2
235.02518	0.7
273.72311	0.2
278.22446	0.2
287.07883	0.3
300.52859	0.2
345.06165	0.6
376.11639	0.3
394.17386	0.2
404.15366	0.3
460.04846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91627	1.2
56.91907	1.0
59.01377	1.4
61.98829	100.0
64.61450	1.2
119.35915	1.1
125.02433	1.4
137.02409	1.7
146.86047	1.1
149.02536	1.3
165.01898	1.1
264.83200	1.2
285.03961	2.2
302.07422	2.3
321.04291	2.2
435.20898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98830	100.0
62.98538	0.2
63.07885	0.2
69.51054	0.6
71.01376	0.2
79.33186	0.2
96.96014	0.3
98.21817	0.3
101.02451	0.2
102.11629	0.2
152.99625	0.2
232.91306	0.2
313.22913	0.3
407.60550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88166	0.3
59.01376	0.6
61.98828	100.0
64.28692	0.2
65.66656	0.2
78.14359	0.3
78.95905	2.8
152.99599	1.7
153.42470	0.3
181.66261	0.3
218.38721	0.3
221.23013	0.3
228.13309	0.3
280.31021	0.3
292.76700	0.3
363.20099	0.3
430.37985	0.3
465.19348	0.6
486.63834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28294	0.3
54.10517	0.3
54.62518	0.3
57.03456	0.4
59.01360	0.8
61.27263	0.4
61.98830	100.0
69.14677	0.8
69.15103	1.2
109.23076	0.3
123.92312	0.3
157.00436	0.3
189.10878	0.3
199.45264	0.3
299.58170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68496	0.3
61.98829	100.0
65.20127	0.3
70.53286	0.3
70.53626	0.3
78.95911	0.6
87.38326	0.4
107.03228	0.3
440.25830	0.3
487.34723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98828	100.0
70.71584	0.2
70.77402	0.3
73.24989	0.2
74.79385	0.2
89.02505	0.2
96.87562	0.2
101.17587	0.2
181.84947	0.2
245.16859	0.2
297.92715	0.2
428.18747	0.3
472.86502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.07022	0.4
57.03432	2.5
59.01383	3.1
61.98821	2.9
65.00325	0.5
69.71709	0.8
69.72097	0.8
71.01385	1.0
71.05015	1.0
73.02947	0.5
76.18300	0.4
80.19529	0.4
81.03451	13.7
83.01373	2.6
89.02448	0.7
90.07659	0.4
94.14912	0.5
95.01364	0.7
95.05020	6.3
97.02927	3.1
99.04511	12.5
101.02440	0.8
105.03400	0.5
107.05027	0.5
108.02149	0.4
109.02948	7.8
111.04482	1.2
112.24799	0.4
117.94778	0.4
119.05048	0.6
121.02910	1.4
123.04513	6.9
125.02437	32.9
126.02744	0.9
133.02953	11.5
134.03299	0.6
135.04494	1.0
137.02440	4.2
139.03989	1.9
147.04504	1.1
149.02415	1.7
151.04010	1.0
163.04008	1.7
165.01942	1.6
167.03482	100.0
168.03882	2.7
175.04047	0.8
177.01933	4.3
179.03493	1.7
181.05069	0.8
191.03497	1.0
192.00664	0.7
193.01456	4.7
197.04536	20.7
198.04810	0.7
205.01424	1.2
206.02110	0.5
207.02907	0.6
209.04546	2.9
219.02911	0.6
227.05577	0.9
235.02444	18.0
239.05508	0.7
247.02400	0.6
265.03522	4.2
269.06656	2.4
287.07697	11.2
287.10687	0.8
288.08093	0.6
312.46780	0.5
327.05017	1.3
345.06100	32.4
346.06360	1.6
355.06659	1.4
375.07178	5.2
376.07672	0.7
386.17307	0.4
387.07468	0.5
405.21323	1.1
442.99338	0.4
447.08957	0.9
465.10272	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
50.74941	0.2
54.38596	0.2
57.03449	13.5
59.01376	3.4
61.98823	0.9
68.47061	0.2
69.73303	0.4
69.73678	0.4
71.01379	1.0
71.68742	0.2
81.03414	0.4
83.01395	0.9
87.00877	0.3
89.02435	1.6
91.27370	0.2
94.36765	0.2
101.02457	0.8
107.01387	0.4
109.02940	1.3
113.02440	0.7
119.03526	0.6
119.04966	0.7
125.02444	100.0
126.02820	2.5
133.02951	19.6
134.03438	0.5
149.02492	0.4
151.00339	0.5
167.03506	0.8
174.06027	0.2
176.85518	0.3
177.01926	10.8
178.02264	0.3
192.00700	0.5
193.01387	2.6
198.10211	0.3
207.60548	0.3
229.14386	1.9
241.05156	0.3
259.06070	0.3
285.04102	0.8
303.05045	2.6
316.16284	0.3
339.07193	15.1
340.07498	0.8
355.06699	1.0
405.21225	2.0
447.09250	3.2
448.09283	0.3
448.68054	0.3
465.10236	8.3
466.10617	0.8
466.23648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03208	1.5
57.03453	18.0
59.01379	100.0
61.98826	14.5
70.52095	2.1
71.01384	8.8
71.05035	1.5
73.02941	7.5
75.00882	1.6
77.19566	1.1
83.01382	4.8
83.04979	1.2
85.02944	4.4
87.00882	2.3
89.02419	4.9
99.04519	11.3
101.02456	11.6
113.02442	8.4
119.03484	2.0
125.02434	5.5
130.08714	1.3
131.03470	1.5
133.02940	2.3
161.04538	4.5
163.11334	3.1
174.43089	1.3
193.01401	2.0
205.12332	1.2
207.10301	10.7
223.13397	84.8
224.13724	3.9
229.14450	17.7
234.18694	1.2
249.11322	3.5
253.09293	2.3
265.14209	1.6
267.12384	94.5
268.12680	5.0
284.06534	1.3
303.13583	1.9
303.21530	1.3
309.13437	4.0
312.05954	1.7
321.18964	2.8
369.15323	1.4
402.09030	3.8
405.21170	4.8
429.17508	5.2
446.19177	1.3
448.86548	1.4
465.21860	2.1
465.27509	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75494	1.1
55.63756	0.9
57.03447	2.4
59.01379	31.1
61.98828	34.7
69.43919	5.3
71.01381	8.1
73.02931	2.0
75.00858	2.3
78.91865	2.0
79.46214	1.0
83.05031	1.6
85.02950	3.2
89.02457	5.2
96.96014	1.3
99.00861	1.5
99.04517	1.6
99.96907	1.0
101.02438	5.0
113.02440	3.3
119.03471	2.4
125.02427	3.0
127.03992	1.2
130.08740	3.1
137.09714	7.1
155.10777	75.3
156.11130	1.7
156.87939	1.1
161.04524	2.0
169.12379	1.7
171.10265	14.4
179.05580	1.5
181.08725	1.6
197.11842	1.5
199.09755	22.9
213.11272	1.7
217.10794	66.9
218.11165	3.4
241.10921	5.7
258.17108	3.2
259.11859	100.0
259.17587	3.7
260.12262	5.6
285.08713	1.4
301.12805	4.0
303.14496	1.3
379.15594	1.8
403.15991	1.6
405.21176	3.7
405.67957	1.2
421.17087	12.8
429.27017	5.1
465.09393	2.6
465.19641	7.2
469.35614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
60.58788	0.7
61.98827	3.3
63.44855	1.0
69.83687	1.3
69.84005	1.5
71.01399	1.1
72.99312	1.3
73.04069	14.4
73.45822	0.7
74.02476	8.4
74.52563	0.9
78.95887	1.6
83.01394	0.8
83.02519	2.6
84.00919	1.0
85.04066	2.9
87.05637	5.6
89.02474	0.9
95.02513	5.9
96.96021	1.7
97.04076	0.9
99.01999	1.6
105.01929	6.9
109.04062	1.3
111.01990	2.0
112.05159	9.5
113.03570	16.7
113.04289	1.6
119.05032	9.6
120.97403	0.8
126.06722	2.1
127.05108	1.1
130.06229	18.1
131.04623	5.5
134.04810	1.1
135.04552	4.2
142.06174	0.9
144.07785	19.4
158.06094	1.9
161.02466	1.1
162.05620	1.2
166.06204	1.3
169.07315	21.7
170.05693	4.6
176.07173	2.3
180.06740	1.2
187.08347	19.7
188.06802	3.1
201.09924	12.1
201.12515	1.5
202.05016	3.9
215.08125	0.8
219.07814	1.3
237.08723	1.5
250.11859	1.0
258.12137	2.3
275.11612	1.1
284.10034	0.9
293.12506	3.5
294.10999	1.6
307.14120	1.5
315.14194	1.0
351.13187	2.3
376.74649	0.9
408.15067	1.1
465.17349	100.0
466.17545	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	465.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01378	27.0
61.98835	4.8
71.01011	1.3
71.01380	18.4
72.99306	1.0
73.02942	5.7
78.91903	1.0
83.01384	0.8
85.02955	3.6
89.02442	30.7
94.06617	1.0
95.03761	0.9
96.08163	2.0
96.96009	2.5
97.01715	0.7
99.00883	8.7
99.04499	1.2
101.02447	14.4
106.06625	17.2
109.05322	2.3
113.02456	4.0
120.08190	12.5
124.07684	21.6
125.02439	1.9
130.08716	0.7
131.03477	5.4
134.06119	100.0
135.06480	2.2
138.05551	0.8
140.07237	0.6
143.03543	1.0
145.06490	0.7
148.07697	0.7
149.04565	21.0
150.04874	0.8
161.04593	1.5
164.07158	18.0
165.74399	0.6
174.05583	1.5
178.05090	82.9
179.05473	2.6
191.05621	5.3
192.06650	17.5
194.26111	0.6
220.06139	22.4
221.06686	2.0
241.13525	1.1
250.07047	4.0
251.07875	1.0
267.16141	3.1
280.08240	9.0
285.12415	1.3
303.13467	3.9
340.10345	27.3
341.10910	1.0
417.18298	0.8
422.21011	3.5
465.13870	1.4
465.27612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93573	1.4
56.98026	3.0
59.01383	1.5
61.98826	1.5
66.62572	1.2
69.92814	3.3
74.83846	1.2
97.04066	2.3
100.00413	10.9
125.03005	1.3
132.03296	1.8
145.04135	2.2
146.04836	8.6
159.05629	4.2
160.06357	1.1
161.07249	2.7
168.20744	1.5
173.07175	1.6
175.05099	1.4
185.07169	2.9
186.08031	1.4
187.08786	1.2
189.06691	3.1
215.11908	1.2
216.12555	2.1
228.12688	2.8
233.12943	2.1
242.14095	2.1
243.14987	3.9
247.14464	1.8
252.10707	1.4
257.12897	4.8
265.15500	5.9
269.13077	1.4
271.14481	1.6
275.13947	3.4
277.15561	2.4
284.12296	1.2
287.14053	3.5
289.15512	5.1
304.14240	6.0
309.12646	2.2
312.19830	1.5
312.72144	1.4
313.22873	1.8
316.14221	3.8
325.22894	1.8
330.20779	1.3
331.24179	1.7
339.20819	6.0
343.23666	2.0
347.23358	2.2
357.21829	23.4
358.22299	1.8
359.23322	1.5
364.19470	6.2
369.21783	16.2
375.22900	43.4
376.23108	3.6
378.20776	1.2
387.22891	100.0
388.23236	8.4
401.27826	1.4
417.26599	1.5
419.21976	10.5
421.21661	10.4
465.20667	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41169	0.9
56.44250	1.0
56.98384	0.8
57.03449	10.4
58.00581	1.1
59.01379	51.7
61.98830	100.0
62.98521	2.4
69.03452	1.2
71.01384	23.9
72.99315	1.2
73.02949	3.3
74.02481	2.3
78.91888	3.3
81.03461	3.1
82.56543	1.0
83.01398	3.0
83.05054	1.0
85.02949	5.8
87.00883	2.4
89.02440	28.9
93.04591	3.6
95.01421	1.7
95.05042	1.8
97.02949	1.6
99.00896	1.1
99.04517	9.9
101.02440	16.0
101.07240	2.8
105.01955	0.9
109.01709	1.2
109.02945	1.8
113.02459	10.6
114.68404	1.1
115.08795	1.3
119.03507	10.2
123.04513	2.0
125.02451	25.1
125.06096	1.1
125.09718	18.4
130.08751	11.1
131.03510	2.0
131.04874	1.7
133.02969	5.7
134.03642	2.2
137.02455	1.3
139.03979	1.4
143.03490	2.9
149.04550	1.4
149.09810	2.3
155.10815	5.4
161.04556	6.3
167.03493	20.2
167.10806	5.0
172.10631	0.9
174.82970	0.9
177.01898	2.4
179.05594	11.9
188.11934	6.9
193.01440	1.6
197.04576	4.2
199.09766	2.1
206.13017	5.9
214.15662	1.1
217.10869	2.7
219.96454	1.0
223.15651	1.4
225.14932	7.7
232.10922	5.2
235.02484	3.2
243.16069	1.0
259.11853	5.8
287.07892	1.4
292.67239	0.9
303.08786	4.5
303.14365	4.1
321.01749	1.2
321.15527	3.1
334.18887	3.7
339.07251	1.5
345.06192	6.6
363.16385	1.3
375.06796	1.2
391.20007	0.9
399.25665	1.1
405.21259	28.5
406.21445	3.2
429.27185	5.0
447.18494	1.3
465.09247	2.0
465.19525	6.5
465.28348	19.2
466.10101	1.2
466.28607	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	24.3
69.68277	4.1
69.68649	3.9
71.01377	6.3
89.02467	11.2
101.02436	4.9
113.02453	3.1
119.03514	6.3
121.04803	2.5
150.45152	2.7
188.09586	2.3
279.60059	2.6
405.21057	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03447	95.0
58.03780	1.0
59.01379	100.0
60.01723	0.9
61.98833	6.6
66.30181	0.8
69.29161	3.9
71.01379	16.4
73.02955	8.3
81.03479	1.7
83.01392	4.8
85.02956	9.3
89.02451	3.3
95.01399	1.3
95.58643	0.8
96.96014	1.1
99.00885	2.3
99.04523	81.0
100.04842	1.5
101.02445	35.5
102.02743	0.8
110.02460	1.3
113.02459	7.5
119.03517	1.1
125.02451	25.5
133.02962	1.3
143.03537	2.1
149.04585	1.4
161.04584	3.7
170.03394	0.8
229.14449	6.3
243.07419	0.8
249.04230	0.7
302.72351	0.8
303.13379	0.8
303.18253	1.0
321.19186	19.9
322.19312	1.3
343.04694	1.3
363.20309	4.3
404.93640	0.8
430.14127	1.3
465.27612	28.2
466.27841	1.0
472.64124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	glas#10
Peak:m/z	Relative Intensity
55.01879	3.8
57.03444	4.5
58.00594	1.5
59.01378	100.0
60.01733	0.7
61.98822	4.3
69.03458	0.9
69.23721	1.3
69.24129	2.1
69.51278	0.5
70.92501	0.6
71.01381	82.2
72.01721	1.0
72.99313	1.7
73.02944	19.1
83.01386	6.5
85.02950	23.4
86.00050	0.6
87.00876	6.9
87.85366	0.6
89.02446	79.6
95.01395	5.4
95.13570	0.5
96.96030	0.9
97.02943	2.1
99.00885	4.4
99.04519	2.4
101.02444	64.9
113.02449	37.3
113.03622	0.7
114.02821	0.9
119.03501	32.9
125.02450	6.1
131.03499	10.2
143.03499	12.2
149.04544	3.0
159.02936	2.9
161.04558	27.6
179.05608	60.2
180.05957	1.7
221.06667	24.2
263.07629	2.7
303.17935	1.3
405.88870	0.6
465.23199	19.6
466.23428	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	465.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	4.6
69.16122	2.5
69.16526	7.7
70.35670	1.5
73.02941	27.4
78.95915	1.9
99.00895	2.9
116.92849	11.3
117.01939	100.0
118.02232	2.0
122.21915	1.6
128.72458	1.7
131.08263	4.0
173.10417	3.5
257.82999	1.4
293.09076	1.8
320.39847	1.7
383.40466	1.7
465.17316	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	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03166	1.2
57.03447	20.1
59.01380	78.7
61.98830	9.7
63.39969	0.6
70.47591	0.9
71.01010	1.2
71.01382	15.9
72.99309	0.8
73.02938	8.2
74.02464	0.7
75.00864	1.7
78.03095	0.6
79.45222	0.6
81.03419	0.7
83.01391	4.2
85.02940	10.0
86.00112	1.0
87.00869	1.4
88.04036	0.8
89.02441	4.1
95.01395	1.8
96.96026	1.6
97.09215	0.5
99.00860	2.0
99.04514	17.0
101.02441	20.7
109.02962	0.6
111.00874	1.4
113.02454	7.2
119.03468	1.3
125.02450	6.3
129.01918	0.7
133.02951	1.8
136.07698	1.1
143.03487	1.2
149.02405	0.8
159.02901	0.9
159.67639	0.6
161.04567	3.4
167.03557	0.8
177.01935	1.2
186.39439	0.6
193.01405	1.7
218.86864	0.6
229.14453	4.6
238.96883	0.6
243.19655	1.4
253.09372	1.0
259.14365	0.9
297.03995	0.8
303.13425	1.3
303.21829	1.0
321.19159	3.7
325.03360	0.7
333.19345	0.9
343.04718	1.1
363.20255	0.9
405.25211	1.4
447.25949	3.2
465.27075	100.0
466.27499	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	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67647	0.3
59.01379	4.3
60.01720	0.3
61.98827	100.0
69.34173	0.3
70.83868	0.4
71.01388	0.7
85.03787	0.3
89.02479	0.5
113.02464	0.3
133.87283	0.4
178.03069	0.4
189.98134	0.3
203.24506	0.4
220.88216	0.4
236.79004	0.3
303.90094	0.8
351.09836	0.3
351.15710	0.4
465.95511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98829	100.0
69.83522	0.5
69.83896	0.6
71.01383	0.8
73.04085	0.3
74.02467	0.3
80.01013	0.3
89.02453	1.0
96.00918	0.4
96.96036	0.4
98.21895	0.4
101.02451	0.9
105.01936	0.4
113.03631	0.4
125.02445	0.5
126.90479	0.4
131.09497	0.3
158.37364	0.3
165.02028	0.3
167.03503	0.6
168.03857	0.5
217.01445	0.3
222.92377	0.4
244.21474	0.3
334.41370	0.3
410.33350	0.3
465.95029	0.4
466.20322	0.4
467.18353	0.3
486.71909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64566	5.1
57.56759	4.1
61.98827	100.0
69.16837	29.0
80.26536	4.4
95.02477	4.3
150.18292	4.4
181.44025	4.7
188.35266	4.9
435.01215	4.8
468.65204	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	467.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37444	1.4
59.01374	6.8
61.83341	1.3
61.89606	1.3
61.98817	5.7
67.07448	1.3
68.99812	4.0
69.89613	4.1
70.69272	1.5
71.01382	13.4
72.99318	3.0
73.04076	1.5
74.02516	1.4
74.88630	1.6
75.00877	30.5
75.02580	21.9
78.95898	3.2
79.95720	2.0
83.01392	6.7
85.01017	3.5
85.02950	1.9
86.90108	1.6
87.00854	1.5
87.05621	1.4
89.04179	4.1
89.85570	1.4
93.04568	2.0
96.96009	3.0
98.00097	1.5
99.00877	48.1
100.98814	4.8
103.00365	35.2
105.01926	1.9
105.95815	1.6
110.07240	3.6
111.00832	2.8
112.98812	25.3
115.00377	5.6
117.01954	2.9
126.98805	1.6
127.00331	2.9
127.05087	2.3
128.03519	1.8
128.98302	4.8
129.01923	9.2
129.03654	5.5
142.99947	4.1
145.01422	15.0
154.06206	7.9
157.00037	2.0
157.01431	5.8
157.03117	10.1
159.03078	2.2
171.04709	2.0
173.02608	1.4
175.02477	2.4
185.00970	5.6
185.02573	3.0
189.05820	2.1
201.02110	22.8
215.14018	2.8
217.05202	2.4
229.01634	11.7
233.41154	1.7
260.04449	2.3
261.04214	100.0
262.04584	2.6
346.13043	1.6
449.21439	2.4
467.08521	52.0
467.16064	2.7
467.22983	9.6
468.09048	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97523	3.4
61.98827	8.1
70.66047	3.6
70.66380	5.0
71.75246	3.3
74.06968	3.4
97.04096	21.1
100.00407	100.0
127.11287	6.7
159.05571	4.7
168.03456	3.2
169.06892	5.9
173.07350	3.1
197.04807	3.9
204.35416	3.3
236.11134	4.4
238.08916	6.6
253.15651	10.0
254.12108	7.7
265.15463	4.0
277.15549	14.4
283.11407	4.1
286.21579	4.4
295.11133	32.2
297.14578	8.6
303.13766	6.0
314.21295	8.9
315.24554	4.8
316.23068	4.2
321.14743	5.3
327.10306	5.3
332.22186	7.2
341.22226	13.1
348.19925	9.5
359.23306	23.0
366.21017	15.9
371.23337	71.9
372.23856	5.9
389.24423	33.0
392.18887	19.1
415.22534	4.5
423.23135	12.2
433.23508	6.0
467.22147	81.1
468.22614	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	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	20.0
61.98821	15.7
67.14326	8.1
69.59033	29.7
71.01402	10.1
72.99309	18.9
75.00871	69.1
89.02413	7.4
94.52329	7.6
98.29466	7.0
99.00864	14.1
112.98833	11.3
114.88995	7.0
126.35400	7.0
135.03014	94.8
142.99867	13.0
158.13557	7.4
165.12869	16.1
174.01682	63.8
176.08458	7.5
277.21701	25.0
293.21149	19.7
299.20203	8.8
299.87271	7.2
305.21231	36.7
317.21088	12.2
321.20703	8.3
327.19501	17.9
331.19131	100.0
333.20673	11.4
343.18860	7.8
345.20657	57.6
346.20917	7.9
347.15250	10.4
349.20148	34.4
361.20032	9.8
369.20337	10.7
371.18658	82.8
383.18723	10.3
387.21716	13.7
389.19644	17.1
401.19586	18.0
403.21091	8.2
413.19705	30.0
426.63556	7.3
431.15646	7.6
431.20773	32.1
449.21689	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
59.01380	2.3
61.98828	100.0
71.01389	0.9
73.02954	0.4
74.02470	0.4
78.08503	0.3
85.02972	0.3
89.02484	0.7
99.04514	2.4
101.02436	1.0
113.02450	0.4
116.05046	0.3
125.02477	0.8
130.08791	0.3
148.05289	4.3
163.07628	3.4
175.31754	0.4
203.08270	0.4
307.15665	0.7
348.87775	0.3
401.61722	0.3
405.21368	1.7
468.29031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.49671	0.6
61.98828	1.6
66.51907	0.5
69.13790	3.3
72.72756	0.5
96.95998	0.6
98.21848	0.9
107.05045	1.6
124.64738	0.6
127.05180	0.6
133.02963	2.4
133.03923	0.5
134.03758	3.8
135.04526	100.0
136.04840	2.7
148.05295	1.2
161.02431	8.0
171.02551	0.5
176.03510	0.7
193.05038	1.1
264.17310	0.7
289.15585	8.6
290.15601	1.0
306.18213	11.9
307.18445	0.7
332.16150	39.8
333.16473	1.8
372.86087	0.6
385.55801	0.7
468.21390	47.5
469.21622	3.6
469.33987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0811
Annotation	CHEBI:91206
Peak:m/z	Relative Intensity
58.67045	4.9
59.01374	5.8
61.98817	12.3
69.88011	16.4
79.95742	6.1
82.95398	6.2
83.05012	8.3
96.96000	87.7
97.21004	5.6
97.56818	5.5
99.47959	5.1
106.06998	5.7
134.03729	72.7
135.04465	18.5
137.02437	7.6
144.65929	5.5
149.06053	24.2
178.02701	33.7
193.05066	100.0
193.22348	6.2
221.38667	5.2
226.60335	5.2
247.09204	5.6
262.34402	5.3
468.21417	6.4
469.08060	37.5
469.21524	6.9
469.33960	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	469.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.1
58.76979	1.3
59.01378	7.9
69.34158	6.6
71.01382	13.1
72.99312	2.5
73.02921	1.6
75.00871	97.0
76.01237	1.7
78.95898	5.4
83.01364	2.1
85.02943	5.2
87.00867	4.9
99.00891	7.6
120.87343	1.2
129.01936	13.2
136.95508	1.3
152.99554	3.3
155.18814	1.4
195.00609	2.3
239.32675	1.2
255.23279	14.5
265.19174	1.3
295.47525	1.3
415.28540	1.9
425.34039	1.5
451.24594	8.2
451.30423	2.7
469.31696	100.0
470.32047	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	470.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42907	0.3
59.01372	0.9
61.41045	0.3
64.34574	0.4
68.63746	0.4
71.01389	0.7
85.02964	0.4
89.02464	1.0
93.55135	0.4
101.02456	0.4
121.79255	0.5
128.03537	100.0
129.03871	1.7
179.05540	0.9
294.52277	0.4
341.10815	2.2
446.08786	0.5
455.71060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01379	5.8
61.98796	1.1
62.48535	0.7
69.03456	2.5
71.01382	4.9
71.05020	1.7
73.02949	0.8
83.05016	2.4
85.02949	3.7
85.06550	0.8
89.02471	1.7
94.36860	0.7
97.02946	30.2
97.06542	1.1
101.02451	3.0
109.06562	1.3
111.08124	1.7
113.02448	2.5
119.08645	1.0
125.09682	0.8
127.07622	0.8
137.09720	10.3
148.11700	0.7
159.76575	0.7
167.10716	1.2
171.10280	13.1
177.12874	0.8
195.13901	4.0
211.13261	1.3
221.11838	1.3
221.15405	1.7
223.13406	1.5
239.12846	2.3
239.16605	1.0
247.20676	1.2
250.54764	0.8
273.18497	1.3
291.19641	14.3
309.20700	100.0
310.21030	6.6
333.20724	1.2
351.21927	1.0
471.26056	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	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01373	4.4
60.08918	0.3
69.22126	1.8
71.01382	2.7
73.02940	0.6
83.04990	0.4
85.02944	1.9
85.03403	0.3
85.89951	0.3
89.02463	1.2
95.01394	1.0
97.02953	0.4
97.06598	1.6
101.02454	1.4
113.02446	3.9
113.09722	2.3
115.07639	1.0
119.03513	0.3
121.10263	0.4
125.06091	0.7
126.06837	1.2
139.07709	0.4
139.11292	0.5
141.09229	1.5
151.11264	0.7
161.04547	0.4
163.11214	0.3
165.12845	2.2
167.10782	0.7
167.14445	1.2
181.12314	3.2
183.13937	0.8
193.12312	1.6
193.15894	0.5
195.14018	1.6
211.13400	2.7
213.14880	0.4
221.15500	1.3
240.13701	2.3
241.14487	0.7
247.20682	3.8
263.20230	0.5
265.21680	0.5
273.18625	2.3
281.21252	0.8
289.21652	0.5
291.19647	24.3
292.20007	1.4
295.91708	0.3
309.20709	100.0
310.21078	6.3
323.22134	0.5
333.20663	2.8
351.21851	0.9
471.25961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26289	0.4
56.27509	0.4
57.03428	1.2
59.01380	33.1
61.98828	1.1
67.01888	0.8
69.03462	0.8
69.64995	1.4
71.01380	15.4
72.99319	0.6
73.02953	1.1
77.31879	0.5
83.01381	1.4
83.05021	0.7
85.02948	3.7
87.00848	0.4
89.02443	11.3
93.03440	0.6
95.01389	1.6
95.05029	0.7
97.02946	1.5
101.02451	9.2
110.31579	0.4
111.08132	3.8
113.02438	4.6
117.87115	0.4
119.03492	3.7
119.08646	1.0
125.09691	0.5
137.09724	5.4
167.10802	0.7
171.10272	12.8
177.12878	1.0
179.10793	1.2
185.11824	0.5
195.13898	3.5
211.13373	0.6
229.19609	0.5
247.20663	1.1
273.18604	1.1
291.19656	16.1
292.19925	0.7
309.20688	3.4
362.57623	0.5
371.61475	0.4
453.25015	0.6
471.25961	100.0
472.26282	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	471.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11038	0.7
57.01584	0.8
59.01383	6.5
61.98820	2.8
66.03499	0.7
69.33772	3.2
70.02974	4.8
71.01379	1.3
71.02509	0.8
73.02981	1.0
73.25758	0.7
77.90636	0.7
81.02213	0.9
82.02954	0.9
82.95425	0.8
84.08181	2.0
84.09229	0.6
84.95104	0.7
85.03023	0.6
87.05627	4.1
89.02449	1.3
95.02527	1.3
95.39120	0.6
96.00919	19.8
98.02479	33.5
109.01703	1.6
111.02022	1.5
111.03259	0.7
113.02444	0.9
113.02794	1.1
113.03564	12.6
113.04289	1.1
114.01977	2.3
116.03565	0.7
119.03526	1.4
119.05038	2.1
129.10349	1.8
130.08739	89.9
131.04630	12.1
131.09077	1.5
138.09258	2.0
139.08745	1.3
140.07178	1.3
141.10333	0.6
151.00349	2.5
155.08261	1.9
165.10339	1.4
166.07538	1.3
166.08720	4.6
167.08246	1.3
168.09033	2.2
177.02017	0.6
181.09746	0.7
182.13028	0.7
183.11372	1.9
184.75099	0.6
195.15053	1.3
195.69122	0.7
197.16594	13.4
199.18149	8.6
209.09297	4.6
209.16536	0.8
219.13844	0.7
220.03775	0.9
223.14563	2.4
225.16052	7.4
227.10268	1.1
231.13943	1.1
235.18135	1.1
238.51262	0.8
243.17122	12.6
244.17416	0.7
249.14967	1.3
269.15036	1.2
271.06116	11.9
312.26413	2.0
320.23410	0.9
340.18494	0.8
356.25293	1.6
392.25659	4.0
433.11047	0.8
436.24518	100.0
437.24768	7.6
453.27191	21.9
454.25720	4.8
471.09457	1.2
471.28250	41.9
472.28619	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	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55253	1.1
59.01377	53.1
60.46759	1.0
71.01380	32.3
71.19857	1.4
74.99394	2.0
78.95892	1.8
85.02963	4.1
87.00893	1.4
88.04067	2.2
89.02441	43.9
95.01398	1.2
98.99426	1.3
99.00888	1.3
101.02444	17.4
105.01933	2.6
107.03585	1.5
113.02433	12.3
117.00426	2.6
119.03505	18.2
128.03525	2.4
130.05098	1.8
130.08742	57.0
131.03430	1.7
131.09116	2.8
132.03052	1.2
133.01744	1.1
133.02945	1.8
134.04720	26.3
143.03520	3.2
145.09828	1.4
161.04543	4.5
175.02449	1.1
177.01869	1.5
179.05614	26.6
188.07819	2.4
204.09166	1.4
204.98669	1.4
217.00249	1.5
219.00391	3.1
228.07500	1.3
230.08937	2.0
233.01955	2.7
240.50136	1.5
246.99809	1.5
260.04602	1.3
261.01645	1.5
292.16620	1.9
314.07831	1.7
328.04636	3.0
332.08786	4.6
340.97461	1.8
341.10852	100.0
342.07071	1.3
342.11191	3.7
346.10471	3.5
361.34897	1.2
380.05130	2.9
392.89807	1.3
394.28537	1.1
398.06171	1.6
409.80130	1.2
412.03214	2.8
412.24762	3.6
444.10281	3.7
472.09924	3.1
472.27420	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	473.1091
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.98263	0.3
57.03431	1.2
59.01379	8.5
60.72852	0.3
61.98835	1.8
63.02404	1.1
65.00322	0.5
69.10035	1.3
69.10456	0.9
70.02875	0.3
71.01387	2.4
73.02935	0.8
74.88271	0.3
82.90236	0.3
82.95404	0.3
83.01394	1.6
84.61162	0.3
85.02934	1.0
89.02442	1.5
90.11966	0.3
98.21915	0.9
99.00920	0.3
99.04517	0.5
101.02464	1.7
107.01374	2.4
113.02468	1.3
117.03471	2.2
119.03473	0.7
125.02449	0.9
128.03523	0.8
130.08733	0.6
139.07649	0.8
148.01721	0.5
149.02431	1.0
149.99619	0.8
151.00380	3.5
155.10780	0.8
161.02423	0.5
161.04572	0.9
171.04547	0.9
172.05275	0.9
182.11871	1.4
183.04559	0.8
184.05238	0.6
195.04486	0.4
196.05312	0.9
200.04752	0.7
203.67108	0.3
211.04080	1.7
212.04730	0.9
217.10733	0.4
225.05602	0.4
239.03494	3.4
240.04221	4.6
242.13838	0.5
267.02997	2.0
268.03760	100.0
269.04480	26.3
270.04877	1.0
283.06195	0.5
311.05627	1.2
353.06503	0.4
413.09079	0.5
413.21921	0.6
472.25101	1.9
473.10892	81.6
474.11307	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	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
60.46401	0.1
65.63179	0.1
67.61272	0.1
69.03457	0.2
69.87346	0.4
71.01376	2.7
73.02936	0.2
80.08359	0.1
85.02962	0.4
87.00878	0.4
89.02438	3.9
93.03465	0.2
97.02951	0.3
98.21886	0.2
101.02444	2.5
108.02165	0.6
111.00918	0.2
113.02453	1.5
119.03503	2.2
122.03724	1.1
125.02440	1.7
129.95580	0.2
131.03491	0.4
139.03983	0.2
143.03470	0.6
147.04546	1.1
148.05296	2.5
149.06076	100.0
150.06404	3.0
161.04550	0.5
169.70387	0.1
179.05560	1.4
221.06683	1.4
245.06779	0.2
263.07700	0.6
323.09766	3.0
347.60699	0.1
473.16577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57844	3.9
59.01378	100.0
61.73546	4.5
69.74367	9.9
69.74744	8.2
71.01379	54.3
73.02935	12.6
83.01365	6.3
85.02951	13.3
87.00902	4.9
89.02435	77.3
101.02444	60.5
103.39964	3.9
106.93549	4.3
113.02464	26.4
119.03502	37.9
125.02435	5.4
131.03496	9.3
143.03505	8.3
146.03787	5.4
161.04529	13.6
179.05614	77.7
179.07152	7.5
217.00375	6.2
221.06650	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	85.7
61.98819	5.3
69.11662	14.3
69.12076	11.6
71.01379	68.2
73.02930	12.6
85.02953	9.0
89.01904	4.6
89.02440	100.0
98.21847	7.4
99.00851	10.5
101.02433	46.6
113.02448	8.4
119.03500	6.4
128.03487	4.0
131.03537	24.0
131.04320	4.0
139.36327	4.6
149.04552	73.4
177.05522	5.2
191.05624	11.9
216.35068	4.4
361.56418	4.2
473.16171	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	473.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56007	0.8
53.52243	0.9
61.79184	0.8
64.95726	0.9
68.99823	1.5
69.94466	0.9
70.03834	2.2
71.44878	0.9
74.35810	1.0
78.95895	1.6
81.73835	1.1
95.04964	1.1
97.02923	1.2
99.04523	2.7
109.06581	3.9
111.04520	100.0
112.04834	2.0
123.04507	2.3
123.08179	4.2
125.02441	14.0
125.06084	4.6
131.07144	1.3
135.04564	1.1
137.06071	1.1
137.09731	1.9
138.03287	1.4
139.04015	2.7
149.02422	1.2
150.03180	2.1
152.99641	1.5
153.05551	7.4
163.04085	1.2
165.09203	2.1
177.01945	2.0
178.02635	1.4
179.10893	1.3
192.07936	2.7
193.08705	21.6
193.12317	9.4
195.06648	2.8
205.04980	7.6
208.07401	1.9
211.06212	1.1
219.06635	1.8
220.07376	2.0
223.09750	9.4
235.09755	27.3
236.10089	1.1
237.07693	81.6
237.11336	51.3
238.08081	3.7
238.11673	2.1
249.11337	2.6
251.09293	2.6
261.04144	1.1
284.05386	1.0
291.08673	1.6
361.12976	3.4
385.20157	2.7
429.18921	1.2
471.86282	1.0
473.17603	20.7
473.36862	4.8
474.18356	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	474.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
69.54404	1.2
69.54766	1.3
71.01382	15.4
72.99310	2.4
81.10249	0.5
88.04047	29.8
89.02444	1.5
98.22559	1.1
114.01955	3.9
115.00372	44.6
131.04597	1.0
132.03033	100.0
132.06633	4.4
132.94641	0.7
133.01434	83.6
243.83078	0.6
270.44382	0.6
275.95190	0.5
341.10959	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
69.54404	1.2
69.54766	1.3
71.01382	15.4
72.99310	2.4
81.10249	0.5
88.04047	29.8
89.02444	1.5
98.22559	1.1
114.01955	3.9
115.00372	44.6
131.04597	1.0
132.03033	100.0
132.06633	4.4
132.94641	0.7
133.01434	83.6
243.83078	0.6
270.44382	0.6
275.95190	0.5
341.10959	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22458	5.4
54.44567	5.5
55.01883	6.2
56.54580	5.3
57.86085	6.1
58.00317	5.5
59.01384	54.1
61.98818	8.1
64.66686	6.2
71.01374	37.5
73.02949	8.8
85.02938	11.7
89.02465	27.8
99.00910	10.3
101.02437	35.6
107.05389	6.7
110.31882	6.4
111.04521	20.3
113.02448	19.5
115.07631	39.3
119.03522	8.1
126.09550	5.4
158.11842	12.7
216.77522	7.5
342.34821	7.3
376.16321	8.2
474.23413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89888	1.4
61.98830	3.7
70.33984	2.7
70.34319	1.7
78.95904	9.2
84.24627	1.4
86.59964	1.3
91.37375	1.5
98.57980	1.3
101.04852	1.7
123.09282	1.5
140.01212	2.5
162.83852	1.6
170.18661	1.2
182.03142	1.6
214.04794	2.3
224.19051	1.4
257.94431	1.4
277.21710	100.0
277.50638	1.4
278.22058	4.3
474.26044	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98825	1.6
69.47107	1.1
69.47491	1.4
72.57731	0.6
75.19456	0.6
78.95903	24.1
83.96943	0.6
88.42969	0.6
94.25295	0.5
98.21824	1.0
113.17960	0.6
114.70588	0.5
122.00144	1.3
125.87312	0.7
127.87041	1.4
135.29218	0.5
140.01204	7.0
152.99597	2.4
160.84126	0.7
162.83914	10.3
164.83514	0.8
166.13576	0.5
196.03793	14.3
214.04826	2.9
249.40466	0.6
270.21384	0.6
274.97546	0.6
275.20163	0.7
277.21716	100.0
278.22113	5.0
279.28494	0.6
343.36343	0.6
400.11444	1.1
436.08429	0.9
438.08627	2.6
445.79034	0.6
474.26245	35.9
475.26758	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	475.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46154	0.4
59.01371	1.8
60.55507	0.5
61.94703	0.5
70.57338	0.5
71.01376	15.7
72.99300	3.1
75.00845	0.5
80.85736	0.4
81.67179	0.4
85.54668	0.4
87.17892	0.5
89.02438	3.0
105.01943	1.7
115.00375	40.5
116.00709	0.5
119.03540	0.5
123.90321	0.4
132.94656	2.4
133.01434	100.0
133.05051	3.5
134.01768	1.8
147.04541	0.5
154.75653	0.6
161.02431	2.9
269.07849	0.6
313.07352	0.7
341.10904	1.8
361.77905	0.5
377.08493	1.6
439.28537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36474	0.7
55.10269	0.6
59.01379	0.8
69.44925	3.0
69.92909	0.6
71.00969	0.8
71.01375	16.3
72.99300	4.2
74.00331	0.7
87.00909	0.8
89.02422	2.0
98.22564	1.0
109.02929	0.8
115.00369	43.2
116.00709	0.9
133.01427	100.0
134.01770	1.0
135.04504	1.2
154.06027	1.0
155.58153	0.7
161.02417	3.3
176.61014	0.7
179.03490	0.8
190.02684	0.8
252.95825	1.4
269.08142	2.6
276.45578	0.7
290.60312	0.7
313.07010	1.5
341.08804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24243	0.7
57.03407	0.8
59.01370	6.7
60.99027	0.9
60.99305	14.6
61.98838	5.4
65.63926	0.8
71.01358	3.0
71.44791	1.5
72.66664	0.9
72.99290	2.7
74.02453	1.1
83.74098	0.8
84.70576	0.8
85.02918	1.4
87.00880	1.5
88.04026	1.1
88.98802	100.0
89.02455	4.4
90.03762	0.9
96.96003	1.1
101.02431	2.2
105.01913	2.9
109.02903	1.7
113.02445	1.4
114.05665	1.9
115.00333	1.0
117.03468	1.5
128.03506	2.5
130.08641	1.0
147.04506	1.2
161.04472	1.8
164.07138	0.9
227.85651	1.1
269.04517	1.4
269.08221	1.4
281.04474	1.3
283.06168	7.0
295.02869	1.0
295.06015	1.2
311.05646	9.5
313.07248	2.3
323.05359	1.8
341.06680	4.2
353.06445	1.1
355.07736	2.8
360.19748	1.0
366.56992	0.9
385.09048	1.0
430.23450	0.9
431.09714	2.3
474.26132	1.2
475.08279	10.9
475.22449	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
63.58772	0.9
65.20663	0.9
71.01374	14.4
71.53610	0.8
72.99296	3.3
78.95869	0.8
87.00938	1.0
88.04022	5.5
88.98846	1.0
89.02460	2.7
89.04402	1.3
115.00374	41.1
116.00693	1.2
124.49406	1.0
132.03030	17.9
132.94667	1.7
133.01425	100.0
133.03375	4.4
134.01762	1.3
215.69223	1.0
238.34399	0.9
258.30161	1.0
308.47092	1.1
341.10950	2.4
353.85855	1.0
377.08557	1.2
495.15610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.3
70.03456	1.3
71.01380	14.0
72.99297	5.9
73.70831	0.6
85.62080	0.6
87.00867	0.8
87.04555	0.6
88.30658	0.6
89.02435	3.9
109.66609	0.6
115.00370	41.3
118.50094	0.6
127.36836	0.6
132.03120	0.9
132.94627	0.7
133.01430	100.0
133.05070	2.1
134.01775	1.1
149.65225	0.6
188.97711	0.6
247.00177	0.7
271.98782	0.7
341.10941	1.0
377.08475	1.4
383.69269	0.6
496.51929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	79.8
59.01374	12.0
61.98841	1.6
68.74279	1.2
71.01385	7.0
71.02483	1.2
72.99264	1.3
73.02953	2.2
74.02478	2.8
83.01392	1.4
85.02953	4.4
87.00896	2.1
89.02444	1.7
96.00914	1.7
97.02966	1.2
99.04519	26.5
101.02441	26.3
105.01917	1.4
109.02917	1.8
110.00067	2.6
111.00870	5.3
113.02454	6.0
113.03571	1.8
115.00359	2.2
115.57819	1.3
125.02448	19.0
127.05193	1.6
128.03520	1.4
130.06229	1.9
133.02928	2.6
135.04532	1.6
137.99579	2.8
138.03227	1.4
139.00381	48.5
143.03522	1.4
145.80081	1.2
147.04512	1.2
149.02429	1.4
152.01105	2.4
153.01939	58.4
154.02730	64.8
155.03204	1.5
161.04544	5.0
166.02696	1.9
167.03502	10.1
168.04280	28.9
169.05060	100.0
170.05429	2.9
175.02473	2.8
179.03535	1.6
189.76163	1.4
209.04572	1.7
243.08521	1.5
291.62552	1.1
313.09512	2.3
331.10306	27.0
332.10651	2.5
373.11365	23.3
413.14471	4.7
432.19110	3.3
473.79465	1.3
475.14761	7.8
475.20847	1.7
476.21515	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64701	0.5
59.01373	3.3
60.99302	15.3
61.98816	1.4
71.01382	1.4
87.00877	1.8
88.04015	0.9
88.98804	100.0
89.02441	17.2
96.96023	1.4
99.04552	0.6
105.01936	0.9
115.00393	0.7
116.92831	1.1
131.15887	0.6
135.04541	1.2
150.12262	0.5
160.25809	0.6
161.02530	0.7
257.36612	0.7
313.06714	0.5
353.06714	0.8
355.07257	1.3
367.07333	0.6
385.08160	1.3
431.10431	0.5
475.11740	4.5
475.22437	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99423	0.7
59.01368	2.3
60.99027	0.7
60.99311	13.4
61.02348	0.8
61.93351	0.8
61.98817	1.3
69.55312	1.4
69.55694	1.6
71.01384	1.8
74.02487	1.2
87.00866	1.2
88.04030	1.4
88.98806	100.0
89.02445	10.2
98.21848	1.6
101.02430	1.0
104.08173	0.8
125.37627	0.8
157.85858	0.8
198.88730	0.8
201.77844	0.8
210.35538	0.8
213.20860	1.0
269.08347	0.9
297.07547	0.9
322.20694	0.8
355.07141	1.7
385.08459	1.4
475.11737	6.7
475.21640	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05170	4.7
59.01376	80.3
61.98809	5.8
64.02181	5.3
69.19147	32.8
69.78445	4.6
71.01389	38.1
73.02940	20.7
77.06037	5.3
78.93478	4.8
82.49494	5.6
82.78803	5.2
85.02932	8.5
89.02443	64.8
99.00903	26.5
101.02464	25.0
113.02431	16.0
119.03474	7.8
131.03520	12.5
149.04520	30.2
164.51286	5.4
180.84242	6.0
191.05595	9.3
202.54103	5.0
295.15817	5.6
340.79190	6.5
343.13998	6.2
415.16251	24.6
475.18176	100.0
476.18530	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06198	0.5
54.79365	0.4
57.03445	1.9
59.01381	9.8
60.99309	15.0
61.08550	0.5
61.98835	4.8
63.50943	0.6
71.01381	2.3
71.45070	0.5
87.00878	1.5
88.98808	100.0
89.02444	35.3
99.04556	1.0
101.02460	1.4
113.02424	0.7
159.11467	0.5
161.04553	1.0
222.22884	0.6
242.42876	0.5
254.55199	0.6
259.25992	0.5
282.22284	0.5
297.07486	0.5
365.29111	0.6
415.23624	1.0
468.57700	0.6
475.08481	0.8
475.22302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95243	0.5
57.03444	1.3
59.01378	14.0
61.98824	2.9
71.01377	7.0
72.99299	0.5
73.02922	1.7
82.95434	0.6
83.01376	0.8
83.05013	0.8
85.02946	1.8
87.00865	1.4
89.02451	6.4
95.01404	0.7
97.06558	0.6
99.04529	0.6
101.02439	7.0
104.12434	0.4
107.05073	0.5
113.02448	3.8
119.03503	1.5
121.10180	0.6
132.47037	0.5
159.11775	0.9
161.04514	1.8
175.10988	0.4
177.12845	10.3
195.13892	100.0
196.14252	3.6
203.10759	1.0
221.11830	2.5
235.08122	0.8
239.12872	9.2
253.09291	7.0
415.23196	1.0
475.21823	92.9
476.22083	5.8
502.88193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09345	0.4
51.01483	0.4
54.10567	0.5
54.85640	0.4
57.03436	1.5
59.01376	11.0
61.98833	3.2
69.03437	0.5
70.34012	0.9
70.42229	0.4
71.01385	4.0
72.99307	1.0
73.02930	1.3
75.00851	0.5
75.93645	0.5
78.86565	0.5
83.01389	0.7
83.05002	0.5
85.02958	0.9
85.58620	0.5
87.00890	1.0
87.25648	0.5
89.02460	3.6
95.04993	0.5
97.06567	1.2
101.02443	4.6
113.02440	2.3
118.98144	0.6
119.03484	1.0
159.11783	1.1
161.04552	1.3
176.68289	0.5
177.12842	6.7
178.10991	0.5
184.29845	0.5
195.13892	100.0
196.14267	4.2
203.10803	0.6
221.11771	1.2
235.08199	1.0
239.12883	10.4
240.13261	0.6
253.09285	4.8
313.03976	0.7
475.21826	83.4
476.22018	6.4
476.28555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76227	1.6
55.01901	1.8
57.03449	69.0
59.01379	100.0
60.99310	8.1
61.98831	19.9
69.11769	10.7
71.01384	22.9
72.99294	3.0
73.02946	14.2
75.00871	1.9
78.91889	5.9
81.03467	1.8
83.01370	4.2
85.02918	8.8
87.00880	3.0
88.04037	10.8
88.98804	51.8
89.02441	25.4
95.01383	1.8
99.00900	1.8
99.04515	66.2
100.04839	2.0
101.02439	34.4
105.01924	6.9
105.92478	1.6
113.02448	10.2
115.00339	8.9
116.92872	3.8
117.03475	4.5
118.03818	2.1
119.03500	4.5
123.04518	2.8
125.02454	22.8
128.03499	1.4
130.08734	2.8
131.03571	2.1
135.98367	3.4
143.03481	4.7
147.04468	1.5
149.04539	2.0
154.60510	1.6
155.08176	1.7
157.13446	1.8
161.02472	2.8
161.04584	8.7
162.02820	2.3
165.16130	1.6
172.95029	1.6
173.13414	3.7
179.05647	3.1
188.08118	1.6
191.14197	1.7
221.06511	1.8
235.13335	2.7
242.25931	1.7
253.14424	24.2
267.12259	3.1
281.04416	2.1
283.05951	5.1
285.06686	4.2
296.06421	1.7
297.07480	4.4
298.08008	2.5
299.08136	6.4
306.07867	1.7
311.05609	5.5
312.06012	8.3
313.06293	12.6
325.06720	2.1
327.07983	3.0
331.17477	7.3
343.07462	1.9
353.06271	3.3
354.06863	3.3
355.07211	11.3
356.21811	4.3
360.15680	4.1
373.18597	1.9
385.08160	7.5
415.23257	3.4
454.50287	1.8
475.11508	39.2
475.21078	10.3
476.26129	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	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03446	88.0
58.03773	1.3
59.01379	100.0
61.98830	9.2
65.73276	0.7
69.42449	3.4
71.01014	1.6
71.01379	21.8
72.99288	1.8
73.02941	9.0
81.03440	1.3
82.95404	3.1
83.01379	3.3
85.02943	7.0
87.00890	1.6
88.98807	1.5
89.02439	14.2
95.01379	1.1
99.00867	2.6
99.04519	83.1
100.04848	1.8
101.02441	34.5
105.01973	1.9
113.02453	9.8
119.03522	5.5
123.04468	2.3
125.02447	32.9
135.98328	1.8
137.53105	0.9
143.03487	3.4
145.02942	0.8
159.03038	1.0
161.02449	1.2
161.04561	6.4
179.05652	4.1
192.82843	0.8
204.59608	0.9
225.02109	0.9
252.27721	0.8
253.14478	1.7
277.14413	1.2
285.03973	3.1
295.06125	2.9
297.07864	1.2
301.63205	0.9
313.16336	1.4
316.10968	0.9
323.05539	3.8
331.17627	13.9
353.06506	1.1
355.08124	1.9
373.18588	5.7
413.21741	1.5
415.23117	1.6
439.21603	1.2
441.26379	0.8
443.09662	2.0
468.73212	1.0
475.12485	3.4
475.21786	13.5
475.28931	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03448	84.5
57.93628	0.5
58.03784	0.9
59.01380	100.0
61.04171	0.5
61.98827	2.0
71.01380	18.9
72.99310	0.7
73.02943	10.5
81.03450	1.8
83.01381	3.1
85.02949	3.7
87.00874	1.4
88.98809	0.6
89.02446	17.5
95.01395	1.0
97.74709	0.5
99.04519	80.3
100.04868	1.2
101.02443	33.4
113.02460	8.9
113.06056	0.9
119.03500	7.4
119.04807	0.5
120.88728	0.4
123.04527	3.2
125.02449	26.3
126.02745	1.1
130.08749	0.7
131.03520	1.1
141.05513	0.6
143.03510	4.6
149.04538	1.1
156.57507	0.6
159.81595	0.6
161.04591	4.4
179.05669	4.0
229.04257	0.6
278.63422	0.6
289.69058	0.5
313.16510	1.9
331.17654	8.3
332.17783	0.7
345.73276	0.5
350.70685	0.5
373.18753	5.5
413.21701	1.1
415.23129	1.2
475.21576	11.2
475.28635	2.8
476.22443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25298	63.9
69.34496	10.7
89.45238	10.7
98.22715	25.7
113.89350	11.6
269.01544	15.6
277.21729	100.0
279.23364	70.6
357.98083	15.4
475.24252	15.6
480.48691	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87831	1.7
55.01849	2.4
57.03445	18.0
59.01377	100.0
61.98827	19.4
71.01376	38.4
72.50512	2.0
73.02953	9.6
75.00873	2.2
82.95396	2.4
83.01368	3.5
85.02956	12.7
87.00874	2.4
88.98852	4.3
89.02446	36.7
95.01378	2.7
97.06509	2.1
99.00892	3.8
99.04517	15.8
101.02437	29.1
111.04518	3.2
113.02452	16.8
113.03580	2.3
115.07642	9.6
116.07980	3.7
119.03481	17.3
125.02445	6.6
137.02420	3.3
143.03429	2.4
161.04518	10.4
179.05580	6.2
209.91121	2.5
220.76987	2.0
265.42505	2.0
267.16037	2.4
331.17633	5.2
359.15045	2.0
373.18933	2.3
415.23346	36.2
459.21555	2.2
475.23587	21.6
475.30432	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	475.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77505	4.3
59.01383	8.8
59.73711	4.6
69.16365	27.8
71.01374	6.2
77.74277	4.6
78.95904	15.0
90.02497	4.8
93.44073	5.0
98.21942	8.2
113.02438	7.4
223.09576	4.7
239.09245	7.9
272.17569	5.4
277.21725	61.1
279.23306	100.0
319.22714	13.4
333.34036	5.4
475.24408	23.8
476.27383	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37560	0.5
62.66377	0.7
68.55991	0.5
69.77676	0.6
78.95905	21.3
96.54491	0.7
96.96983	0.5
97.58736	0.6
98.22302	0.8
122.00110	1.2
124.84959	0.6
137.91861	0.6
140.01202	6.0
142.34195	0.6
146.79326	0.5
152.99570	1.9
170.86617	0.5
171.00568	1.0
196.03815	10.5
214.04829	3.0
243.92587	0.7
279.23288	100.0
280.23596	4.6
476.27826	33.5
477.28339	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
76.32613	0.4
78.95903	11.8
84.24978	0.4
91.15165	0.4
98.22158	0.7
126.55298	0.4
134.90675	0.4
140.01152	2.1
152.99582	1.7
154.13428	0.4
161.40775	0.4
162.23421	0.4
171.00612	0.9
183.70659	0.4
193.01993	0.4
196.03760	0.8
196.12109	0.4
214.04836	2.6
253.75308	0.5
261.22253	0.5
279.23288	100.0
280.23627	5.6
401.05963	0.5
476.27817	16.9
477.27948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	6.7
59.01374	7.6
64.66384	1.2
71.01380	6.2
82.02959	1.3
83.01368	2.5
89.02441	52.6
100.04037	23.7
101.02444	4.1
112.04045	3.4
119.03482	1.8
125.02426	2.4
128.03513	1.1
138.05609	1.4
142.05135	2.0
146.12071	1.1
154.05075	1.2
166.05072	2.4
184.06158	3.9
186.69244	1.2
202.07271	1.6
256.08298	5.1
263.64322	1.3
274.09332	11.4
316.72800	1.2
477.17245	100.0
478.17624	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	477.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89317	2.5
57.03448	2.4
59.01378	100.0
70.99975	2.7
71.01017	4.0
71.01382	53.2
72.99270	3.1
73.02939	3.6
75.00864	5.4
85.02934	7.8
85.75175	1.9
87.00867	4.7
89.02446	66.7
94.48163	1.9
95.01438	2.2
96.95994	6.5
101.02448	28.5
113.02458	20.0
115.00349	3.5
119.03503	26.0
133.01414	8.0
133.03024	2.1
134.01733	2.9
135.03000	14.7
135.04546	2.5
139.07663	7.4
143.03526	4.8
149.04573	2.9
149.06050	2.4
161.02495	11.7
161.04497	7.6
165.09117	2.1
168.50424	2.3
174.06883	2.0
179.05649	16.4
189.09190	15.1
192.07889	3.8
193.47473	2.1
207.10291	17.0
232.64108	2.2
237.11316	7.5
255.12415	3.5
341.08740	3.1
357.21567	2.2
417.17657	40.7
418.17783	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.58745	4.1
70.81572	8.3
71.01384	42.5
76.21218	4.4
89.02420	11.8
99.00865	8.7
101.02456	8.5
121.10292	5.4
160.84200	29.8
165.09148	6.4
173.57095	4.1
183.10229	4.4
212.66023	4.5
239.39178	4.5
241.14459	13.0
288.58340	4.1
295.15622	4.2
385.18604	32.0
386.18503	5.0
477.20154	28.1
477.26169	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45009	0.8
55.01869	1.4
57.03448	90.9
59.01378	100.0
61.98827	8.7
63.11910	1.0
67.73506	0.8
69.16926	2.9
69.17337	2.4
71.01382	18.2
73.02956	6.2
75.00838	1.5
81.03456	2.1
83.01388	3.7
85.02945	9.5
87.00872	1.3
89.02452	3.1
95.01385	1.3
99.00886	2.7
99.04517	82.5
101.02441	35.0
111.00915	0.9
113.02444	6.4
119.03505	1.5
125.02451	27.2
130.08766	1.9
135.04515	1.2
143.03500	3.1
144.14070	0.9
159.03046	1.7
161.04579	6.2
175.67989	1.3
224.83484	0.9
224.92181	1.0
238.02171	0.9
284.94336	1.7
288.69629	0.9
290.73856	1.1
315.18060	2.4
333.19174	22.1
343.21201	2.6
375.20221	5.5
417.24841	3.5
441.27139	1.1
442.37476	1.0
477.22977	9.8
478.23865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64138	0.8
55.01875	8.5
57.03449	17.1
58.00608	0.9
58.06278	0.7
59.01379	80.0
61.98824	3.3
69.03464	0.9
71.01381	93.8
72.99306	2.5
73.02945	34.7
75.00873	6.0
81.03434	1.1
83.01385	15.8
84.02171	0.8
85.02950	41.3
87.00883	3.3
89.02440	33.3
95.01400	6.1
97.02948	2.0
99.00894	9.0
99.04515	12.8
101.02443	100.0
102.02790	1.4
113.02445	39.1
119.03503	13.0
123.04542	2.3
125.02447	6.9
129.01959	1.7
131.03532	2.8
143.03490	8.4
149.04602	1.6
159.02945	5.1
161.04549	47.9
162.04898	1.5
173.46037	0.9
179.05618	5.6
245.01195	0.9
315.18097	40.9
315.25366	1.9
316.18420	1.8
432.31824	1.0
477.23520	52.0
477.30566	9.9
478.23862	3.6
481.44839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03446	100.0
58.03792	0.6
59.01376	74.1
59.64378	0.4
60.01727	0.5
61.98828	1.5
69.03439	1.2
71.01379	24.7
72.72000	0.4
72.99306	0.5
73.02943	38.8
75.00880	1.1
76.82867	0.4
79.05521	2.5
81.03457	3.4
83.01384	8.7
85.02952	6.1
87.00865	1.2
89.02443	14.3
95.01395	2.2
95.05032	1.4
97.02964	1.0
97.06596	2.6
99.04517	81.0
100.04855	0.9
101.02439	49.6
102.02778	0.8
108.02152	1.0
109.06567	1.6
111.04545	0.5
113.02446	20.7
113.05485	0.5
113.06092	4.8
119.03496	7.5
123.04522	24.0
124.04832	0.7
125.02442	34.4
126.02771	1.0
131.03499	2.9
139.03886	0.5
141.05592	4.1
143.03499	6.9
149.04561	5.4
153.05577	4.3
155.03531	0.9
161.04552	14.0
179.05594	4.3
183.06671	1.1
198.12024	0.4
201.07890	0.5
203.05580	1.2
212.40825	0.5
221.06572	1.6
263.07581	1.8
279.90988	0.5
323.09647	1.5
362.16348	0.5
457.10388	0.5
477.23282	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	87.6
59.01381	100.0
59.29361	1.4
61.98829	50.6
71.01383	21.0
72.01708	1.9
73.02937	8.0
75.00874	6.1
78.95917	4.0
83.01392	3.7
83.04992	1.6
85.02953	10.3
87.00891	2.2
89.02454	8.0
96.96935	2.0
99.00891	3.2
99.04521	75.2
99.05182	3.6
100.04866	1.6
101.02444	33.4
105.01936	1.9
111.64062	1.4
113.02473	8.7
119.03503	3.0
125.02451	23.3
130.08733	2.3
141.28806	1.9
161.04544	2.6
300.02582	2.8
315.04996	2.5
315.18021	2.2
333.19122	18.4
343.21304	2.5
375.20056	4.8
389.25406	4.8
417.21152	3.1
477.22238	8.0
477.29605	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2349
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
52.32772	2.4
55.92844	2.6
56.97702	2.5
57.03440	5.7
59.01383	60.6
60.99308	9.9
61.76534	2.7
61.98826	21.6
68.31144	2.6
71.01384	33.8
71.44688	2.7
72.99307	47.3
74.02476	3.7
75.00886	6.8
83.01381	3.3
85.02943	5.9
87.00868	5.3
88.04045	34.8
88.98804	69.9
89.02446	29.2
90.99200	5.3
91.00373	7.4
96.95994	3.3
99.00896	3.8
99.04530	3.4
101.02460	8.9
110.50834	2.3
112.14583	2.1
113.02442	5.0
113.03620	2.2
113.07209	3.7
114.05608	4.7
115.00383	36.5
115.08783	36.1
116.07197	7.7
119.03530	4.5
120.07480	2.3
125.02448	4.2
125.07200	2.6
128.03551	4.4
130.08710	2.4
131.05029	3.1
132.03029	21.1
133.02930	3.2
137.02533	5.8
139.07718	4.7
148.07632	2.5
150.90668	2.4
153.07838	3.4
161.04486	4.7
179.03508	4.1
179.05635	3.1
179.22456	2.2
187.10947	2.6
199.79768	2.4
202.12428	6.9
227.11899	11.4
228.10364	2.9
245.12943	38.5
262.15778	2.7
279.12482	8.4
315.14453	6.2
343.21378	6.3
361.22427	28.9
362.20755	30.9
433.24579	13.1
477.23691	100.0
478.23904	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	477.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42325	6.5
53.09972	7.3
53.55442	8.6
61.98850	8.5
69.25036	40.5
78.95898	70.3
96.86571	6.8
97.92883	7.1
108.59544	7.5
113.09441	7.5
125.25795	7.7
138.07053	8.6
141.81024	8.0
152.99576	17.2
171.00668	15.2
205.27397	8.3
279.23331	100.0
280.23395	9.7
281.24716	18.3
366.46799	9.4
377.97147	8.3
428.60510	7.7
430.39618	9.6
477.26944	9.6
478.29449	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03442	0.7
59.01377	12.3
61.98823	3.9
65.79811	0.5
70.64878	0.7
71.01379	8.2
72.99290	0.6
73.02930	1.3
75.00865	0.7
83.01376	1.4
85.02944	3.3
87.00874	0.9
89.02425	2.7
90.80115	0.6
97.92309	0.6
99.49769	0.5
101.02467	4.7
111.00900	0.6
113.02454	2.4
133.31111	0.7
137.19952	0.5
205.58101	0.6
217.57262	0.6
297.24393	5.0
301.29620	0.5
313.23987	0.8
315.25400	23.8
316.25742	1.1
385.72626	0.6
459.29550	1.1
477.30676	100.0
478.31055	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	478.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53502	0.2
54.75667	0.2
57.03437	0.4
59.01381	0.9
61.98829	100.0
62.25534	0.3
71.01392	0.6
73.02988	0.3
73.04854	0.2
89.02471	0.5
98.21886	0.6
99.04506	0.4
101.02462	0.5
103.88864	0.3
120.99696	0.5
184.61702	0.3
191.03696	0.3
196.14360	0.4
204.04253	0.4
205.05006	1.2
242.52153	0.2
358.42947	0.3
367.23209	0.3
477.22418	0.3
477.30200	0.8
478.24054	0.3
478.30872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98533	2.3
57.03453	5.6
59.01374	17.5
61.98830	100.0
66.50249	2.1
69.27576	9.9
71.01385	8.6
73.02920	3.6
89.02437	4.0
99.04512	6.3
101.02442	6.5
106.06633	3.1
109.02982	2.6
145.02989	17.9
146.03693	3.8
159.04451	3.1
204.04250	5.5
205.05095	10.5
219.06633	13.8
229.01343	2.6
247.06091	3.6
253.14436	2.2
275.99612	2.6
312.75613	2.1
315.18192	4.5
317.11612	4.3
358.30811	1.9
371.11356	24.1
372.11731	2.9
383.07779	3.1
383.16229	2.4
415.10226	15.0
474.04248	2.4
477.27969	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	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01379	1.1
61.98830	100.0
63.02416	1.0
63.54667	1.1
71.42780	1.6
71.99799	1.1
107.30112	1.1
124.01616	1.6
125.02451	8.9
151.00304	1.5
152.01163	4.1
161.43945	1.1
269.54144	1.1
289.07199	6.9
317.06494	6.0
334.17441	1.1
337.13885	1.1
354.43497	1.2
359.30234	1.2
411.14206	1.2
433.73282	1.2
479.11975	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	478.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	12.1
58.77878	3.2
58.84063	4.2
59.01379	100.0
61.98828	56.3
69.29297	3.5
70.10189	3.3
70.10497	6.5
71.01382	55.3
73.02934	23.7
85.00414	4.1
85.02927	6.9
85.09225	3.4
89.02446	94.9
99.00885	21.6
99.04520	4.9
101.02432	42.0
101.65220	3.4
113.02450	11.1
119.03531	11.3
119.04996	4.1
125.02424	8.0
131.03526	12.8
149.04562	62.4
149.05814	4.6
161.04590	6.1
179.05746	4.3
191.05647	11.2
209.08064	3.8
221.06744	5.1
251.07802	6.7
435.22388	83.5
478.29352	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	478.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02880	0.9
59.01391	1.1
61.98829	100.0
62.14486	0.7
67.65961	0.8
69.12701	2.3
69.13107	2.5
80.05045	1.0
98.74300	0.8
108.62915	0.8
125.03040	0.9
134.72354	0.9
349.66080	0.9
424.24768	0.9
433.79099	0.9
440.30161	1.1
474.08835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98394	0.5
78.95423	1.0
78.95897	20.5
79.70779	0.4
122.00172	0.5
134.98524	0.6
140.01167	4.9
152.99611	2.0
171.00616	0.5
196.03789	8.9
214.04880	2.2
234.05014	0.5
281.24847	100.0
282.25226	4.8
478.29358	36.5
479.29858	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50834	0.6
63.13626	0.7
78.95911	9.8
79.78619	0.7
83.03484	0.7
94.52671	0.7
140.01207	2.0
152.99591	1.2
157.17851	0.7
171.00626	1.6
189.65717	0.8
196.03784	1.3
214.04922	3.4
251.20100	2.3
255.23459	0.8
281.24878	100.0
282.25183	3.8
387.40707	0.9
478.29434	16.2
479.29987	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	479.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81688	12.1
59.01374	57.3
59.65725	8.9
63.09399	9.7
67.25282	10.7
71.01380	42.8
73.02956	10.4
77.02239	9.6
89.02425	48.3
98.22634	23.0
99.00879	28.0
99.86282	11.1
101.02398	12.9
107.65026	9.8
120.99623	43.7
125.02451	17.6
132.49370	9.9
134.03758	14.7
139.91896	11.4
146.39095	10.1
149.04584	11.7
149.05966	16.1
233.06693	25.4
263.56543	10.4
293.08777	79.7
299.05731	10.7
479.13205	36.3
479.21225	100.0
494.38553	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	479.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	22.6
59.01381	41.2
61.98827	76.8
69.41766	6.8
69.42138	14.5
71.01381	17.9
73.02947	74.5
78.95911	12.5
81.33776	3.8
82.95406	11.7
83.01373	4.5
83.05038	10.1
85.02934	6.3
88.98807	13.8
89.02457	15.1
95.05044	5.3
96.96021	17.0
98.21899	7.7
99.04520	6.6
101.02454	18.7
113.02425	10.4
113.51843	3.4
120.99665	7.0
125.02416	4.5
125.06097	19.2
130.06261	4.7
131.03488	3.4
141.67212	3.6
145.02979	5.8
145.10287	4.3
152.99585	8.4
161.04568	5.7
161.09735	8.1
163.11319	8.6
175.05243	3.5
187.11230	17.7
197.02213	6.6
205.12329	8.2
207.10269	37.2
211.13383	4.5
220.07158	3.4
239.97037	3.3
246.59351	3.4
248.06493	4.5
249.11343	8.5
263.12866	15.0
281.13925	100.0
282.14392	4.4
372.11624	10.4
384.07761	4.8
416.10327	8.3
433.20822	6.6
479.15686	17.4
479.31946	14.2
498.03229	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	479.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07150	5.6
56.10450	5.0
57.03440	21.2
57.95121	6.5
59.01379	64.2
61.98537	9.8
61.98830	100.0
69.15303	10.8
69.15709	27.4
70.03017	6.5
71.01396	11.0
73.02945	42.9
73.04021	6.0
85.02966	8.0
89.02440	7.2
98.21848	9.1
99.04523	20.1
101.02442	16.5
125.02416	13.0
130.08742	7.5
144.07813	8.3
186.08784	16.4
207.10236	7.9
211.14410	8.5
281.13873	67.3
282.10483	6.7
335.20844	8.2
413.23941	12.1
443.25146	9.7
487.98413	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	479.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13412	1.7
54.17575	1.7
55.17765	1.6
57.03442	22.1
59.01379	32.4
61.98826	34.7
63.15526	1.7
67.76531	1.6
69.14680	11.7
71.01379	5.7
73.02937	36.1
83.04990	1.7
83.72790	1.7
85.02940	2.0
87.00878	4.1
89.02437	5.3
95.05009	3.6
99.00916	2.1
99.04508	16.8
101.02452	9.0
113.02461	3.6
120.99597	3.6
124.04261	1.7
125.02425	4.9
125.06075	2.5
161.09691	2.2
175.02635	1.7
185.11887	3.3
187.11266	13.7
197.02188	2.3
205.12396	6.4
207.10242	12.8
219.13988	2.3
231.10239	2.5
233.47733	1.7
249.11298	5.0
263.12912	10.9
271.19110	3.7
281.13928	100.0
282.14255	3.7
335.20718	3.0
411.52182	1.7
475.69812	1.9
479.21356	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	100.0
59.01376	92.9
61.98812	5.7
66.16589	1.6
67.75941	1.5
69.13931	11.3
69.63113	1.5
71.01379	34.8
73.02939	29.1
73.04066	2.5
74.02471	3.6
75.00887	1.9
81.03448	9.0
83.01380	10.3
85.02930	8.4
88.98806	1.7
89.02447	22.8
95.01362	2.8
95.05042	3.4
96.00934	2.2
96.96009	2.1
97.02969	2.4
99.04517	84.7
101.02443	51.6
101.04633	1.8
113.02448	22.3
113.03577	8.3
113.06100	3.4
119.03494	11.4
119.05066	2.2
123.04518	19.2
125.02441	48.4
126.02778	2.0
127.05126	1.8
130.08731	5.9
131.03499	5.3
137.02438	3.8
141.05577	3.8
143.03477	6.0
143.04567	2.3
147.04459	3.8
149.04529	6.0
161.04556	14.5
164.07188	2.3
167.03493	42.8
177.03365	5.3
179.03510	1.7
179.04143	1.6
179.05614	15.4
197.04538	7.8
209.04568	2.6
221.06659	3.6
269.06628	1.8
278.65353	1.8
279.91135	1.7
287.07672	2.9
317.16077	9.4
335.17065	13.5
359.07715	9.2
377.18051	6.0
444.17847	6.0
461.20593	2.6
479.21078	26.0
497.48724	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38761	0.4
57.03432	1.8
59.01380	6.2
61.98837	5.7
69.15244	3.1
71.01385	3.9
71.05025	1.3
71.94608	0.5
73.02930	1.2
74.02485	2.5
74.13251	0.4
75.00874	0.5
75.02804	0.4
83.01387	0.6
83.05028	0.6
85.02954	1.1
89.02445	2.3
96.95983	0.5
97.02953	2.9
97.06590	1.4
99.00881	21.0
99.04538	1.2
101.02454	2.2
109.06538	0.6
110.03734	1.0
113.02448	1.9
120.99633	0.5
122.06317	0.5
123.08146	1.0
125.02485	2.7
125.09725	4.8
130.08705	1.0
136.05363	0.5
147.04535	0.6
155.14470	0.6
161.04547	0.7
163.11295	4.7
167.03421	0.5
181.12367	11.3
193.01398	0.7
197.11708	0.6
199.13431	5.5
207.10260	20.9
208.10532	1.0
225.11317	45.3
226.11670	2.3
243.12367	34.8
244.12611	1.2
253.09256	0.9
317.06641	0.5
317.16144	1.2
317.19516	0.5
461.20261	1.2
479.21286	100.0
479.26578	3.9
480.21671	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	479.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42587	2.6
61.98838	5.8
62.69810	2.8
66.21848	2.8
71.01375	26.8
71.02510	4.5
73.04070	11.0
88.04033	19.6
101.96937	3.2
103.05104	4.1
113.06463	2.8
115.00374	30.6
116.05054	5.1
129.10320	15.1
132.03001	16.1
146.06136	4.2
164.07112	5.5
167.05724	4.8
167.10620	2.8
168.11493	2.9
186.12463	39.1
207.18118	2.7
224.12749	6.3
225.11313	3.6
241.13359	3.8
243.12502	3.7
254.16068	3.7
258.16119	3.4
303.76501	3.0
315.18237	22.8
333.19266	21.0
363.20386	26.0
364.18631	37.1
435.22141	7.5
479.21381	100.0
480.21899	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00190	0.6
54.67763	0.6
55.01871	1.1
57.03423	2.7
59.01377	10.7
59.50806	0.6
61.98823	1.2
63.30076	0.6
69.67978	1.5
69.68324	1.2
71.01387	6.6
71.05027	1.5
73.02933	1.0
73.04052	1.1
74.02452	1.0
83.01373	1.6
83.04979	0.6
85.02938	1.1
88.04034	1.4
89.02453	4.3
97.02920	1.9
97.06576	1.0
99.00277	1.1
99.00880	19.1
99.04533	0.8
99.17738	0.5
101.02438	5.0
110.03687	0.7
113.02429	1.6
115.00332	2.5
119.03463	0.9
125.02436	10.2
125.09693	5.2
127.72207	0.6
129.10297	0.8
130.08690	1.0
132.03023	1.1
147.04451	0.9
155.14284	0.7
161.04486	1.1
163.11311	4.5
164.07120	1.5
165.02654	0.5
169.09752	1.0
179.05553	1.0
179.10634	0.7
181.10991	0.8
181.12357	8.7
186.12480	3.1
196.05112	0.6
197.11771	0.8
199.13373	6.0
207.10245	17.7
225.11316	36.4
243.12361	25.2
243.14842	1.0
253.09167	1.0
283.19073	0.6
299.09467	0.8
299.78458	0.6
315.18143	1.2
317.16068	0.7
317.19592	1.2
333.19266	1.5
363.20221	1.5
364.18774	2.5
435.22604	1.0
444.17636	1.1
461.19766	1.0
479.21164	100.0
480.21658	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.9
59.01377	12.2
61.98813	3.1
66.64719	0.8
67.80693	0.9
69.08077	6.8
71.01378	7.5
71.05014	3.1
72.99299	4.4
73.02954	1.2
75.00866	1.2
85.02930	1.2
88.98807	2.3
89.02431	6.3
89.12365	0.9
90.99203	1.1
97.02941	3.1
97.06582	1.0
99.00873	13.2
99.04511	3.3
101.02439	6.8
109.01659	0.9
109.06574	1.4
113.02444	2.5
115.00389	1.1
115.89968	0.9
119.03452	1.2
123.08237	1.0
125.02428	1.5
125.09698	3.7
129.10370	1.0
132.02977	1.0
136.05208	1.1
159.68144	1.0
161.04500	1.8
163.11244	6.3
170.00969	1.0
180.37663	0.9
181.12323	13.5
193.35812	0.9
199.13400	10.2
207.10268	21.1
225.11296	33.8
243.12350	22.6
243.14832	1.2
244.12627	1.0
253.09232	2.0
255.11377	1.9
273.12363	2.4
317.11426	1.3
317.15897	1.3
335.17038	1.6
359.12589	1.0
363.20035	1.0
443.28915	1.3
461.20242	1.5
479.21292	100.0
480.21439	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	480.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29486	0.1
78.95904	19.1
80.93852	0.1
96.96937	0.2
109.32579	0.1
122.98554	0.2
134.98553	0.2
152.99590	2.2
156.86249	0.1
160.86148	0.1
168.04324	2.7
171.00514	0.2
193.29918	0.1
194.05826	0.1
224.06937	8.2
225.07191	0.2
242.07977	1.8
253.21719	0.2
255.23288	100.0
256.23630	5.5
270.43008	0.1
283.25467	0.3
480.30957	29.3
481.31302	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	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98819	4.5
62.29892	1.2
69.20883	7.3
78.95905	15.4
118.95937	1.3
132.05206	1.2
137.14626	1.2
140.01192	3.9
152.99586	2.1
161.10974	1.4
175.33118	1.5
196.03870	7.6
211.10724	1.2
214.04848	2.2
235.77147	1.3
279.09085	1.2
283.26413	100.0
284.26712	4.9
480.30948	30.7
481.31180	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	481.1001
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.66795	0.6
59.01380	6.2
61.98817	1.2
63.54662	0.6
65.39694	0.7
68.99804	1.8
70.26089	0.9
70.26425	1.5
71.01373	3.2
72.99300	2.8
75.00871	28.0
75.02573	1.8
78.95895	1.0
83.01381	1.1
84.00127	0.7
87.00880	0.8
89.02440	1.2
89.04181	0.9
94.05792	0.6
96.96006	0.7
99.00876	5.8
100.98824	4.3
101.02445	1.5
103.00370	17.7
105.01894	0.8
112.98815	3.9
113.00491	0.8
115.00359	1.6
124.98816	0.6
127.05089	0.7
127.97540	1.1
129.03636	1.4
133.02954	1.3
134.04774	1.4
141.01691	1.8
142.99852	2.5
143.01569	0.9
145.01411	2.2
157.01428	1.9
157.03270	0.8
171.01123	1.7
173.01025	0.9
175.02469	4.8
187.02446	1.3
187.10818	0.7
201.02122	1.8
213.12445	1.0
214.14580	1.6
261.04184	1.6
263.05753	4.4
275.05554	0.8
333.02707	1.9
333.06299	10.5
389.05383	2.0
421.07803	1.0
449.07251	1.2
481.10077	100.0
482.10684	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	481.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.7
58.36423	1.5
59.01375	28.6
59.06012	1.7
61.98830	12.0
70.02985	2.2
70.37869	1.3
70.80466	2.1
71.01380	31.2
72.99291	1.9
73.02956	2.7
75.00890	1.9
78.95880	2.0
81.74221	1.5
85.02952	6.5
89.02446	18.0
96.99302	3.7
99.00872	3.4
101.02445	10.2
106.06614	1.6
109.02902	2.0
113.00661	1.4
113.02438	6.7
113.03369	1.5
114.01949	9.3
115.00410	1.8
119.03522	2.8
119.05043	2.0
120.99640	2.2
122.06149	2.9
124.07671	5.4
125.02541	1.7
128.03528	3.7
129.01952	31.4
130.08766	2.5
131.03603	1.7
132.04544	7.5
136.07681	4.3
137.02466	2.7
139.04056	3.5
144.04558	3.7
146.04590	4.6
146.06110	24.1
149.04565	9.0
151.00366	2.4
152.33868	1.5
155.08252	1.8
161.04604	2.0
162.05556	3.4
164.07130	2.1
167.03459	2.5
169.09752	2.0
172.04048	7.6
189.06706	100.0
190.06955	2.3
191.05634	2.8
199.08762	1.9
200.07231	1.8
200.09496	1.7
212.09526	2.7
214.11058	4.8
215.11769	8.8
218.11873	2.6
226.11029	4.8
227.11884	22.7
229.13432	19.1
239.11983	3.4
242.10641	3.0
243.07692	7.7
255.11606	2.1
257.12918	35.2
259.10773	4.2
268.12180	1.9
275.14047	7.4
287.06760	12.2
301.11920	14.4
315.13403	4.4
319.09305	19.0
319.12885	87.7
320.13217	3.7
343.12961	6.9
345.08319	1.7
351.11932	13.9
361.14056	24.9
421.20905	3.0
449.12152	17.1
463.17337	1.9
481.14191	48.5
481.22479	6.0
482.14697	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62554	0.8
58.52863	0.9
59.01378	8.1
61.98821	1.1
69.03439	0.9
69.48356	3.4
71.01384	4.7
78.77267	0.9
85.02943	1.3
86.33136	0.7
89.02448	3.5
94.06688	0.9
98.21841	1.5
101.02441	2.3
106.06613	1.6
109.02976	1.8
113.02433	1.8
115.00426	1.2
118.95867	0.8
120.04610	0.8
120.62849	0.7
122.06099	1.8
124.07688	8.3
125.02441	1.4
132.04565	4.8
134.06122	1.2
136.07701	6.5
137.02434	1.3
139.04008	4.8
149.04665	0.8
153.01949	1.8
165.01933	1.0
167.03529	1.5
200.09528	2.4
204.20197	0.8
212.09529	4.6
213.10355	2.5
214.11079	5.2
215.11855	12.6
216.12265	1.0
218.11864	4.3
225.10384	1.2
226.11067	5.3
227.11902	25.6
228.12352	1.0
229.13466	23.1
230.13779	0.8
239.11836	2.9
240.08902	1.0
241.09686	1.2
242.10582	2.7
243.11316	0.9
255.11397	3.1
257.12958	46.3
258.13361	1.7
259.10867	4.9
267.11203	1.0
269.12875	1.2
273.12369	1.9
275.13971	5.4
284.11581	1.3
285.12457	1.7
301.11899	14.1
315.13519	8.9
319.12979	100.0
320.13275	4.7
343.13055	8.4
345.08212	2.1
361.14063	25.4
362.14221	1.1
389.36386	0.9
391.15112	1.5
421.16089	3.1
463.17264	2.7
481.18164	7.3
482.18430	1.1
506.80029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68644	0.6
55.06195	0.6
58.31633	0.6
59.01377	20.1
61.98825	3.5
69.32847	2.6
71.01379	13.9
71.79961	0.6
72.71999	0.6
72.99310	0.6
73.02567	0.7
73.02945	9.8
73.54771	0.6
78.91880	2.2
78.95904	1.6
83.01372	0.9
84.13563	0.6
85.02955	1.6
87.00848	1.0
89.02443	22.0
96.96017	0.7
97.02945	1.0
99.00876	23.2
101.02435	7.5
104.75410	0.6
113.02444	1.8
119.03529	1.0
125.02479	2.2
131.03505	3.7
136.05301	2.8
141.12852	20.5
143.42682	0.6
149.04561	4.9
152.99585	1.0
158.09738	0.7
161.04506	1.3
165.09189	1.4
167.27678	0.6
169.12323	1.8
180.53189	0.8
183.13901	0.9
187.13391	35.4
188.13669	1.1
191.05606	5.0
239.95164	0.7
281.13922	1.2
349.18448	1.7
402.13474	0.7
481.22888	100.0
481.34601	2.4
482.23279	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02056	1.0
70.32464	1.0
70.97440	1.5
78.95902	38.8
79.55904	1.0
96.96964	2.7
152.68367	0.9
152.99591	62.8
171.00645	17.1
227.03297	3.7
245.04298	100.0
246.04636	2.7
253.21721	65.3
254.22012	3.9
285.48157	1.0
402.45743	1.0
481.25708	50.0
482.26175	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	482.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	9.4
64.32223	5.0
65.74790	5.4
69.96585	7.4
69.96950	14.6
71.90520	5.2
72.61263	5.7
78.95898	47.1
84.00861	11.1
98.22546	8.0
132.72585	5.8
134.06938	5.1
152.99565	65.0
153.99896	12.8
171.00644	14.0
180.23503	5.7
245.04277	100.0
245.97083	5.5
246.04581	31.7
253.21680	25.4
254.22083	50.5
277.21744	71.3
319.22638	7.1
475.81558	6.4
482.25986	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	3.3
61.98822	2.3
68.65630	1.9
69.35384	9.8
72.00900	2.4
72.04530	2.8
72.23840	1.8
74.02472	58.4
80.57108	1.9
80.70352	2.0
95.35667	1.8
95.51494	1.7
95.84660	1.9
109.61707	1.9
116.05051	22.4
118.11320	2.1
142.06610	6.4
159.09227	7.3
171.00671	2.1
197.80896	2.3
203.08257	39.1
235.32919	2.0
246.73199	2.5
353.24460	7.8
369.50623	2.4
438.31076	5.1
482.30234	100.0
483.24182	2.6
483.30557	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	483.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01385	3.8
61.98833	2.8
69.63702	2.1
71.01379	3.2
73.02958	1.0
77.03949	0.6
79.01936	0.5
82.36143	0.5
82.95398	0.8
83.01382	0.8
85.02956	1.3
89.02448	1.5
96.96025	5.2
97.02966	0.8
98.21964	0.7
100.23579	0.6
101.02463	3.1
103.55438	0.5
105.68304	0.6
107.01369	0.6
109.02945	1.9
113.02454	1.6
117.03545	0.6
119.05025	0.7
121.02987	1.7
123.04527	1.1
125.02483	1.1
130.08717	0.9
130.95107	0.6
133.02953	11.8
133.03868	0.8
134.03755	1.9
135.04526	5.1
145.02876	0.8
147.04514	1.2
149.02435	1.9
161.02467	2.0
161.04527	0.6
163.00372	1.1
163.04008	3.0
165.01926	1.9
167.01816	0.8
173.02509	0.7
175.00468	0.6
175.02582	0.9
175.04018	2.7
177.01971	1.6
189.01775	0.7
191.03505	2.2
193.01398	1.5
199.03976	1.1
201.01965	1.8
203.03508	0.7
213.05617	1.4
215.03577	0.6
225.05635	0.7
237.05672	0.6
241.04974	0.7
243.02960	1.0
253.05011	0.7
255.03026	0.7
255.06615	0.8
256.03690	0.6
269.04575	1.6
283.06555	0.7
284.03253	8.2
285.04083	7.3
297.04031	17.0
298.04791	9.5
299.05582	19.4
300.05994	0.8
309.03946	1.0
311.05679	1.9
321.19238	0.7
327.05090	100.0
328.05423	5.5
339.05078	4.0
357.06168	27.6
358.06442	1.7
369.06149	3.0
393.06262	1.1
447.09311	90.6
448.09738	4.7
472.38651	0.6
483.23560	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1142
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
57.03444	1.7
59.01365	1.3
69.07769	2.2
71.01384	1.0
78.95894	0.4
88.22184	0.3
89.02477	0.8
89.03969	1.3
96.96013	4.8
96.96967	1.0
99.04523	2.0
101.02469	0.6
105.03477	2.5
115.33037	0.3
123.04525	0.6
133.02963	7.1
133.03975	0.4
135.04504	0.9
145.87503	0.3
148.01665	0.6
149.02448	0.7
161.04509	0.5
176.01138	1.4
177.01923	100.0
178.02249	2.9
179.14284	0.3
236.51088	0.3
321.06125	0.5
339.07187	21.8
340.07446	0.5
381.03717	0.5
381.08276	8.9
421.11346	0.7
483.11389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03441	3.3
57.16568	1.1
59.01375	58.2
61.98821	5.1
68.04058	1.3
69.18030	7.5
71.01379	42.3
73.02947	11.6
74.71967	1.1
80.91666	1.7
82.95408	2.6
83.01379	3.3
85.02957	10.9
87.00861	1.6
89.02443	42.4
89.03990	1.2
95.01388	4.3
96.95994	7.8
99.00877	2.3
101.01778	2.7
101.02437	37.4
105.03454	3.6
113.02444	18.6
119.03503	15.3
125.02457	2.0
131.03491	4.6
133.02968	7.7
136.07614	1.2
143.03519	6.2
149.02319	1.4
149.04591	1.9
159.03008	1.6
161.04587	18.2
164.73149	1.1
176.01131	1.4
177.01921	100.0
178.02286	3.9
179.05612	40.4
221.06662	7.7
230.62178	1.2
230.99748	1.1
244.55565	1.2
261.13568	2.3
265.31000	1.4
339.07214	22.2
357.91556	1.4
381.08307	8.1
421.11230	2.5
423.18710	54.7
424.19183	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
58.02979	9.8
59.01374	6.8
61.98828	100.0
69.32188	7.1
71.01378	4.5
72.00910	2.8
73.04070	6.1
78.35472	1.5
85.02952	1.4
91.05524	7.9
96.96002	2.4
98.02481	4.8
98.22668	2.8
101.02460	2.1
108.08167	1.9
113.02464	2.2
115.05140	6.1
116.03555	1.5
129.10374	11.7
130.08672	1.6
141.10321	3.4
143.11887	2.2
147.04514	14.7
151.08745	1.6
152.07173	10.8
164.07158	45.4
164.08554	2.9
168.11423	16.6
181.67076	1.5
186.12480	32.5
190.02773	2.0
196.09789	2.6
205.04988	2.3
209.24628	1.3
210.12450	28.0
228.13524	4.2
233.16588	8.8
243.17447	1.4
252.54601	1.5
277.15466	7.6
285.03934	1.7
290.18716	16.9
327.04926	1.8
332.19742	2.5
376.18771	97.1
377.18985	5.6
402.20157	1.6
420.21390	99.0
421.21854	6.7
447.09512	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	483.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90414	9.4
56.16655	8.2
70.81499	13.9
74.02473	13.2
75.21185	8.6
83.18693	8.1
89.85153	9.6
97.04057	18.0
100.00415	96.6
100.52763	8.4
126.99693	14.3
145.04047	16.5
146.04933	11.6
148.98453	8.7
159.05638	26.6
160.93935	9.4
216.12639	15.5
230.14119	10.8
231.14958	15.0
251.14221	14.2
252.10623	16.6
263.13885	15.2
265.15598	21.2
275.13974	9.2
277.15616	23.2
303.13318	10.0
305.11432	28.1
305.14746	11.7
309.12875	24.1
312.19772	10.0
313.22546	9.6
316.22836	14.3
334.24057	10.8
336.11310	13.1
341.22324	25.2
357.21854	18.4
359.23404	60.4
364.19437	39.6
369.21753	27.9
371.23328	54.5
373.25046	55.2
375.22800	31.8
377.24490	16.1
378.21384	10.1
387.22845	71.0
389.24655	17.5
391.26083	10.7
403.20612	60.1
417.23633	13.9
421.21863	73.5
435.24918	100.0
465.20700	70.3
466.86896	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	483.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03429	4.7
59.01379	41.0
61.95610	1.4
61.98821	7.9
66.30766	1.3
69.03466	1.5
69.15617	7.8
71.01382	39.8
73.02946	17.2
74.02462	3.5
78.95910	15.3
83.01378	8.0
85.02943	21.9
86.00117	2.5
89.02433	5.5
95.01380	3.4
96.96964	1.7
97.02917	2.7
99.00862	6.8
101.02443	40.5
113.02457	16.8
125.02474	3.1
128.03540	2.8
135.44685	1.4
141.68419	1.5
143.03535	1.6
143.04591	2.8
150.98015	1.3
152.98363	1.7
152.99586	26.5
159.02954	2.3
161.04544	13.3
203.08159	2.3
254.07918	2.3
272.08807	2.1
285.03906	2.8
291.18127	100.0
292.18555	4.0
306.07523	2.6
327.05124	2.3
423.22369	78.3
424.22635	4.2
447.09097	4.4
483.23672	11.5
483.31894	2.9
484.31616	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82351	0.3
69.38554	1.2
78.95896	9.3
96.96954	0.3
106.68349	0.3
108.40785	0.3
115.59641	0.3
137.68352	0.3
148.34183	0.3
152.99571	15.3
171.00623	1.2
227.03235	3.7
245.04311	1.4
255.23267	100.0
256.23624	4.1
298.35001	0.3
306.21606	0.3
483.27231	31.8
484.27499	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40019	0.3
53.94588	0.3
66.41982	0.3
69.95004	0.9
70.77796	0.3
78.95901	18.8
96.96975	1.7
134.98526	0.4
150.97969	0.6
152.99582	34.2
153.99904	0.4
171.00620	1.4
175.22359	0.4
198.18634	0.4
227.03238	4.5
237.22398	0.4
245.04257	0.9
255.23277	100.0
256.23611	4.9
295.73370	0.4
391.22498	0.9
409.23660	0.8
483.27246	65.1
484.27670	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	483.3844
Annotation	Pellynol E
Peak:m/z	Relative Intensity
64.01644	0.9
66.43555	0.8
68.24126	0.8
70.59026	1.2
90.60185	0.8
95.05007	2.5
139.04018	47.3
141.20189	0.8
146.69707	1.0
181.08676	0.9
272.36185	0.9
279.19714	2.2
358.81589	0.8
360.44150	1.0
388.09634	1.2
483.38406	100.0
484.38651	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	484.103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	1.5
59.01374	1.4
61.98818	1.7
63.96031	0.6
71.01422	0.7
74.02468	3.6
82.41374	0.5
82.95425	3.3
86.02472	1.5
87.05626	0.8
89.02433	0.7
99.05622	3.3
101.02405	0.7
101.07200	0.7
107.05022	3.6
127.05063	0.7
128.03529	14.7
133.02959	1.8
134.03766	0.9
134.52942	0.5
135.04539	0.9
135.05635	0.8
139.02234	7.9
139.89384	0.5
141.06627	0.8
143.04619	18.1
145.06219	0.8
146.04622	1.5
150.01372	0.7
167.01715	100.0
168.02031	1.9
179.04593	3.9
185.05678	0.7
210.08838	3.5
211.00693	26.0
212.01080	0.7
227.14081	0.6
254.07817	7.7
272.08862	40.2
273.09219	1.5
275.97614	0.6
306.07669	0.7
424.16238	1.0
440.11261	1.2
484.23880	0.9
508.57352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03431	1.3
58.00590	0.7
59.01378	55.6
61.98827	2.2
65.51692	0.5
66.00178	0.4
69.49871	1.0
69.50243	1.2
71.01381	30.2
72.99295	0.9
73.02941	3.1
82.02976	1.2
83.01385	1.5
84.00956	0.7
85.02960	5.6
86.00083	0.6
87.00887	3.1
89.02444	39.3
95.01391	2.3
96.96039	1.0
98.22559	1.1
99.00908	0.5
99.04516	1.4
101.02441	21.3
113.02444	13.7
117.03401	0.7
119.02639	1.1
119.03498	19.9
125.02456	1.5
127.05088	0.6
128.03543	1.4
129.10361	0.5
130.08765	1.6
131.03503	3.3
143.03523	3.2
144.06821	0.6
145.07716	68.9
146.08076	1.3
147.35258	0.5
149.04514	1.4
159.02904	0.5
161.04567	6.0
170.07217	5.0
179.05618	12.3
188.08286	100.0
189.08612	2.6
214.09845	25.3
215.10098	0.7
221.06641	3.4
226.09706	1.1
228.11267	0.7
230.09393	0.9
244.10930	1.5
256.10895	5.0
261.12674	0.6
263.12787	1.0
268.10941	2.3
279.13525	0.8
284.03183	1.5
285.03906	3.7
286.04349	1.9
286.11932	0.9
295.10324	1.5
299.66049	0.5
304.13016	7.8
322.14041	9.0
327.05023	0.9
328.05344	1.1
441.18741	2.9
447.09219	2.2
448.09616	4.8
448.15912	0.8
466.18237	2.1
484.19305	30.2
484.30112	3.1
485.19708	1.9
485.29712	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	484.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81684	0.1
52.98471	0.1
59.01382	0.3
61.98830	100.0
65.71159	0.1
69.46761	0.8
71.01384	0.2
77.10931	0.2
144.76535	0.2
226.87534	0.2
424.22177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
59.29767	0.2
61.98828	100.0
71.01389	0.2
73.94302	0.2
86.62246	0.2
88.25008	0.2
90.01250	0.2
90.22729	0.2
99.34324	0.2
100.05035	0.2
118.65392	0.2
229.96471	0.2
337.41885	0.2
369.09961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37341	3.1
52.88094	3.1
57.17404	3.6
74.02477	58.7
116.05059	20.7
120.23687	3.6
121.65508	3.5
128.63689	3.7
159.09242	4.5
163.21843	3.6
179.63466	3.5
203.08247	40.9
272.04749	3.9
293.36679	3.8
298.54248	3.5
311.26883	5.3
355.25986	8.2
484.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03450	0.7
59.01379	22.3
61.35166	0.5
61.98824	1.0
67.83081	0.6
69.39820	1.1
69.40199	1.3
71.01385	20.6
72.99322	0.7
73.02949	7.9
82.95419	5.9
83.01395	2.2
85.02947	8.4
86.00084	0.6
87.00880	4.3
87.05681	0.6
89.02452	10.3
95.01389	2.1
95.29282	0.6
96.00888	0.7
96.96008	1.8
97.03007	0.7
98.95632	0.9
99.00883	1.5
99.92590	0.6
100.93346	1.9
101.02450	12.7
111.00816	0.5
113.02452	7.0
113.03571	1.3
115.92077	1.9
116.07128	0.6
116.92845	1.1
119.03506	3.7
127.05114	1.4
128.03534	0.5
129.10359	1.3
130.06236	1.8
130.46466	0.5
131.03516	5.2
136.83310	0.5
143.03502	0.9
145.06221	2.1
145.07726	1.8
146.04778	1.2
159.02974	1.3
160.06433	5.2
161.04544	7.0
161.07205	58.2
162.07523	1.2
175.08762	22.0
179.05608	1.0
187.08742	3.4
189.06697	87.6
190.06978	2.5
196.14565	1.0
201.10378	1.1
203.08263	18.7
204.08496	0.6
221.06677	8.6
229.09831	2.0
231.07674	0.8
241.11926	1.0
262.96533	0.7
305.11453	9.7
323.12460	1.6
332.11792	0.6
441.25638	0.8
467.16974	2.9
467.26596	0.7
468.24841	0.8
485.17770	100.0
485.27029	6.1
486.18250	6.9
486.26102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98590	4.2
59.01374	9.3
60.69524	4.9
61.98826	10.5
67.60851	4.8
80.91689	5.4
82.95406	6.0
95.00249	4.4
112.82360	4.4
245.00031	4.5
263.06335	4.4
265.07489	22.3
267.09177	34.1
277.07559	7.6
295.08566	20.0
309.10251	19.5
311.08005	4.8
347.15305	6.2
365.16418	8.8
425.18570	100.0
426.18924	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	485.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30158	1.5
57.84520	1.4
59.01365	5.3
61.98832	59.3
66.03489	1.3
67.78651	1.3
70.02958	2.2
71.01381	1.8
80.05031	2.5
81.02213	1.6
82.02975	1.6
82.06599	3.2
82.95407	2.1
87.05654	1.7
94.06595	1.8
96.00917	61.7
97.06538	1.6
98.02477	20.4
101.02470	2.0
107.53401	1.3
108.03281	4.2
109.01687	6.8
112.00385	3.3
113.03571	31.6
129.10341	19.1
130.08755	3.0
137.80249	1.3
138.09239	5.8
139.08792	3.7
140.07195	15.3
155.05901	8.6
155.08244	2.5
163.08731	3.0
165.10310	25.8
166.07352	2.1
166.08704	24.4
167.08203	10.0
167.64514	1.4
183.11400	2.8
191.08235	5.0
191.11923	1.4
193.09782	6.2
195.15010	4.0
197.16612	5.5
200.13994	3.5
208.10916	9.5
208.13411	4.1
209.09312	29.6
211.10789	3.0
223.14474	5.2
225.16093	11.7
226.11980	14.4
236.16599	1.8
255.17134	2.1
257.18192	1.7
268.16568	4.1
275.21304	7.0
275.47812	1.7
277.22791	4.9
283.16513	4.2
294.25409	4.2
348.46130	1.5
370.26971	4.4
391.31848	1.5
418.23209	4.3
435.26050	4.9
436.24750	1.7
446.96072	1.5
450.26062	90.3
451.26300	5.2
467.28745	100.0
468.29059	6.2
485.29819	42.3
486.30099	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	485.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
57.17072	0.5
59.01384	3.2
60.99303	1.7
61.98827	3.7
69.52409	1.6
71.01385	2.4
73.04054	1.2
78.95904	0.9
82.02962	1.4
82.06603	0.7
84.04536	1.4
88.98811	11.1
89.02437	3.2
96.96016	1.8
99.04527	2.6
100.04023	0.9
101.02446	1.1
101.07214	13.1
109.04081	5.3
117.03431	0.7
125.02510	1.2
125.03578	1.7
126.09219	0.7
127.05139	20.9
128.03520	1.8
129.10335	2.5
130.08743	43.0
135.91515	0.5
139.08763	0.9
139.10472	0.5
140.07176	3.1
141.10339	0.8
145.06194	34.3
165.05458	1.0
167.11911	0.9
168.09009	2.1
169.09839	1.0
169.13504	0.7
179.11969	2.8
180.10243	3.1
195.11447	0.9
197.12990	1.2
199.18147	12.1
207.14969	0.6
222.12444	3.9
223.10919	1.3
225.16052	2.1
226.15074	0.6
240.13499	0.9
243.17073	4.0
258.14539	1.2
269.28381	0.6
282.18604	0.7
283.06192	1.6
285.04239	0.7
292.20493	1.0
295.06229	1.0
296.06787	0.7
297.07697	0.9
310.21179	0.9
312.26517	6.1
323.05603	1.6
337.25955	0.8
341.06699	0.9
354.20258	5.2
355.27124	1.4
356.25909	1.1
365.06573	1.0
369.06055	0.9
381.05853	0.7
383.07626	4.9
399.07162	5.3
423.29736	2.5
447.09232	1.1
447.26215	0.6
467.28702	18.9
468.28976	1.7
485.11163	6.4
485.29834	100.0
486.11380	1.0
486.30057	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	486.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33979	2.0
57.03442	8.5
59.01373	13.7
59.05762	2.3
61.98830	74.1
69.37751	11.1
69.38086	3.6
71.01379	8.6
73.02946	54.8
83.05023	4.3
85.02971	3.9
87.00920	3.6
89.02446	5.9
101.02447	3.7
113.02392	5.5
125.06068	8.3
137.07176	2.2
145.10223	5.1
149.06038	2.2
161.04500	2.5
161.09679	4.0
163.11212	4.6
164.29903	2.4
187.11279	13.8
199.22957	2.6
203.10793	2.4
205.12315	6.9
207.10269	28.3
219.13934	4.9
221.11740	2.7
231.10266	3.4
249.11317	7.3
263.12830	14.7
281.13943	100.0
282.14209	5.7
305.13919	6.0
372.51968	2.3
427.18808	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	486.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	73.0
61.98829	57.2
66.17103	13.2
69.27502	63.9
71.01375	38.3
73.02950	64.2
74.02457	16.1
78.88624	13.4
84.00925	42.7
89.02436	40.9
98.21870	30.6
99.00896	17.4
101.02451	37.6
113.02447	23.7
117.43770	12.2
119.03501	15.0
133.02928	13.9
150.52042	15.3
154.81371	15.7
161.02438	41.5
179.03613	17.8
181.05145	19.5
263.08011	17.6
281.13962	100.0
305.13959	35.5
353.80273	15.0
451.06027	15.8
486.27472	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	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16125	0.3
59.01376	0.6
61.98828	100.0
67.51682	0.3
71.01374	0.4
79.91211	0.3
96.00928	0.7
113.03620	0.6
130.08743	0.3
146.17119	0.3
149.70108	0.3
158.22092	0.3
158.31998	0.3
167.59697	0.3
216.08318	0.3
468.29022	0.9
486.28693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	4.1
59.70977	0.9
61.98821	5.8
66.03463	1.0
70.02976	7.4
70.34859	0.9
70.52999	1.7
71.01366	3.3
72.00900	2.7
73.04051	1.3
74.02473	74.1
82.02976	2.8
82.06604	3.5
82.95427	1.4
87.05112	2.1
87.05637	38.9
88.04042	6.5
89.02407	2.4
96.00915	42.6
96.95994	4.5
98.01887	1.4
98.02474	17.6
99.00871	2.4
100.00402	1.1
101.02451	1.2
109.01649	4.0
109.04034	0.9
110.02483	5.2
111.00845	3.3
112.02752	3.2
113.03547	1.7
114.01938	4.0
115.08777	1.3
123.03221	4.4
125.03543	2.8
126.09177	2.0
127.05145	12.6
128.03534	7.4
129.10316	3.5
130.08745	8.1
135.84912	1.0
138.09209	4.5
139.08769	12.0
140.07199	5.8
141.10323	1.9
143.11897	7.9
145.06133	1.9
150.09135	1.4
155.08171	3.3
162.09216	2.4
165.10320	2.9
166.08723	12.8
167.08133	1.5
168.09010	2.4
169.09789	8.2
172.10847	1.2
179.11864	1.5
180.10219	1.3
183.11414	1.2
184.07265	6.5
187.10878	18.4
197.16533	1.3
206.08156	1.6
208.13387	1.1
209.09366	4.9
213.08788	1.6
215.65083	1.1
221.16200	1.0
223.14485	1.3
225.16080	17.0
228.17082	1.2
235.18054	1.2
254.18614	1.2
256.20248	1.6
261.16034	1.2
292.20303	1.7
293.18399	2.3
300.19189	1.3
327.05170	1.3
328.05176	3.5
336.19312	10.7
340.18301	1.5
357.22113	1.2
358.05997	1.5
380.18246	100.0
381.18649	5.8
398.19266	2.6
448.09482	3.1
451.21469	4.8
452.20538	1.6
456.27985	2.0
468.24615	97.2
469.24768	7.7
486.10889	2.1
486.25494	42.9
487.24301	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	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67984	0.5
69.53573	1.9
76.14767	0.4
78.95885	0.4
86.88653	0.5
88.04042	56.7
89.04385	0.4
117.59603	0.4
122.09467	0.5
123.29778	0.4
147.08154	1.8
149.09698	1.4
160.08997	1.0
161.09720	1.0
163.11296	3.1
187.11301	2.0
225.86478	0.4
231.19150	0.5
243.84164	0.5
256.23572	0.8
265.12445	0.6
279.13809	1.2
280.14648	1.2
307.16998	0.8
309.22244	2.4
322.19211	0.5
337.21716	100.0
338.22086	7.3
369.65704	0.5
486.26834	17.9
487.27219	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	487.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
57.03434	3.1
59.01373	16.2
61.98812	4.6
63.68547	1.0
69.09476	6.6
69.23637	1.2
71.01377	9.7
73.02930	3.0
75.00851	1.5
83.01431	1.2
85.02963	2.3
87.00903	1.3
89.02425	4.4
93.39267	1.0
98.22723	2.3
99.00884	1.7
99.04517	2.1
101.02458	6.0
109.02908	1.8
113.02447	4.3
114.05594	1.4
117.03466	17.6
119.03526	1.3
119.05051	9.4
125.02360	1.4
129.10332	1.1
130.08720	1.9
132.02237	1.2
133.02956	28.1
134.03754	3.8
135.04521	61.1
136.04797	1.6
137.02429	1.6
145.02954	42.0
146.03258	1.2
148.05309	1.5
149.06087	6.0
161.02437	100.0
162.02786	2.5
163.03987	4.8
175.03999	1.6
177.01733	1.0
177.05598	15.4
178.02678	1.1
179.03496	77.4
180.03806	2.3
187.03979	1.1
189.05544	1.3
194.54623	1.0
203.03412	3.6
221.04538	29.6
251.05594	29.2
251.08220	1.8
252.05762	1.4
258.73016	1.1
281.06662	37.6
283.05988	1.6
311.05554	4.1
323.07745	39.1
324.08109	1.9
325.16116	1.2
341.08804	46.2
342.09088	3.5
357.75787	1.3
401.08801	3.0
423.22946	1.0
466.44965	1.2
469.23032	1.3
487.12543	28.9
487.23453	2.0
487.29565	4.5
488.12787	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.0
59.01375	22.4
61.98823	9.7
65.61018	1.5
66.75313	1.5
68.18494	1.6
69.92883	2.9
69.93214	2.7
71.01388	10.8
71.29990	1.5
73.02927	3.1
75.00849	2.0
83.01410	2.4
85.02934	3.6
87.00907	1.8
89.02456	5.5
99.04542	7.1
101.02438	7.8
113.02441	1.9
116.92821	3.0
117.03468	19.5
119.05026	11.2
125.02438	2.6
128.41896	1.5
129.10370	3.5
130.08731	7.0
132.02173	2.1
133.02943	25.1
134.03706	3.0
135.04529	68.8
136.04778	1.7
145.02954	50.2
146.03232	2.2
148.05237	1.8
149.06087	7.4
161.02440	100.0
162.02815	2.5
163.03995	7.3
174.01854	1.7
175.02548	2.2
175.03937	3.1
177.05562	20.6
179.03490	88.6
180.03819	2.9
189.05537	1.8
203.03592	1.5
219.03160	1.4
221.01234	1.7
221.04527	30.2
229.05232	1.7
247.44051	1.4
251.05603	44.2
255.03046	3.3
269.04645	1.5
281.06668	54.0
283.02600	1.8
283.06021	2.6
291.62109	1.5
311.05627	6.0
323.07733	52.2
324.08090	2.2
341.08786	58.7
363.04764	2.2
366.06506	1.6
393.05872	2.3
401.08737	5.8
453.08182	1.9
487.12607	23.0
487.29556	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	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
69.17043	2.4
80.25777	0.4
82.95416	1.2
83.73762	0.4
84.04560	0.4
89.02447	0.7
96.95990	0.4
98.21887	1.0
99.21284	0.4
101.02477	0.5
101.06036	0.4
107.43206	0.4
109.45789	0.4
116.92893	0.5
117.03490	0.6
117.19942	0.3
119.05028	86.9
120.05423	2.0
127.05167	0.6
128.03558	0.8
130.08720	0.4
145.02940	4.0
146.03357	0.4
161.02473	0.8
161.06030	0.6
162.89386	0.4
163.04010	100.0
164.04358	2.9
169.09937	0.4
187.03969	0.5
187.08505	0.4
187.87923	0.4
205.05003	1.1
270.49973	0.4
325.09290	16.7
326.09726	0.5
487.25003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
59.01382	8.0
61.98827	0.7
67.66441	0.4
69.44317	1.9
71.01376	6.8
73.02936	3.3
82.95423	0.5
83.01418	1.0
85.02966	1.8
87.00880	1.5
89.02444	4.9
93.03490	0.5
95.01435	0.4
97.02960	1.8
99.00887	0.7
101.02442	6.2
102.11572	0.5
110.80791	0.4
113.02448	3.6
117.03463	28.9
119.03536	2.3
119.05024	31.0
120.05373	0.8
125.02450	1.0
128.03529	1.9
130.08737	0.7
131.03528	0.5
132.05812	0.7
133.06602	1.7
135.04538	0.7
137.38118	0.4
143.03502	1.6
145.02951	100.0
146.03296	3.0
159.04532	1.1
161.04544	4.0
161.06079	4.1
161.08241	1.2
163.04002	67.9
164.04361	1.6
179.05595	2.2
187.03996	6.2
205.05048	6.7
221.06691	1.9
229.05045	1.3
243.17108	1.9
245.06549	1.1
250.34845	0.4
263.07663	1.6
289.07211	0.5
307.08063	0.7
323.09912	2.0
367.04135	0.7
372.21368	0.4
427.12259	0.6
487.14551	4.3
487.24603	2.2
488.14450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
59.01377	6.8
60.93314	0.4
61.98808	0.5
63.93745	0.4
65.93464	0.4
68.82016	0.4
69.73201	0.8
69.73589	1.1
71.01381	6.9
73.02946	3.3
79.68892	0.4
80.05663	0.3
82.95457	0.4
83.01380	1.2
85.02934	2.0
87.00869	1.1
88.04025	0.5
89.02438	4.0
93.03434	0.5
95.01382	0.8
97.02955	1.0
97.17947	0.4
99.00874	0.8
99.44682	0.4
101.02441	6.3
113.02463	3.0
115.00343	0.4
116.92897	0.5
117.03465	28.9
118.03785	1.0
119.03522	1.3
119.05024	34.4
120.05367	0.9
121.02926	0.4
125.02448	1.0
127.05163	0.6
128.03537	1.6
129.10265	0.4
130.08734	1.6
131.03510	0.6
132.05798	0.8
133.06575	1.9
143.03485	1.8
145.02950	100.0
146.03302	2.3
159.04539	1.3
161.04568	2.8
161.06071	4.5
163.04005	62.8
164.04379	1.4
179.05615	2.0
187.03992	5.3
199.18120	0.6
205.05052	5.5
210.85873	0.4
221.06641	1.8
229.05075	1.0
243.17099	4.6
245.06448	0.9
263.07690	1.3
323.09784	1.4
333.98801	0.4
427.12436	0.6
487.14700	4.0
487.24530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58585	0.4
53.13816	0.4
54.12488	0.5
58.02958	0.6
59.01382	2.5
67.02985	0.5
69.29053	2.1
71.01380	1.2
74.02467	1.9
82.02989	0.6
84.04552	3.2
85.45284	0.4
86.02469	0.7
89.02463	2.3
95.89140	0.4
98.21841	0.9
99.05661	0.5
100.86510	0.4
101.02458	0.8
101.07222	1.8
102.05611	11.6
107.02538	0.5
109.04073	6.4
113.02467	0.8
116.96466	0.4
119.03474	0.7
125.03568	2.6
127.04218	1.0
127.05145	19.0
128.03548	15.9
134.70456	0.4
135.37735	0.4
143.03540	0.5
145.06204	100.0
146.04611	27.6
146.06516	1.7
148.38290	0.4
179.05661	0.9
188.06947	0.5
211.50609	0.5
341.10916	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	487.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15525	8.5
57.03445	14.5
59.01381	100.0
61.98825	86.3
70.80027	14.4
71.01379	37.0
72.33224	8.4
73.02950	13.7
82.16924	9.2
85.02939	18.5
89.02443	31.6
99.00934	14.3
99.04524	16.5
101.02426	38.3
113.02443	19.6
113.07255	9.6
115.00372	12.2
117.03470	25.6
119.03466	16.0
119.04997	24.5
125.02455	14.9
129.44655	9.0
130.08737	21.1
145.02971	35.0
161.02437	12.0
161.04501	18.4
161.05998	10.3
162.05618	42.3
163.03987	28.0
173.02908	10.6
177.01868	20.0
178.02341	14.2
184.07205	20.1
241.58499	9.1
261.12375	9.5
267.12762	8.1
282.05682	12.6
283.06052	19.5
311.05634	33.7
324.00958	10.9
325.01697	30.8
329.36252	10.2
341.06958	17.0
363.04913	14.1
401.08719	19.7
425.23965	11.1
443.25192	24.4
451.21872	34.9
464.65689	9.2
487.06976	21.6
487.20001	57.2
487.29410	57.4
488.15463	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30113	4.3
57.03440	8.8
59.01116	6.1
59.01382	75.2
60.88261	4.2
61.98820	22.7
69.23946	10.3
69.24354	15.2
71.01379	30.4
73.02945	7.3
74.02486	24.5
79.95770	4.6
82.02970	5.9
82.95428	22.5
84.95123	6.0
85.02969	7.5
87.05637	15.0
89.02448	44.1
96.00925	11.3
96.96011	86.3
98.02457	8.0
99.00877	11.2
99.04510	7.8
101.02435	21.5
102.88309	4.2
110.95901	3.7
113.02441	9.3
113.03577	8.6
115.00471	4.4
116.92849	5.3
127.05114	6.7
128.03535	57.2
129.05661	4.2
130.08751	40.2
131.04648	5.5
139.63191	4.4
149.04596	28.2
153.06537	4.5
161.04506	6.1
163.03940	5.6
165.10243	4.9
166.08688	6.1
175.15498	4.6
175.23326	4.2
179.05588	5.4
180.10315	5.0
181.08733	5.8
223.10800	11.2
225.16104	5.2
283.06177	5.9
292.29791	4.4
311.05536	7.6
320.24243	4.6
354.20432	31.3
371.49332	5.6
380.18124	8.2
381.18533	25.7
451.21832	64.1
452.20358	32.1
469.23547	44.2
470.22479	4.3
487.18958	100.0
487.25174	21.4
488.19348	6.1
488.28165	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16078	0.7
68.06582	0.9
69.79653	1.3
69.80025	1.8
71.22558	0.8
71.72884	0.8
79.74502	0.7
80.36040	0.7
98.22576	1.1
99.04499	1.7
123.04498	1.7
123.08140	1.4
125.02450	15.5
125.06081	100.0
126.06420	2.1
137.09703	2.9
151.07642	1.2
153.05562	2.3
153.98233	0.9
166.73108	0.9
179.10742	1.2
181.52609	0.8
205.05031	1.4
207.10277	17.2
208.07402	1.6
209.08168	4.2
219.06497	1.3
219.10159	0.9
223.09769	3.0
232.22108	0.8
235.09741	9.7
237.11240	4.9
249.11313	2.5
251.09232	70.6
252.09428	1.8
291.08752	1.9
335.18637	0.8
345.09830	1.0
375.14349	3.5
399.21527	2.2
487.19687	29.2
488.19843	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	487.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33509	1.2
57.14933	1.1
59.01376	9.0
61.98816	1.5
69.10465	5.2
69.10889	3.4
70.02969	6.7
71.01384	9.1
76.67415	1.3
82.02974	3.1
82.06625	3.0
84.04523	3.5
85.02956	1.5
87.05624	4.6
88.04021	6.8
89.02432	3.7
94.84083	1.4
96.00916	12.7
96.95975	3.0
97.06603	1.4
98.02464	9.4
100.10426	1.4
101.02426	4.9
101.07198	3.0
102.05609	29.6
109.04076	2.7
112.07721	1.8
113.02414	2.1
113.03595	12.2
114.01959	3.9
115.00385	8.3
116.07241	1.4
127.05138	11.3
128.03540	79.5
129.03851	1.9
129.10297	6.8
130.08740	21.4
131.04631	11.0
132.03021	6.9
136.11247	1.4
137.07147	2.6
138.09251	2.1
139.08775	4.2
140.07153	5.7
145.06177	6.2
146.04593	23.0
155.08284	9.1
164.09506	2.2
165.10347	1.9
166.08713	11.2
169.13399	1.8
170.60646	1.4
171.15016	3.1
179.05678	1.4
179.11917	1.4
180.10284	5.7
183.11418	2.5
193.13521	2.0
197.12967	2.6
207.15054	10.9
210.07639	1.6
215.13962	4.1
222.12413	3.0
223.10818	3.8
224.17690	4.3
225.16093	3.8
227.10356	2.7
235.18199	3.2
240.13333	1.7
241.11874	3.5
242.18704	3.9
243.17146	3.7
274.90649	1.4
279.16943	2.1
309.22827	1.6
321.19113	1.7
322.40121	1.6
323.16153	13.7
335.21002	6.3
339.20346	2.1
340.18832	9.5
341.17407	2.0
353.21887	5.8
354.20334	3.7
357.21280	5.5
358.19827	4.3
371.22910	9.4
372.21313	18.0
373.21503	1.9
452.20380	40.0
453.20685	3.6
469.22995	33.6
470.21640	8.8
480.82858	1.5
487.12924	3.4
487.24051	100.0
488.24362	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	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.78569	4.8
61.48172	4.2
61.98828	6.4
64.59289	4.4
83.49528	4.7
87.46127	4.1
87.66811	5.5
95.40818	4.6
98.01847	4.6
98.44506	4.1
99.18430	4.1
116.47441	4.1
155.68512	4.7
225.69463	4.6
231.75845	4.8
431.02499	4.3
432.80127	4.9
469.33301	14.6
487.34219	100.0
488.34909	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	488.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
61.55169	0.5
69.41354	1.7
71.01382	2.1
74.02480	0.6
85.02965	0.6
89.02444	1.1
96.07037	0.5
96.88795	0.5
98.21867	0.8
101.02446	0.5
102.05610	37.0
103.05955	0.9
109.04047	0.6
115.00385	3.4
127.05142	1.2
128.03543	26.8
129.01913	0.6
129.03909	0.6
137.20634	0.5
145.01437	1.1
145.06204	7.0
146.04594	100.0
146.06502	3.0
146.08270	1.5
147.02997	4.3
147.04922	1.6
147.06676	1.0
171.31847	0.5
236.61855	0.5
245.67056	0.5
288.90613	0.7
322.54266	0.5
341.10995	1.6
342.11313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.8
69.29022	2.6
70.11341	0.5
81.01186	0.5
81.58836	0.5
84.04536	0.6
102.05608	36.7
113.10678	0.5
127.05133	0.9
128.03540	28.8
145.06200	6.2
146.04591	100.0
147.04950	1.4
189.26891	0.5
198.27548	0.7
391.16855	0.6
428.26172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.5
61.98829	3.4
69.03935	1.8
69.77969	6.0
70.02968	7.8
71.01373	24.9
72.99302	2.0
74.02494	3.5
78.95907	2.6
82.02972	3.4
82.06611	3.0
87.05622	5.7
88.04041	37.0
96.00916	47.1
98.02473	16.0
98.22581	2.1
102.05548	1.8
103.60350	1.7
108.53275	1.8
109.01633	4.8
109.21347	1.7
111.01958	3.3
113.03579	12.8
114.01923	6.4
114.99092	1.9
115.00381	28.6
119.05025	2.0
123.03235	4.9
124.04029	2.4
127.05094	3.1
128.03516	7.8
129.10323	10.6
130.08733	12.3
131.04605	3.8
132.03032	26.9
134.04715	15.0
138.09203	4.6
139.08755	4.9
141.06656	3.3
142.66714	1.6
142.93269	1.6
144.11363	1.9
145.09818	2.7
153.10352	4.0
154.09875	2.3
155.08269	16.0
166.08691	6.0
169.09734	1.7
171.53349	1.6
180.11443	4.2
181.09787	21.0
193.15433	1.8
198.12379	2.3
201.02493	4.9
201.12428	7.9
202.02655	4.4
203.02261	5.6
222.16135	8.8
224.10313	3.4
227.10352	2.2
239.18774	2.1
240.17155	38.4
247.65590	1.7
250.19128	5.0
257.19794	9.6
258.18167	3.7
275.18759	3.7
276.17035	5.2
293.19888	11.8
294.18179	4.6
319.17639	17.3
337.18826	14.5
338.17191	24.0
354.21445	24.9
355.19800	23.5
356.18301	3.0
372.22360	4.7
373.20950	26.0
409.20679	7.5
453.13901	3.1
453.19867	43.1
470.22552	44.8
471.21201	8.6
488.23450	100.0
489.23526	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	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40028	0.6
54.23938	0.6
57.03440	2.2
57.50291	0.5
59.01380	33.9
61.98830	2.3
62.28171	0.6
66.03505	1.3
69.08598	2.8
69.09007	1.2
71.01384	19.2
71.02492	2.4
72.00919	1.7
72.99300	0.7
73.02929	1.8
74.02467	1.4
75.00885	0.6
82.02977	1.9
83.01365	1.2
84.04557	0.9
84.95113	0.6
85.02941	3.8
87.00875	1.8
88.98795	4.6
89.02447	24.2
91.05531	1.6
93.03450	3.1
95.01360	0.7
99.04494	1.3
101.02444	11.4
103.01530	1.0
105.01931	0.8
109.02923	0.8
109.04092	0.9
110.06139	1.4
111.01984	2.5
113.02457	8.4
113.07224	1.8
114.05617	4.7
116.07178	13.1
116.92874	0.8
117.03473	0.7
119.03509	7.4
119.04988	3.0
123.04559	1.0
125.02424	1.4
127.05155	4.3
128.03543	32.8
129.10324	0.9
130.06256	0.9
133.02962	1.7
135.04530	0.8
139.05141	1.6
141.10347	2.4
142.05104	1.3
143.03505	1.9
143.05019	2.2
146.06180	1.2
147.04533	5.9
149.02412	0.9
149.04570	1.3
153.06691	1.3
159.02954	0.6
161.04527	2.8
163.03999	2.7
163.08759	2.2
164.07167	13.3
165.09200	1.7
166.08684	2.4
167.11890	1.9
169.13478	12.5
179.05632	5.0
181.09877	1.0
183.11520	1.2
199.11029	1.1
203.08261	0.8
210.06854	5.5
211.07640	100.0
212.07990	4.0
213.12447	53.3
225.08835	1.3
226.15517	0.8
235.07744	0.7
237.09247	1.2
239.10558	0.6
257.09354	2.4
262.15622	1.0
265.08618	3.6
275.10416	3.7
280.16733	0.9
283.06122	0.8
298.04880	1.6
299.05652	1.5
309.07669	1.6
311.05557	1.5
312.06366	1.1
313.07126	1.7
323.05591	1.0
327.05032	1.6
327.08649	9.8
339.05234	1.4
341.06812	1.3
344.39789	0.7
360.19345	0.7
369.06107	6.1
381.06161	0.7
383.19330	1.2
399.07175	4.5
429.08133	2.1
471.22455	3.1
488.28647	0.9
489.10938	12.3
489.23529	73.0
490.10474	0.7
490.23615	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76096	0.6
59.01378	12.9
60.20069	0.7
60.99301	11.6
71.01381	6.6
73.02918	1.0
84.95079	0.9
85.02930	1.6
87.00870	1.0
88.04036	1.2
88.98805	100.0
89.01897	0.8
89.02438	22.9
89.02995	1.1
91.66988	0.9
93.03445	1.9
96.00922	1.0
96.96005	0.8
101.02437	4.4
107.18803	0.8
113.02436	2.8
115.00420	1.0
116.07097	0.9
117.03497	1.2
119.03490	2.8
119.05020	3.2
123.04514	0.8
127.06781	0.7
128.03543	2.2
133.02943	2.3
134.03731	13.8
143.05028	1.0
145.02965	4.3
147.03407	1.3
147.04524	1.2
149.04933	1.1
149.06064	7.3
161.04602	1.1
163.04039	3.8
164.04311	1.9
178.02715	1.0
179.05611	1.3
186.12526	1.0
187.04012	1.9
193.04977	4.1
210.06824	2.1
211.07639	22.7
213.14044	0.7
220.24753	0.8
223.07616	2.8
237.09085	1.2
247.07837	0.7
265.08530	2.6
267.06171	1.3
267.08737	16.4
313.07120	1.0
327.08862	5.3
339.04767	1.3
342.74298	0.9
369.05875	2.6
369.09930	1.7
399.07239	1.2
429.08539	0.9
444.24310	0.9
489.10474	5.1
489.22794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48088	2.6
59.01377	100.0
69.62852	2.7
71.01381	64.6
73.02940	9.3
74.43737	2.5
83.01378	5.0
84.11259	2.7
85.02959	15.8
87.00872	4.1
87.46656	2.9
89.02442	83.9
101.02444	72.7
113.02447	26.9
119.03503	32.0
125.02428	3.8
125.87438	2.7
131.03481	8.1
143.03477	11.9
159.02919	2.8
160.84198	43.7
161.04552	17.6
161.84296	7.0
162.83925	80.1
179.05624	73.2
197.97212	2.7
221.06702	24.5
451.97144	6.0
452.97397	6.8
453.24405	3.3
453.96951	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	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09321	0.6
57.03449	4.4
58.27967	0.7
59.01377	30.0
59.64545	0.7
61.98828	3.1
67.45847	0.6
69.03467	0.7
71.01378	6.3
71.45480	0.7
73.02950	6.2
75.00867	1.3
83.01375	4.8
83.05025	1.2
85.02940	2.3
88.98788	1.5
89.02451	3.4
93.03441	1.6
95.01442	0.8
96.00880	0.7
97.02890	0.7
99.04519	3.1
101.02444	6.6
103.00388	0.8
103.01508	1.1
113.02450	5.3
113.03568	0.9
114.05594	1.6
117.03472	5.0
119.03516	1.3
119.05001	2.1
121.02956	1.3
123.04517	0.8
124.70649	0.6
125.02433	1.0
130.08725	2.3
131.03540	0.8
133.02864	0.6
133.92387	0.6
135.04510	1.8
137.02403	0.8
143.03479	0.9
145.10139	0.9
147.04539	1.9
151.03995	1.2
161.02495	3.3
161.04582	2.0
163.03976	2.1
163.11267	0.7
165.01945	3.3
175.03973	1.4
177.01923	2.8
179.03484	2.4
179.05685	1.0
185.16579	0.6
189.01979	1.2
191.03516	1.8
201.01907	1.4
203.03500	1.8
205.01370	1.6
207.02979	7.0
207.10245	6.6
211.07715	0.8
219.02986	1.7
221.06471	0.7
231.02968	1.6
237.04056	1.9
239.07143	1.0
249.04024	2.1
251.07120	1.2
253.04948	0.7
261.12631	0.9
265.04962	1.0
267.06586	1.0
267.12369	26.9
268.12662	1.7
269.04578	1.8
279.05045	1.5
281.04578	3.4
282.05328	2.1
283.06104	17.7
284.03284	0.9
284.06326	1.3
285.03888	1.3
293.04486	1.5
294.05399	0.8
295.06122	9.1
296.06604	1.1
297.07669	4.3
297.13531	0.8
307.06000	1.0
308.03336	1.4
309.04077	1.5
309.07648	0.9
309.13406	3.6
310.04813	1.7
311.05557	11.1
321.04172	0.8
321.07614	0.9
322.04678	2.3
323.05597	10.3
325.07162	2.8
327.05115	0.9
335.05673	1.1
337.07126	2.0
339.05060	1.4
339.14633	0.7
340.05493	0.7
341.06671	5.6
342.06836	0.7
351.05124	8.7
352.05490	0.9
353.06772	3.6
363.05109	1.8
367.04825	0.9
369.06113	27.3
370.06427	2.3
381.06223	7.7
399.07205	25.5
399.12479	1.5
400.07596	1.2
407.97379	0.7
411.07281	2.5
429.08127	2.0
429.17291	1.1
454.20175	1.9
471.09238	2.3
471.22592	1.3
489.10388	100.0
490.10687	8.1
497.71323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17689	1.7
51.94054	1.9
57.03451	8.3
59.01378	100.0
61.98822	7.1
71.01373	20.5
72.99274	2.1
73.02931	11.2
79.64080	1.9
83.01389	7.7
85.02959	12.0
87.37297	1.5
89.02437	9.9
95.01385	2.9
96.96018	3.2
99.04513	3.5
101.02431	18.8
113.02461	17.9
114.05611	6.4
116.92841	3.3
119.03472	4.2
125.02430	3.0
127.98793	1.7
130.08731	3.4
131.03474	2.7
136.50208	1.9
159.02914	1.5
161.04536	7.4
179.03455	2.1
179.05608	4.6
207.10262	5.9
223.13354	24.6
224.13835	1.8
249.11194	2.5
267.12372	60.3
267.15439	3.0
268.03781	12.0
269.04480	5.0
283.06107	3.0
284.03323	3.0
285.03943	5.7
297.07721	2.8
297.13370	20.3
309.13306	2.9
311.05835	2.0
323.05554	2.1
325.07117	4.2
369.05872	3.7
369.22220	2.7
381.06247	1.8
399.07156	4.1
429.17514	19.1
431.09760	12.4
489.10306	19.7
489.26425	7.5
490.10449	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	489.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.8
57.94555	1.0
59.01382	16.0
61.98826	9.8
69.03456	1.2
71.01385	7.9
73.02953	3.4
75.00883	1.3
83.05007	1.6
85.02947	5.8
87.00928	1.1
89.02442	4.9
97.06595	4.6
99.04517	4.4
101.02442	7.8
104.78046	1.3
113.02459	5.5
119.03515	2.0
125.02419	2.2
130.08675	2.2
145.21529	1.5
161.04552	1.6
165.09367	1.4
165.12848	1.4
171.10281	9.8
179.05586	1.6
183.10275	2.5
183.13896	3.4
185.11734	1.4
211.13383	22.0
221.11861	2.0
229.14447	16.9
239.12912	2.3
273.81113	1.4
275.43167	1.2
285.03964	1.8
291.19742	4.7
309.20831	2.6
327.01859	3.4
327.21759	100.0
328.22055	3.7
341.11041	2.2
351.21619	1.4
409.03159	1.0
487.71939	1.3
489.22076	5.2
489.28003	8.5
493.60709	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	489.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.2
69.23679	26.0
72.36942	4.6
139.46358	4.7
140.62794	5.1
171.67519	5.2
178.36476	4.8
185.11917	9.6
186.58571	4.6
197.02229	5.7
291.19644	100.0
421.46689	5.2
471.32892	6.8
488.34518	13.6
489.34781	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	489.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50618	1.1
54.77256	1.1
59.01370	1.7
68.96279	1.2
69.23735	7.2
71.01399	1.2
71.32719	1.1
90.23418	1.6
90.76218	1.1
110.58930	1.5
165.12830	12.2
197.02156	7.6
227.49829	1.2
247.20668	7.7
269.21393	1.2
273.18558	4.3
291.19659	100.0
292.20013	4.3
303.89526	1.4
430.06284	1.6
489.22772	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	489.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.6
59.01376	31.6
59.49290	1.2
61.80668	1.2
61.98798	2.6
70.99840	2.4
71.01379	17.7
71.02511	3.5
72.00898	2.3
73.02933	2.7
75.00858	2.7
75.36859	1.3
82.02940	1.2
84.04526	2.5
85.02966	4.1
87.00877	1.4
89.02438	16.5
91.05546	1.7
93.03448	3.4
99.04526	5.5
101.02441	9.9
103.00375	1.7
103.01506	4.0
109.04065	1.4
110.06141	1.2
111.02008	3.3
113.02459	4.2
113.07204	3.4
114.05602	5.8
116.07182	16.2
119.03506	5.2
119.05022	2.9
125.02430	3.1
127.05123	7.6
128.03542	37.3
130.08749	1.7
131.03471	1.7
139.05122	2.0
141.10295	2.9
143.03522	2.7
146.06076	2.4
147.04527	6.5
149.04526	1.5
153.06808	1.4
156.58380	1.4
161.04604	2.7
163.08862	1.7
164.07152	18.2
165.09187	8.2
166.08797	3.1
167.08321	3.0
167.11917	2.1
169.13464	15.9
179.05637	3.3
181.09833	2.1
183.11415	2.1
202.29794	1.3
210.06879	2.5
211.07626	57.5
212.08026	2.8
213.12422	69.4
214.12706	2.2
257.09396	1.5
265.08655	2.0
275.10422	5.7
292.92096	1.4
300.13593	2.4
300.39993	1.2
324.15894	1.4
327.05319	1.7
327.08749	5.8
334.38989	1.5
345.15598	2.6
387.16934	2.3
454.20673	2.0
471.22787	5.8
489.11295	3.2
489.23663	100.0
490.24216	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17762	0.4
57.03438	1.4
59.01381	4.3
61.98826	0.7
69.19984	2.4
71.01379	2.9
73.02944	0.9
80.02719	0.4
83.05018	0.8
84.02174	0.8
85.02953	4.5
89.02433	1.1
95.05004	0.8
95.25256	0.4
97.06571	4.2
99.04523	0.8
101.02457	1.7
110.03749	0.6
113.02443	2.1
125.09729	1.0
127.11287	1.4
151.09683	0.4
155.10806	0.4
165.12852	0.9
167.14438	0.7
171.10249	5.5
177.12816	1.1
181.12277	0.6
183.13873	3.1
185.11842	1.2
191.14276	0.7
191.16940	0.4
193.12364	1.4
195.13818	0.6
197.11797	0.6
209.11833	1.3
211.13388	19.5
212.13698	0.7
221.11833	3.5
227.13019	0.5
229.14442	13.3
239.12923	2.7
247.20699	0.6
291.19724	3.7
309.20676	1.5
313.81015	0.4
327.21744	100.0
328.22079	5.0
351.21658	1.7
373.51602	0.4
379.50183	0.6
489.27036	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	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03436	1.5
59.01382	17.1
61.98799	1.2
63.03278	0.6
69.03446	0.7
69.45715	1.1
69.46107	1.8
71.01385	9.8
71.60097	0.6
73.02943	2.7
81.03423	0.8
83.01399	1.1
83.04980	0.7
83.38849	0.7
85.02518	0.6
85.02937	4.1
89.02438	6.2
95.01413	1.1
97.06587	1.9
101.02449	7.0
105.01939	0.7
113.02457	2.8
119.03503	1.9
121.63889	0.8
123.04491	0.7
125.09709	0.9
127.11285	1.7
133.98373	0.7
155.10805	3.6
155.14487	0.7
160.99063	0.7
161.04591	0.9
165.12825	1.3
169.14342	0.7
171.10289	8.3
183.13916	1.2
185.11865	0.9
197.11844	3.2
199.54826	0.7
209.11833	1.8
211.13377	8.6
221.11827	0.8
229.14426	21.5
233.31161	0.8
247.20714	1.2
291.19632	7.1
309.20670	5.3
311.22360	0.9
327.21689	16.1
327.25558	1.0
391.19839	2.1
489.27066	100.0
490.27563	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.5
58.00605	1.5
59.01380	13.0
61.98838	0.9
64.69162	0.7
64.96413	0.9
69.52349	1.4
70.24963	0.7
71.01379	6.8
71.28648	0.7
71.76556	0.8
72.99296	0.7
73.02949	3.0
75.00890	1.3
83.01411	0.7
83.05032	1.2
85.02959	4.9
87.00887	2.3
89.02456	3.2
95.01406	1.4
95.05030	0.8
97.06604	2.4
99.04523	0.9
101.02439	8.0
105.01932	1.4
109.06550	0.8
111.04500	1.2
111.08154	9.9
113.02461	3.3
137.09772	0.7
148.02155	0.8
155.10776	1.8
161.04541	0.8
169.12354	2.7
171.10266	7.6
181.12352	1.6
183.13887	1.8
197.11826	34.4
198.12193	1.4
198.74091	0.8
199.13425	5.1
199.15030	0.8
209.11790	1.2
211.13419	9.8
221.11865	1.7
227.12979	1.6
229.14458	13.1
235.13411	1.0
239.16556	1.1
263.32257	0.8
291.19757	4.5
309.20740	7.6
310.20795	0.9
327.21753	100.0
328.18600	0.8
328.22040	4.6
351.21640	2.8
369.22845	1.3
381.22803	1.3
489.27048	41.4
490.27286	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	490.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.8
59.92600	3.0
60.55147	3.5
61.98833	10.0
65.02995	3.2
71.01393	16.6
72.46892	3.5
84.28713	3.3
86.23038	3.2
89.02435	26.0
99.00888	7.3
101.02473	7.9
113.02469	5.5
113.14697	3.3
119.03530	8.2
135.04536	9.7
147.04507	31.8
165.05562	40.7
179.05602	9.6
266.74554	3.5
278.43045	4.3
292.50195	3.4
322.12955	4.2
419.21988	3.8
454.17200	100.0
455.17291	7.7
490.14792	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	491.1558
Annotation	Globularin
Peak:m/z	Relative Intensity
59.01373	6.1
61.98846	0.5
69.25832	2.8
71.01361	1.8
75.80116	0.6
76.46680	0.6
82.08995	0.6
89.02443	2.9
96.81170	0.5
101.02458	1.1
103.17641	0.5
113.02507	0.6
117.03452	1.8
119.03558	0.9
119.05021	5.2
129.03471	8.7
130.04239	1.3
130.07715	0.5
135.04477	0.7
145.02953	12.2
146.03683	1.4
147.04518	48.5
147.16730	0.6
148.04852	1.5
156.23477	0.5
164.04750	0.6
165.05562	100.0
166.05901	2.8
179.05603	1.8
208.71841	0.5
267.30673	0.6
311.09235	34.1
312.09586	1.2
364.36465	0.6
491.30981	2.5
517.10645	0.7
518.18597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.7
61.03608	1.0
61.24237	1.1
63.86988	1.1
65.77309	1.0
69.48296	2.1
69.48645	2.7
71.01382	10.1
85.02942	2.2
89.02448	16.8
91.05570	1.2
97.02857	1.0
101.02450	5.7
113.02454	5.1
119.03561	5.1
119.05006	6.6
122.67937	0.9
129.03467	7.4
130.04283	1.4
131.03529	1.0
135.04524	14.7
145.02957	5.7
146.03748	2.3
147.04524	71.3
148.05005	1.8
161.04552	2.0
163.03986	9.1
163.86113	0.9
165.05569	100.0
166.05879	3.9
173.76654	0.9
179.05623	12.6
185.76532	1.1
238.06459	1.1
249.86076	1.0
281.08179	6.9
283.00458	1.0
293.08334	1.3
311.09109	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	491.2662
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.01896	0.3
53.69245	0.2
66.03461	1.3
69.24390	0.8
69.24799	0.7
69.62888	0.3
71.02499	3.4
74.71778	0.3
82.01743	0.6
83.02504	0.4
86.24005	0.3
91.05507	1.3
92.52934	0.3
93.67013	0.3
94.24086	0.3
97.00439	0.7
98.01209	0.5
98.06162	0.3
99.02011	0.7
103.57048	0.3
110.03622	1.3
111.01989	0.7
113.07201	0.5
115.08775	10.8
116.05087	1.3
118.06628	3.8
125.07209	3.6
126.05626	2.2
127.08827	0.3
131.05060	0.3
136.18604	0.3
141.06699	4.8
143.08250	0.3
146.06128	9.5
147.06471	0.3
147.21265	0.3
148.07722	0.4
151.41579	0.2
152.08339	1.3
153.06725	1.4
153.09088	0.7
154.07492	0.4
157.05368	0.5
163.08739	1.2
164.09520	0.4
168.07803	1.2
169.13474	1.1
170.09383	3.2
173.07184	1.3
174.05608	1.1
179.11903	4.6
185.04857	0.3
189.06741	0.4
194.12982	0.9
196.14511	1.1
197.08105	0.4
197.13005	1.0
198.08847	0.3
200.10844	1.3
201.06697	0.4
202.12413	1.2
212.14215	0.3
214.15590	4.1
216.07675	0.6
217.13448	1.0
222.12433	0.6
227.11841	2.8
228.10262	2.4
240.07846	1.4
240.13426	0.5
244.14479	0.8
245.12907	3.3
248.10696	0.9
251.15073	0.5
262.15646	3.3
269.16150	1.1
276.10312	0.7
283.13211	0.4
283.18137	0.4
293.12946	0.4
293.21255	4.2
299.17624	0.9
310.15622	0.6
316.20493	0.5
326.18741	6.0
339.14230	0.4
344.19785	2.5
387.06799	0.4
418.48746	0.3
456.13525	0.3
460.06992	0.3
473.25543	0.4
490.23032	0.3
491.26614	100.0
492.26877	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	491.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02467	43.8
54.37651	36.4
61.98806	68.9
62.24168	38.1
62.54613	44.7
62.85460	41.0
69.35328	100.0
69.35718	79.4
78.95920	50.7
82.69840	40.2
90.57595	42.5
98.88033	48.2
110.75781	42.0
249.27855	47.2
265.21698	47.5
266.21945	65.6
323.00967	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97341	0.3
57.03431	1.1
58.00599	0.4
59.01120	0.4
59.01381	5.6
59.55210	0.3
61.05880	0.3
61.98814	1.0
69.03427	0.4
71.01384	3.2
73.02926	1.0
75.00847	0.3
83.01353	0.3
83.04999	0.6
85.02935	2.1
87.00859	0.5
89.02444	1.3
95.01400	0.4
95.95938	0.3
97.06556	0.4
99.00864	0.5
99.04458	0.7
99.08164	3.1
101.02435	2.0
113.02444	2.5
119.03468	0.6
125.02439	0.3
125.09705	1.3
127.11314	1.4
155.10721	0.3
155.14433	0.7
158.72743	0.3
159.41142	0.3
160.38651	0.3
161.04556	0.4
165.12851	0.6
167.10783	0.5
167.14410	0.8
171.10249	2.2
174.22600	0.3
183.13914	4.7
185.11786	0.6
191.14398	0.9
193.12360	1.4
199.13237	0.4
209.11823	1.0
211.13396	24.1
212.13783	0.8
229.14430	15.1
230.14906	0.6
232.08040	0.3
235.13403	0.6
293.21286	1.4
306.01334	0.3
311.22275	2.0
329.23331	100.0
330.23682	4.3
334.00043	0.3
343.24854	0.3
343.87503	0.3
353.23349	1.5
491.28610	14.8
492.28729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03452	2.4
58.00590	0.6
59.01377	35.2
61.98826	3.4
69.47141	2.1
71.01382	16.0
71.01775	0.9
72.99286	1.1
73.02950	1.5
83.01386	1.3
85.02946	4.4
87.00867	1.0
88.14996	0.5
88.98802	0.5
89.01926	0.9
89.02444	12.6
95.01363	1.0
99.00872	0.8
99.04519	1.1
99.08163	0.5
101.02441	8.7
113.02445	4.2
119.03509	3.7
120.99654	0.9
127.11249	0.5
131.03391	0.6
163.11276	0.6
171.10254	1.4
183.13866	1.1
185.06059	1.7
193.12300	0.6
209.11945	0.8
211.13411	5.8
229.14442	3.5
293.21228	8.8
294.21448	0.7
311.22299	4.9
329.23315	10.0
330.23303	0.6
491.28598	100.0
492.28922	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	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78051	20.8
63.03146	17.0
81.91695	16.9
95.97955	17.6
96.20852	17.5
102.08338	19.1
120.20645	19.7
168.02298	22.2
211.13458	27.1
223.46976	18.4
229.14478	27.4
307.28656	20.9
329.23773	20.6
491.28735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.2
59.01380	20.1
60.01718	0.7
61.98828	100.0
71.01379	5.2
73.02953	1.7
75.00874	0.8
76.77808	0.6
83.01387	1.9
85.02959	2.2
87.00885	1.4
89.02444	3.7
97.06569	0.8
99.00890	1.2
99.04518	4.6
100.04924	0.7
101.02436	5.0
103.01516	0.7
105.01934	3.4
106.02219	0.7
107.05043	1.2
113.02456	2.6
119.03517	1.4
120.01289	0.9
125.02465	2.0
135.04544	1.7
135.98543	0.7
137.02498	0.9
137.69543	0.6
161.04572	1.8
161.09694	1.2
179.05688	1.6
187.11333	1.1
205.12271	0.7
223.13377	5.4
249.11452	0.9
267.12387	15.0
267.15179	1.1
331.12506	0.7
349.18701	1.1
409.18069	0.7
429.17569	5.0
448.26724	1.3
455.23181	0.6
492.21841	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	492.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45108	0.3
54.28953	0.4
56.78739	0.3
57.03448	0.7
59.01381	5.3
60.46895	0.3
61.98830	100.0
69.32729	1.3
71.01379	0.9
73.02943	0.6
74.02486	0.5
74.12709	0.3
89.02470	0.9
99.04510	0.6
101.02456	1.0
113.02491	0.5
171.20493	0.4
181.20189	0.4
211.00603	0.6
223.13329	1.9
226.03029	0.6
267.12390	5.3
325.98050	0.4
345.23273	0.5
346.23990	2.0
373.63388	0.4
374.06284	0.7
404.11224	0.9
429.17877	1.0
439.90573	0.4
492.24142	1.0
492.32422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1502
Annotation	Isoamericanol C1
Peak:m/z	Relative Intensity
50.55797	1.5
62.53741	1.7
64.77802	1.6
70.85216	2.0
82.58939	1.8
88.90282	1.8
91.05490	2.1
105.03475	2.2
108.02153	2.4
109.02946	27.4
117.03410	11.5
119.05003	7.4
121.02899	4.1
123.04521	5.0
125.64190	1.9
129.03470	10.7
129.08778	2.0
130.04204	1.8
133.02951	10.5
135.04529	37.3
136.01669	3.6
137.02443	100.0
145.02946	8.3
146.03777	2.2
147.04529	46.6
151.04077	2.3
159.04491	6.5
161.02437	8.1
161.06082	4.5
162.03204	3.3
163.03970	19.1
164.04715	4.8
164.83528	2.2
165.05569	93.3
171.04515	2.4
175.03964	5.2
179.03490	14.1
189.05534	2.5
236.08356	1.7
237.76836	2.2
267.69498	2.0
278.69308	1.7
281.08127	3.1
297.07629	5.6
299.09290	17.0
327.08716	68.6
328.09021	3.0
329.10297	54.3
330.10809	2.8
334.73792	1.6
339.95102	2.1
366.78262	2.3
463.13763	8.7
471.49539	2.6
475.13751	9.6
493.15106	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.15
Annotation	Isoprincepin
Peak:m/z	Relative Intensity
52.58020	1.3
53.28318	1.1
70.72246	1.9
74.20847	1.3
79.73013	1.5
81.03462	1.4
93.21254	1.2
96.63628	1.2
98.83604	1.3
105.03502	2.8
107.05035	5.9
108.02203	2.6
109.02945	16.7
117.03468	11.1
119.05010	3.7
121.02935	5.1
123.04525	3.8
129.03436	3.7
133.02945	10.4
134.03755	2.8
135.04517	38.7
136.01660	4.4
137.02441	100.0
138.02821	1.8
145.02969	4.3
147.04524	22.7
149.02428	2.6
151.04015	4.4
159.04547	7.2
161.02420	10.2
161.06067	4.0
163.04034	9.9
165.05553	43.5
171.04466	1.9
175.04028	5.9
177.05644	1.5
179.03499	15.1
189.05598	2.5
191.06981	1.5
269.08176	1.7
281.08069	2.7
289.66229	1.4
297.07599	4.2
297.11102	1.5
299.09225	7.0
327.08728	95.9
328.09265	6.6
329.10294	56.5
330.10461	3.8
391.10239	1.6
445.16574	3.5
460.45877	1.3
463.13837	7.8
469.40741	1.3
475.13907	5.6
493.14917	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	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19363	1.1
57.03445	100.0
59.01376	99.9
61.98815	4.4
69.17794	7.1
71.01376	29.4
73.02944	23.6
77.32365	1.3
81.03445	2.1
83.01385	8.3
85.02940	7.5
88.98841	1.6
89.02435	20.3
94.57401	1.1
95.01373	2.1
99.00859	2.3
99.04516	87.0
101.02438	44.6
113.02438	20.5
113.03187	1.7
113.03584	1.6
113.06133	2.4
119.03488	7.9
122.65501	1.4
123.04527	8.3
125.02449	35.8
128.03497	1.2
131.03560	1.8
141.05554	1.3
143.03508	6.3
149.04564	3.2
153.05640	1.6
153.30280	1.2
161.04533	8.0
179.05602	7.6
189.22934	1.2
203.12157	1.3
208.99054	1.3
305.16089	3.7
331.17679	7.4
331.20959	1.4
347.17056	4.0
349.18661	13.7
355.90717	1.3
391.19650	3.0
420.41272	1.5
493.22964	22.6
494.23096	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	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	74.5
59.01380	91.2
59.92194	2.1
61.98829	48.2
67.19431	2.2
69.30901	11.8
71.01386	24.5
71.02514	12.9
73.02949	23.1
73.04060	12.6
74.02468	2.8
79.05525	2.1
81.02198	3.1
83.01385	7.7
85.02943	7.7
89.02424	13.4
91.33883	2.2
95.01340	2.4
96.00920	10.7
98.02482	17.6
99.04517	68.6
101.02449	36.5
105.01925	5.6
109.01700	8.4
109.06612	2.4
113.02435	17.0
113.06075	2.9
117.03465	3.6
117.06682	7.8
118.06599	2.7
119.03506	7.8
123.04534	12.9
125.02451	33.1
127.05146	4.3
129.10330	6.3
135.04478	2.5
138.09308	2.5
139.08786	3.0
140.40962	2.0
142.33189	1.9
143.03488	5.3
143.05037	4.9
145.06218	3.1
147.04518	13.9
149.04492	4.8
155.08276	6.6
161.02434	3.7
161.04565	15.7
164.07167	32.1
165.10316	6.8
166.08743	17.5
167.08200	2.6
179.05630	6.6
199.06400	6.7
209.09268	5.4
210.07706	5.6
217.70636	2.2
221.06599	2.5
257.13791	2.8
259.14420	4.7
269.04544	2.7
283.06100	26.5
293.04404	3.1
295.14484	4.1
311.05637	44.9
313.15604	11.2
331.12701	4.2
341.06488	6.2
349.18536	11.2
357.14520	100.0
357.61313	2.4
358.14893	5.0
375.15579	2.7
391.19754	4.1
430.23969	3.1
431.09790	66.7
431.19308	8.7
433.23825	3.2
475.21997	71.0
476.22083	6.6
493.22714	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06426	1.4
53.04902	1.5
57.03448	95.1
59.01379	100.0
61.98829	81.3
62.98537	1.6
63.62485	1.5
65.45046	1.7
66.10630	1.7
69.90593	3.3
71.01379	28.3
73.02944	49.0
79.05534	2.1
81.03458	4.6
83.01396	11.2
85.02950	7.1
87.00845	1.5
89.02449	24.3
95.01418	2.8
97.02977	2.2
97.06586	3.4
99.00903	1.8
99.04519	92.9
101.02444	55.6
113.02447	22.1
113.06114	4.9
114.25953	1.4
119.03505	10.0
123.04522	22.3
125.02448	41.2
125.03313	3.0
131.03529	5.7
141.05562	3.0
143.03529	10.4
149.04541	6.7
153.05568	4.5
161.04562	29.9
176.79886	1.6
179.05605	12.3
203.05630	2.8
221.06616	5.2
234.20421	1.9
263.07651	4.2
267.12582	2.0
268.12726	1.9
323.09793	5.9
493.22986	16.0
494.22693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
50.70653	0.7
50.98964	0.8
54.12751	0.7
55.01877	0.8
57.03445	90.3
59.01377	100.0
61.98833	5.1
64.72421	0.7
69.03456	2.0
71.01378	35.8
71.36104	0.8
72.84096	0.8
72.99313	0.9
73.02944	46.6
75.00872	1.3
75.73117	0.7
79.05547	2.7
81.03456	3.8
83.01379	10.8
85.02939	8.2
86.63320	0.7
87.00882	2.7
89.02437	33.5
95.01411	2.9
95.05044	1.9
97.02978	1.3
97.06613	2.9
99.01994	1.0
99.04515	73.2
101.02438	61.8
108.02132	0.9
109.06600	1.3
113.02443	26.8
113.06085	4.4
119.03487	12.6
120.99658	4.4
123.04518	23.6
125.02445	33.3
131.03502	6.7
141.05603	3.2
143.03511	8.5
143.10757	0.8
149.04535	10.6
153.05595	4.7
155.03542	1.6
161.04552	35.2
169.12535	1.2
172.78648	0.7
179.05598	19.1
182.64999	1.0
183.06653	0.8
201.07768	0.7
203.05670	2.3
213.15051	1.0
214.15356	1.7
221.06734	3.4
233.06743	2.6
253.09473	0.8
263.07669	8.5
271.19186	2.4
323.09833	10.4
331.17645	1.2
349.18832	4.2
391.19751	1.3
433.20865	1.4
469.15939	0.9
492.31912	1.1
493.22787	7.4
493.30759	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	493.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03448	80.0
59.01379	89.9
61.98832	12.7
71.01384	43.5
71.47173	1.3
73.02947	23.8
75.00877	2.2
77.97863	1.1
81.03472	2.7
83.01379	5.6
85.02951	16.1
87.00884	9.7
89.02447	20.0
95.01383	4.8
99.00882	4.5
99.04522	56.1
101.02443	48.8
111.00877	7.4
113.02456	19.2
119.03490	6.9
120.99624	1.6
125.02442	36.5
130.08678	1.3
141.01985	2.2
141.09204	11.0
143.03505	3.5
143.10788	15.8
159.03040	2.3
161.02452	1.4
161.04555	17.7
187.13307	2.2
203.05594	1.7
258.34909	1.1
267.45117	1.2
301.16541	2.6
313.23953	1.9
331.17661	23.8
331.24866	29.9
332.18329	1.5
349.18658	100.0
350.18878	2.6
391.19717	26.1
431.23236	5.8
475.28476	1.6
493.22992	13.5
493.30057	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59479	1.5
54.65099	1.6
59.01373	1.7
61.98827	4.0
66.80745	1.5
70.78567	3.1
78.95901	2.9
80.63441	1.5
87.67746	1.6
92.79467	1.5
123.92074	1.7
195.13849	8.6
260.16885	1.7
277.21732	9.6
295.22766	100.0
296.23083	3.4
333.04779	1.6
400.57407	1.7
420.06985	2.8
493.26147	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	493.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68198	6.2
61.98824	7.1
64.56149	5.6
69.20721	23.5
69.21136	13.3
100.88282	6.8
104.36938	5.4
144.67094	5.5
171.10262	18.1
176.79320	7.3
277.21817	15.8
295.19644	8.5
295.22751	100.0
389.16904	6.6
432.05887	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	494.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	19.2
59.01381	23.3
59.44896	0.9
61.98829	67.9
66.55453	1.1
69.37490	2.9
69.37890	2.3
69.44070	1.0
71.01389	6.9
73.02940	7.9
77.03993	1.6
83.01372	1.6
85.02950	1.2
87.28777	1.0
89.02446	5.8
93.03419	1.2
99.04523	17.4
100.04876	2.2
101.02445	12.6
102.02797	1.4
105.03484	1.2
113.02441	4.6
117.03471	6.5
119.03537	1.2
121.02977	1.4
123.04504	2.9
125.02444	9.1
126.02868	1.2
135.04553	2.7
148.77274	1.1
149.02466	1.8
159.04529	1.9
161.02449	4.7
161.04521	4.2
163.04012	4.6
165.01715	1.1
179.05649	2.6
191.03516	2.4
203.03448	1.9
215.07133	1.2
239.07156	1.4
268.03769	3.0
269.04486	2.6
281.04626	2.2
282.05515	1.7
283.06104	46.4
284.06461	2.5
293.04474	2.1
295.06226	1.6
311.05606	78.5
312.05917	3.1
322.21082	1.2
323.05588	3.5
341.06650	8.9
353.06555	1.5
357.14413	3.0
431.09814	100.0
432.10233	6.6
494.23160	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	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50740	0.2
57.03455	0.3
59.01367	1.0
61.98828	100.0
62.98509	0.3
69.16990	1.0
71.01388	0.4
73.02943	0.3
89.02460	0.3
101.02480	0.2
107.01407	0.2
113.02457	0.2
239.03847	0.2
240.04228	0.2
268.03741	10.7
269.04468	3.7
283.06149	0.2
311.05609	0.4
431.09799	13.7
432.09961	0.8
433.24780	0.3
463.29193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74127	3.2
57.03432	4.8
59.01363	9.4
61.98820	66.3
69.74494	5.1
69.74828	5.5
79.58856	2.7
99.04506	4.5
101.02454	3.5
117.03427	7.9
123.04472	4.3
227.85043	3.3
244.61865	3.3
281.04407	5.2
283.06036	43.1
311.05594	73.0
323.05505	3.9
341.06467	8.9
431.09790	100.0
432.09814	6.1
451.32944	33.4
484.39520	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	494.216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46041	1.1
59.33976	1.0
61.98818	5.2
62.66268	1.2
71.17636	1.4
73.28549	1.2
78.95902	41.6
80.57446	1.2
94.75634	1.2
96.96960	4.9
103.03139	1.4
143.96562	1.0
152.99585	100.0
171.00656	3.3
333.40045	1.1
392.90164	1.2
431.22018	30.1
432.22253	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	494.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.1
59.01379	35.3
61.98831	100.0
71.01014	3.1
71.01384	46.7
71.46944	1.8
73.02940	16.1
75.00842	3.1
81.46601	1.7
83.01382	6.8
85.02951	19.1
87.00862	2.7
88.04063	1.8
89.02455	12.9
95.01385	3.5
97.02995	2.0
99.00860	5.6
99.04522	3.9
101.02438	38.1
110.72427	2.0
113.02458	22.9
116.40060	1.7
119.03500	5.9
120.99637	7.1
125.02514	3.8
128.25800	1.9
130.08736	2.8
143.03551	3.2
159.02972	2.5
161.04555	22.6
164.07112	3.3
179.05673	3.1
268.03836	3.0
281.04578	2.6
289.16632	17.5
431.10059	8.6
449.51810	2.2
451.21838	70.8
452.22568	3.6
494.22305	2.8
494.33240	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	494.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01372	1.3
61.98823	2.0
63.42818	0.5
68.55028	0.6
76.84512	0.5
79.86469	0.5
81.03471	2.6
83.05023	5.7
99.04531	1.0
101.02431	0.8
118.74084	0.5
121.88924	0.6
125.07198	1.0
133.90198	0.7
143.08220	0.6
174.21048	0.5
216.59666	0.6
224.17575	1.5
225.16049	6.8
333.22995	1.6
351.23856	0.8
367.26950	1.2
431.09610	1.5
433.31802	3.6
451.32858	100.0
452.33206	7.1
494.23581	0.6
494.33423	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	495.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	86.1
62.14258	2.2
70.72881	3.4
71.01382	59.4
72.38120	2.0
73.02940	12.5
85.02933	7.5
85.14546	2.2
89.02444	100.0
96.91005	2.2
97.45316	1.9
101.02438	52.1
113.02474	10.7
119.03507	6.0
131.03516	27.4
149.04561	75.5
161.04518	5.6
163.03955	4.4
191.05566	17.0
221.06624	3.9
251.07535	2.8
293.08759	5.4
311.09891	14.9
429.04462	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	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	88.0
59.01377	100.0
61.98598	1.4
61.98836	14.9
69.52202	3.9
69.52602	2.6
71.01375	27.1
72.99290	2.1
73.02950	8.8
74.02457	1.6
75.00867	2.3
81.03446	1.8
82.88852	1.3
82.95399	1.5
83.01392	4.8
85.02960	11.9
87.00877	1.6
88.98813	3.8
89.02446	10.9
95.01375	1.9
96.73836	1.3
97.78529	1.3
99.00855	3.7
99.04515	97.2
101.02438	42.3
105.01927	3.9
113.02443	13.1
119.03494	3.5
119.04931	1.3
120.99651	2.1
122.06064	1.3
125.02440	42.4
127.05124	1.2
130.08693	1.4
131.03465	1.3
134.03751	9.1
134.80547	1.2
135.04498	4.1
143.03484	5.4
149.06071	6.1
156.79221	1.3
159.03003	1.7
161.04581	8.4
164.04814	1.3
188.59140	1.5
189.14932	1.4
194.08266	1.6
204.06564	1.5
213.76160	1.3
241.09770	2.1
247.10971	1.5
257.12900	9.5
276.95837	1.7
283.06311	1.9
283.10880	6.5
301.11792	2.1
312.06085	2.4
317.15192	1.6
333.19168	25.7
343.12918	2.4
346.17728	7.7
351.20248	33.6
356.16269	1.3
376.18643	1.4
393.21182	11.4
398.66550	1.7
432.09924	2.8
433.24408	1.8
495.24411	26.1
496.24643	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	495.3326
Annotation	26-Hydroxy-24-epi-brassinolide
Peak:m/z	Relative Intensity
59.01377	50.3
59.29046	2.5
64.32643	2.3
69.94415	5.8
71.01380	100.0
72.99310	48.4
73.02950	10.8
75.00849	10.2
75.09950	2.2
85.02953	6.9
87.00874	3.6
89.02449	25.0
99.00879	4.6
99.70490	1.8
101.02437	10.3
103.00366	24.0
111.28495	2.1
115.00337	4.8
133.01430	68.4
133.84436	2.0
163.02489	3.3
243.47325	2.1
387.32407	3.8
415.32159	36.0
477.32547	2.4
495.33228	56.9
496.33728	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	496.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32935	0.2
55.82022	0.2
56.06580	0.2
57.01316	0.2
59.01376	0.8
60.52624	0.2
61.98829	100.0
62.47198	0.2
62.49239	0.2
65.37335	0.2
69.29472	0.5
69.29872	0.7
71.01390	0.4
72.59305	0.2
92.74661	0.2
120.99665	0.5
134.03761	0.9
149.18164	0.2
346.17722	0.3
379.62503	0.3
427.95154	0.3
433.10980	0.3
495.32071	0.3
496.24911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.70790	0.3
61.98830	100.0
62.50975	0.2
65.67619	0.2
69.68507	0.4
69.68880	0.5
71.01413	0.3
76.57104	0.2
78.95908	0.3
82.95417	0.3
85.02948	0.2
93.76560	0.2
98.21912	0.3
103.04012	0.3
120.99587	0.2
134.03745	0.3
149.06100	0.3
153.50758	0.2
216.61778	0.2
234.46786	0.2
290.10263	0.2
330.53793	0.2
340.08337	0.3
496.28922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	3.8
89.23126	1.3
94.80881	1.3
96.34082	1.4
96.58732	1.3
107.05044	1.4
133.03000	3.1
134.03738	100.0
135.04532	40.5
146.38092	1.4
147.04527	2.1
148.05278	8.9
149.06078	66.4
160.01643	2.3
161.06053	3.3
175.04025	3.8
176.03523	5.3
176.46472	1.3
190.05121	5.0
204.06670	7.9
218.08255	1.8
247.10887	7.6
261.12448	2.9
275.13806	1.7
287.13907	3.2
288.14716	2.0
304.16678	9.7
305.17551	2.8
320.20148	1.5
330.14487	10.7
331.15408	15.6
346.17691	69.6
347.18140	3.5
353.46838	1.3
451.32629	2.4
453.33090	2.5
481.21771	1.7
496.24521	65.7
497.24738	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	496.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45287	1.2
59.01377	7.7
61.98824	2.5
70.92493	1.7
71.01390	3.7
80.27145	1.3
84.00907	7.2
89.02444	3.0
101.02457	5.2
113.02461	6.2
119.03510	3.0
123.36120	1.2
125.04651	1.3
161.04570	2.0
165.12851	13.2
204.05142	2.7
213.05115	1.3
245.03081	1.3
247.20604	4.7
273.18628	2.9
291.19659	100.0
292.20053	4.6
305.21344	2.7
333.20663	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	496.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61908	3.5
61.98827	6.1
73.48970	3.9
74.02470	54.6
85.10474	3.8
91.41138	4.1
116.05042	15.8
159.09262	6.3
170.79694	3.6
203.08241	29.3
213.64595	4.3
221.33176	4.2
306.86578	5.2
367.22021	6.0
434.86646	4.3
496.28183	100.0
497.28366	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	497.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.1
59.01384	9.8
61.98829	8.7
71.01388	4.0
75.00870	2.1
75.04788	1.3
82.95438	1.9
89.02444	3.9
91.76521	1.3
96.96038	1.5
99.04531	2.4
100.71773	1.4
101.02442	4.5
103.79453	1.4
105.01909	2.5
110.47665	1.2
113.02431	1.7
113.19028	1.4
114.65939	1.5
115.97090	1.3
120.99654	2.3
125.02426	2.1
130.08810	1.8
134.03722	1.9
135.04523	1.5
161.22406	1.3
255.02977	45.8
256.03375	2.0
269.04501	1.9
283.02475	38.5
284.03168	7.8
297.04044	8.9
298.04816	13.9
299.05472	10.3
313.03543	3.0
446.08578	23.9
461.10892	100.0
462.11148	4.5
497.24582	6.2
500.20465	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	497.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44274	0.5
57.03461	0.6
59.01379	18.9
61.98839	2.5
65.07037	0.5
66.11306	0.5
67.52435	0.4
69.45640	2.0
70.02993	1.8
71.01383	11.1
72.99322	0.7
73.02956	2.2
74.02473	1.2
75.76377	0.5
83.01427	0.7
85.02957	2.6
85.03426	0.4
89.02448	10.3
95.01372	0.7
96.96030	0.8
99.00892	2.2
99.04546	0.5
100.00449	0.9
100.05921	0.5
101.02446	7.6
105.01971	1.8
113.02446	3.5
119.03512	3.5
125.02502	0.6
130.08730	0.6
131.03572	0.9
133.01205	1.7
134.06104	0.5
135.04535	1.8
136.07794	0.6
145.07713	2.6
149.00688	1.3
149.04622	0.5
152.07185	0.5
155.03804	0.7
155.10730	0.5
157.12415	0.9
161.00700	1.7
161.04614	0.8
163.00977	4.0
164.01750	1.2
166.05095	1.5
173.11836	0.8
174.00166	4.6
175.02357	0.5
176.01744	2.3
179.03494	1.3
183.03239	1.8
187.01033	1.0
188.00461	0.5
188.01807	4.2
190.03304	7.7
191.00476	7.2
192.01253	2.4
192.04936	0.9
192.53819	0.4
197.04945	0.6
201.99690	6.9
202.03354	4.6
203.12843	3.1
204.04910	1.3
210.04050	0.9
211.05138	0.9
215.00458	0.7
216.01297	5.6
218.02797	17.1
219.03355	0.5
230.02855	7.2
234.02121	0.6
239.04628	1.4
241.05931	0.5
245.01445	1.0
245.03915	5.0
246.02309	1.3
247.05367	4.7
252.05208	0.5
255.54851	0.4
260.00168	1.0
271.02072	0.5
273.03394	100.0
274.03714	3.3
289.03128	0.6
291.04489	3.6
299.01233	1.4
305.16220	0.6
317.02371	1.8
323.12238	0.6
335.03455	5.7
335.07516	1.0
335.12149	0.7
335.17084	2.9
372.09360	1.2
382.05954	0.6
430.15210	0.5
430.75153	0.5
437.20355	1.0
453.09738	3.4
497.08578	8.3
497.22372	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
56.91836	0.2
57.03444	2.2
58.00598	0.4
59.01379	21.6
61.98835	1.3
71.01380	20.6
72.99290	0.5
73.02946	8.9
74.02475	0.3
75.00880	0.4
77.40141	0.3
78.91870	0.4
82.35320	0.2
83.01390	5.3
85.02948	12.6
86.00090	0.5
87.00883	1.6
89.02451	3.4
95.01382	1.6
96.96009	0.4
97.02965	0.6
99.00890	2.7
99.04511	0.6
101.02444	18.6
105.01958	0.5
111.00867	0.4
113.02453	8.3
119.03492	0.9
120.99616	0.5
125.02428	0.8
143.03456	0.5
159.02988	1.1
161.04556	3.4
175.02467	0.3
179.07196	0.4
205.05324	0.3
243.17502	0.3
255.02849	0.4
256.03793	0.5
261.18561	0.5
271.17252	0.3
273.18695	0.3
284.03192	2.5
285.03671	0.3
289.16583	0.7
290.16287	0.2
291.19730	0.9
299.05673	2.1
307.19107	0.8
317.17670	0.6
335.18604	0.7
343.26120	0.3
401.78308	0.3
435.23727	0.3
451.21841	3.4
461.10599	1.1
461.27542	0.5
469.24445	1.1
497.23904	100.0
498.24210	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	497.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11796	1.1
55.06377	1.1
56.35078	1.0
59.01075	2.4
59.01376	58.2
71.01377	100.0
72.99305	55.1
73.02952	8.8
75.00867	10.3
83.01376	1.8
84.02154	2.5
85.02956	12.1
87.00868	3.2
89.02438	35.1
99.00870	1.5
101.02438	10.6
103.00372	23.6
115.00386	6.1
133.01434	91.7
134.01707	1.5
163.02510	8.0
349.31125	1.4
352.00250	1.6
354.75623	1.2
363.32465	3.9
364.60641	1.3
375.32538	2.7
389.34174	5.6
399.32703	1.8
403.32230	2.6
417.33698	39.3
417.39252	2.2
418.34222	3.2
433.33127	1.5
435.34824	2.4
479.33780	3.1
497.34799	84.5
498.34955	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	497.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27583	3.3
59.01382	24.8
70.35320	8.8
71.01390	9.0
86.54617	3.7
103.00361	100.0
103.30809	3.7
119.04347	3.8
203.20215	4.3
497.34601	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	497.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34130	3.4
53.52388	3.2
57.03450	3.2
59.01363	12.3
69.22604	10.9
69.23008	6.2
71.01375	8.3
75.00868	74.5
85.02962	4.6
98.22708	6.3
99.00872	9.8
101.49183	3.0
129.01947	10.6
144.37631	3.2
152.99622	3.9
153.96350	3.5
269.24854	7.4
360.46027	3.3
497.27704	7.4
497.34811	100.0
498.35330	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
61.98828	100.0
72.13825	0.2
95.06689	0.2
98.21897	0.5
120.45515	0.2
183.13904	0.4
314.89490	0.2
402.18591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	37.1
69.37518	77.4
69.37904	48.5
100.48642	29.5
141.30544	25.3
147.23918	26.2
156.15521	27.3
160.61829	30.3
210.11949	31.3
293.21283	100.0
310.31183	29.7
498.54187	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05161	0.9
59.01376	2.7
61.98814	1.7
69.68224	1.5
71.01360	2.5
78.95946	0.9
85.02950	1.1
96.95961	1.6
103.63650	0.9
113.02437	3.9
119.03487	1.0
121.81069	1.1
161.04620	1.2
169.15292	1.0
195.13887	4.3
206.01335	1.2
223.13365	2.8
275.20050	2.3
293.21213	100.0
294.21558	3.5
307.22940	1.3
315.41522	1.1
317.21219	2.0
335.22192	1.7
402.31958	1.1
498.28662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2893
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
52.51060	0.2
58.43465	0.2
69.82236	0.5
69.82579	0.3
79.95734	8.1
80.96507	2.9
85.09151	0.2
99.34627	0.2
102.23005	0.2
106.98092	3.5
123.99999	0.2
124.00735	4.1
211.56435	0.2
223.77660	0.2
245.60136	0.2
257.43301	0.2
280.57831	0.2
282.24182	0.2
315.63434	0.2
406.22015	0.2
498.28922	100.0
499.29269	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	499.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23594	0.9
59.01379	100.0
66.64249	0.9
68.88252	0.9
70.84934	1.3
71.01379	21.5
72.99281	1.6
75.00871	1.0
75.14030	0.8
77.45931	0.8
85.02964	3.8
87.00912	1.3
89.02442	34.8
89.03005	1.7
94.55999	0.9
95.01459	1.1
96.96983	0.9
99.00890	1.0
101.02451	14.6
105.01922	7.0
106.98902	0.8
112.15794	0.9
113.02446	12.2
117.01968	1.6
119.03481	10.8
131.03592	1.8
143.03522	2.1
156.97878	1.7
156.99086	18.5
158.04610	1.5
161.04593	4.0
179.05643	9.7
202.99722	0.9
217.00255	1.2
220.90413	1.0
236.12453	0.9
249.71484	0.9
334.78470	0.9
341.10867	95.5
342.11325	4.3
343.11288	1.0
344.66238	0.9
394.11835	1.1
401.12180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.22157	0.9
71.01378	20.4
85.02946	2.1
87.00875	2.4
89.02442	30.6
95.01421	1.5
101.02438	11.9
111.00863	1.5
112.01708	1.0
113.02443	11.7
119.03499	10.5
131.03450	1.1
143.03517	2.5
156.99091	15.3
161.04559	2.8
166.07884	1.0
174.12839	1.0
179.05626	10.5
198.60023	1.0
217.00185	1.6
263.76810	0.9
273.34424	0.9
341.10855	99.1
342.11267	5.4
352.60205	0.9
359.74173	1.1
439.07938	1.4
445.49014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
59.01379	53.0
61.98832	5.5
69.98557	1.7
71.01383	2.0
73.02944	6.5
75.00887	0.6
82.95422	0.9
85.02947	1.1
89.02470	1.0
96.96026	0.7
98.90735	0.6
99.04515	1.5
101.02424	1.7
113.02442	0.7
123.04497	1.0
125.02454	0.9
127.05147	0.8
128.03558	1.9
130.08739	3.7
134.03746	1.8
135.04520	1.5
145.03006	1.4
151.00432	0.8
153.05632	0.9
180.10260	1.3
207.13795	3.4
209.11789	0.9
225.14943	5.1
227.12856	12.4
251.12779	1.3
255.02991	1.5
269.13867	2.1
277.10797	2.4
283.02420	1.0
283.15506	16.6
299.05728	0.8
301.07385	4.8
301.16550	100.0
302.16879	4.4
336.19339	0.7
354.20181	0.7
461.10410	2.9
463.11356	0.7
470.44214	0.7
489.76517	0.9
498.32776	0.8
498.77481	1.5
499.19037	2.0
499.26660	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	499.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39763	1.5
52.66022	1.5
57.03447	5.2
59.01377	18.8
59.52198	1.6
61.98831	17.5
62.06220	1.7
62.52094	1.5
63.52969	1.3
71.01386	12.0
71.13209	1.4
71.45502	2.3
73.02971	2.7
82.95425	4.4
83.01442	2.2
83.05002	1.5
85.02937	3.4
89.02451	8.9
91.05247	1.4
96.96007	1.9
99.00894	1.8
99.04522	6.0
101.02448	6.5
113.02448	6.0
119.03503	2.4
128.03485	1.9
136.34254	1.6
136.67815	1.5
140.30737	1.4
143.03549	1.7
151.07626	1.9
161.04558	1.9
165.12875	6.3
175.02509	2.6
179.05539	1.8
183.13882	76.8
184.14355	1.9
193.99521	1.6
209.11726	1.5
211.07558	1.4
227.12874	7.0
242.10309	1.5
251.13147	1.8
301.16556	100.0
302.16818	3.2
321.67722	1.8
453.23569	4.6
499.19553	6.0
499.32666	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	499.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01372	8.6
61.98826	6.2
69.50687	2.6
69.51073	2.0
71.01373	2.6
73.02972	1.6
85.02923	1.5
85.41612	0.8
88.12936	1.0
89.02428	2.9
96.96016	3.3
99.04529	1.7
101.02436	3.3
105.01976	1.1
113.02462	1.6
119.03515	1.2
126.90495	1.1
143.44142	0.9
161.04529	0.9
165.12825	5.5
179.05653	1.2
183.13892	88.6
184.14273	2.4
209.11856	3.4
215.96152	1.0
227.12901	6.8
282.75742	0.9
301.16553	100.0
302.16815	4.1
325.16644	1.3
499.19247	7.4
499.32275	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	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
70.45589	0.7
71.01382	4.1
73.02958	0.8
76.56921	0.3
78.95917	0.7
79.95741	0.8
83.01373	0.3
85.02949	2.2
89.02438	1.8
93.52992	0.3
95.01388	0.5
95.05056	0.4
101.02453	3.5
113.02456	4.6
119.03514	1.6
152.99591	1.0
161.04520	2.1
192.78081	0.3
221.06705	0.6
233.22603	0.5
255.20905	0.4
263.84518	0.3
273.22052	0.3
277.21729	80.9
278.22043	2.9
291.23343	2.4
301.21695	0.4
319.22800	1.9
326.60538	0.3
331.22589	0.4
349.24084	0.4
498.92917	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	499.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	8.3
69.30541	26.8
75.00863	42.6
75.09341	4.8
98.21933	11.4
99.00896	4.6
113.40518	4.7
114.05139	4.5
116.50015	5.3
120.12810	5.1
129.01888	9.1
139.04024	14.7
295.08707	5.7
436.43582	5.7
455.61627	5.6
499.36917	100.0
500.37738	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	500.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
69.08166	0.6
69.74217	2.7
71.01383	0.7
73.02935	1.0
78.11388	0.7
83.06134	2.2
101.02460	1.0
108.05661	0.8
110.07260	0.9
112.08807	1.6
114.05585	3.1
116.77534	0.8
117.01928	2.9
129.99994	1.0
130.08731	24.6
131.08261	100.0
132.08589	1.0
138.47954	0.7
147.68217	0.8
150.05215	2.8
154.01076	1.6
156.07802	8.3
164.93188	0.7
170.94012	1.0
173.10431	49.2
174.10759	0.7
178.04700	2.0
185.00569	4.1
188.07848	1.4
196.05766	38.0
197.05891	0.9
197.07808	1.8
212.08916	1.2
220.06914	2.8
242.09024	1.2
243.08353	8.3
244.07974	1.5
251.06194	1.0
261.12192	1.4
288.07599	1.8
302.15945	1.7
303.15366	1.3
309.14157	36.7
310.13712	26.3
311.13968	1.2
318.10690	1.1
326.16815	23.7
327.16409	6.4
335.13177	8.5
342.14685	1.1
352.15878	17.9
353.16095	1.3
359.14987	1.1
369.14096	4.3
369.18466	67.3
370.18710	3.1
441.18631	0.7
500.27975	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	500.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
61.98819	2.6
64.77793	1.9
65.34439	2.0
67.85381	2.4
70.12711	5.4
70.13045	2.3
70.55560	2.2
71.40203	2.1
97.36293	2.3
132.66713	2.1
143.02847	2.0
191.69672	2.5
195.13908	8.4
277.21725	6.4
295.22769	100.0
296.23059	3.1
326.51294	2.6
455.59778	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37018	1.2
59.01379	92.1
69.39156	5.7
72.99297	1.4
132.98189	1.8
134.97057	5.8
157.03583	5.2
159.01460	3.3
174.99237	22.5
176.98102	6.9
178.95058	2.3
178.97701	2.1
183.98172	1.4
184.01030	3.5
185.01076	1.8
201.02545	46.7
202.02737	3.6
203.02399	1.8
216.92482	2.0
217.00287	100.0
223.47530	1.4
234.97171	1.9
276.98178	10.5
292.96289	2.3
318.99585	1.3
343.03824	8.3
359.01459	70.1
360.01526	2.9
403.02771	1.5
500.99255	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	501.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01380	9.1
61.98830	6.1
69.51981	1.3
71.01379	3.4
72.99360	0.3
73.02935	1.3
73.31108	0.3
79.95755	0.4
81.03477	0.3
82.95419	0.5
83.01361	0.4
85.02948	1.3
87.00892	0.6
88.04034	0.5
88.98802	0.4
89.02455	1.7
89.03952	1.6
94.25552	0.3
95.05042	0.3
95.51515	0.3
96.96011	2.5
98.95559	0.5
99.00844	0.3
99.04526	4.7
101.02455	2.8
104.02673	0.3
105.03448	2.5
113.02438	1.7
115.00381	0.8
119.03492	0.4
122.03506	0.4
125.02444	2.4
128.03506	0.6
130.08748	4.0
131.09106	0.4
133.02957	9.2
135.04501	1.5
138.05673	0.4
139.63029	0.3
143.03458	0.5
148.01662	0.5
149.02390	0.8
161.02460	5.2
161.04565	1.0
176.01202	0.6
177.01926	100.0
178.02251	2.6
179.03491	0.7
179.10756	0.4
186.12430	0.4
214.03189	0.3
223.09694	0.8
283.06064	0.4
285.12332	0.6
303.13556	0.5
311.05710	0.4
323.07764	2.2
339.07214	18.8
339.14474	1.0
340.07584	1.0
357.15622	1.5
399.16544	1.3
441.22299	0.6
463.22235	0.4
465.18961	0.5
470.29736	0.5
500.24695	0.8
500.31064	1.1
501.10260	9.8
501.19635	1.1
501.25287	1.3
501.31546	0.5
502.10645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25220	0.8
55.01858	0.8
57.03450	41.0
59.01380	100.0
61.98828	4.1
69.21374	4.6
71.01014	1.3
71.01384	19.5
73.02946	5.6
75.00854	1.3
81.03463	1.9
82.95423	1.3
83.01376	2.2
83.41576	0.8
85.02956	6.8
87.00889	1.3
88.04032	1.4
88.98785	1.2
89.01928	1.4
89.02447	16.0
95.01368	1.2
96.95992	2.0
99.00886	1.9
99.04523	61.7
101.01790	1.2
101.02446	22.0
102.91073	0.8
112.65889	0.8
113.02457	8.9
115.00391	1.7
119.03522	4.4
125.02455	32.7
128.03539	2.5
130.08748	1.9
131.03514	1.0
133.02930	3.3
143.03491	2.8
149.04527	1.2
161.02492	1.8
161.04558	5.8
177.01930	25.2
177.09198	5.8
179.05614	1.4
179.10759	2.2
195.10271	2.4
223.09744	4.8
227.38254	0.8
248.81987	0.8
267.63345	0.8
287.71384	0.8
339.07431	1.0
339.14423	4.2
357.15536	15.6
385.15146	1.0
399.16650	16.9
439.19678	2.4
457.20892	4.1
466.22318	1.2
501.19708	10.5
501.25479	0.9
501.31628	1.1
507.78531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2109
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
59.01387	25.4
61.98822	100.0
69.95111	29.1
89.02454	30.5
105.44227	18.0
149.04535	31.5
189.18336	18.2
233.90405	16.9
317.02090	17.8
317.05576	20.4
501.21127	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.5
68.66122	0.8
71.01381	2.1
73.04057	1.0
74.02486	0.9
82.02985	2.8
82.06602	3.2
82.85934	0.6
84.04543	3.1
84.08181	1.2
85.02925	1.1
96.96019	4.0
98.02451	1.0
98.21780	1.5
99.04489	0.8
100.04027	1.3
101.07201	9.6
102.05601	21.0
109.04069	4.7
111.05653	0.7
112.04027	0.7
112.98576	0.7
114.93420	3.5
115.00318	0.9
115.03989	1.5
120.15713	0.7
125.03558	0.8
127.05125	15.1
128.03532	72.2
129.10359	3.5
130.08730	18.6
136.11354	0.9
139.08775	1.5
140.06160	0.7
140.07155	4.1
145.06181	18.1
146.04581	20.4
146.05688	1.4
155.08250	1.4
164.09480	0.8
166.08722	1.1
169.09866	0.8
169.13445	0.7
171.15012	4.0
179.11852	1.7
180.10277	10.4
193.05049	1.5
195.11342	2.3
197.12971	4.6
199.18037	1.4
207.15051	1.1
215.13980	3.0
222.12511	1.5
223.10783	4.6
225.16212	2.1
241.11942	6.9
243.17116	1.4
258.85696	0.7
259.12924	2.1
284.23486	1.1
292.20264	1.2
310.21323	2.3
328.22198	1.3
354.20306	11.4
372.21341	27.7
439.25610	1.5
483.24567	14.8
484.24158	1.2
501.25696	100.0
502.25961	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	501.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67579	1.1
59.01376	100.0
61.37612	1.2
61.98826	1.5
71.01386	4.2
78.95901	14.5
85.02930	2.1
89.02457	3.1
96.96954	1.6
101.02425	2.2
113.02460	4.0
119.03461	1.6
152.99586	24.3
161.04579	2.4
164.77081	1.3
279.23270	98.9
280.23651	3.1
293.24847	2.2
294.06885	1.1
321.24133	2.0
355.45358	1.6
433.23553	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	501.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52475	1.2
72.75876	0.7
95.05021	4.3
95.46265	0.7
98.21862	0.8
126.03249	0.9
139.04010	70.7
140.04385	0.8
140.19862	0.7
149.09706	2.2
152.04825	2.3
163.11311	2.6
257.81049	0.8
279.19568	2.3
281.21487	1.0
325.21689	1.1
375.78400	0.8
395.11438	1.1
501.39514	100.0
502.39990	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	501.395
Annotation	docosyl ferulate
Peak:m/z	Relative Intensity
53.18050	0.4
53.70396	0.3
53.87346	0.3
71.22630	0.5
89.33606	0.4
94.83649	0.5
95.04998	1.6
102.43208	0.4
123.93918	0.4
125.22409	0.5
126.03251	0.6
139.04015	28.0
152.04773	1.1
153.95825	0.4
167.54573	0.4
232.44258	0.4
279.19525	0.8
281.21109	0.4
451.98859	0.4
501.39508	100.0
502.39905	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	501.3947
Annotation	docosyl ferulate
Peak:m/z	Relative Intensity
60.51189	0.2
62.66325	0.3
65.06229	0.2
71.21262	0.3
80.02698	0.5
95.05026	2.5
115.29121	0.3
126.03226	0.4
127.21078	0.2
139.04010	43.6
140.04358	0.6
158.02103	0.4
166.06374	0.5
179.07199	0.6
181.08733	0.4
195.10291	0.3
279.19662	2.1
281.21176	0.8
501.39487	100.0
502.39786	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	501.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05877	0.6
71.22330	0.8
95.05040	3.9
110.02191	0.8
139.04015	71.5
140.04382	0.8
195.10229	1.0
279.19748	3.6
281.21103	1.5
501.39505	100.0
502.39859	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.32359	0.4
70.07587	0.4
70.97494	0.5
178.01096	0.3
199.83479	0.4
272.04608	0.3
336.38647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03176	0.1
59.01380	1.0
61.98813	0.1
65.12061	0.1
67.49599	0.1
69.61538	0.3
70.29218	0.1
71.01380	0.3
78.95902	6.8
83.05038	0.2
97.06593	0.1
127.07612	0.2
152.99611	0.7
168.04312	2.0
174.60960	0.1
182.13100	0.1
194.05789	0.1
205.19614	0.1
209.88881	0.1
224.06926	1.1
233.20561	0.1
233.22682	0.4
235.36253	0.1
242.07990	3.1
259.20609	0.4
275.20032	0.5
277.21710	100.0
278.22037	4.1
502.29373	10.9
503.29611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12294	1.9
59.01383	12.9
59.72992	1.9
63.34299	1.9
69.43758	10.3
77.03974	4.6
77.51305	1.9
79.02995	1.7
89.02451	5.1
95.02551	1.7
95.05001	6.7
96.59230	1.8
103.00344	2.3
103.01482	3.9
105.03447	24.7
109.46470	1.9
117.03449	15.2
119.05011	4.5
133.02960	97.1
145.02953	100.0
146.03264	2.6
147.04561	2.3
156.50258	2.0
161.02350	3.0
161.06139	2.2
163.04016	14.9
175.04005	2.0
177.01929	44.1
187.03984	5.3
225.05618	2.1
244.15651	2.1
253.08720	8.9
323.05450	3.0
325.09250	34.2
462.52676	2.3
493.77664	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	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
63.85397	0.5
71.01370	1.1
71.27659	0.7
72.57481	0.5
77.03964	3.4
85.02960	0.5
87.00839	0.5
89.02467	1.0
89.03954	1.5
90.89212	0.5
93.03448	0.8
95.05029	7.2
96.00893	0.5
96.95982	1.1
101.02434	0.8
105.03459	21.0
109.02932	0.8
113.02444	0.8
114.05575	0.6
117.03457	1.7
119.05025	1.4
120.01266	0.6
121.02957	0.8
123.04516	1.9
125.02439	1.0
128.03552	1.6
133.02953	100.0
134.03302	1.0
137.02420	0.6
143.04962	0.9
145.02943	17.2
151.03973	0.9
152.07616	0.6
159.04582	0.7
161.02510	0.7
163.04045	2.7
167.03494	1.8
177.01920	54.6
178.02203	1.3
187.04036	1.0
205.86696	0.5
230.01830	0.6
233.06180	0.5
243.06653	3.1
253.08810	1.2
297.07529	1.0
323.05664	0.7
325.09302	6.5
341.06573	0.8
345.06033	1.3
383.19537	0.6
432.46649	0.6
444.84698	0.5
465.10217	0.7
503.11935	1.0
503.25034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1198
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.90720	1.5
53.36960	1.2
57.03434	5.9
59.01377	23.1
61.98831	14.4
63.63819	1.4
69.27945	2.6
69.28345	5.1
71.01400	9.7
73.02949	2.2
82.02969	2.3
82.95408	2.0
83.01394	1.9
85.02956	3.4
87.00885	1.6
88.04049	1.8
89.02412	7.3
90.99316	1.3
92.02466	1.5
96.96053	1.4
98.02496	7.9
98.21843	2.3
99.04514	6.8
99.05618	2.0
101.02455	5.5
101.07176	1.5
103.42567	1.6
109.02928	1.9
109.04058	4.0
111.35251	1.4
113.02453	4.3
114.05593	2.1
119.03451	1.7
119.05042	1.8
120.99657	1.9
125.02513	1.9
127.05138	22.0
128.03534	3.9
129.60449	1.4
130.08723	5.8
133.02950	35.5
135.04521	36.6
141.10356	2.1
143.04613	2.4
145.02914	1.9
149.06059	4.5
152.07170	2.7
161.02441	100.0
162.02835	3.3
169.09787	2.4
175.04047	2.6
177.05569	10.3
179.03484	50.7
181.12296	2.0
189.42369	1.7
203.03499	3.2
221.04530	20.4
225.11320	6.0
236.13995	5.3
237.12431	3.7
251.05600	25.1
254.62151	1.5
281.06683	29.1
311.05457	2.3
312.05859	1.7
312.15665	29.4
316.62512	1.4
323.07654	5.7
335.05344	1.9
341.08801	44.2
342.08984	2.0
372.16006	2.4
432.09766	2.9
443.19437	2.3
503.11856	27.9
503.22128	25.2
516.17682	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	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32710	0.4
56.42693	0.4
57.65621	0.4
59.01379	4.7
60.73708	0.5
69.36407	2.2
71.01385	2.8
81.15913	0.5
85.02960	0.6
89.02443	1.9
90.98377	0.5
113.02430	0.8
117.03476	1.1
132.02182	1.9
133.02953	19.4
134.03761	0.8
135.04521	25.9
136.97041	0.5
149.06065	1.0
160.01660	2.9
161.02441	100.0
162.02731	2.7
174.46776	0.5
177.05592	1.9
179.03494	43.1
203.03485	2.8
221.04535	1.9
243.06775	0.7
247.55603	0.5
281.06677	1.2
301.86768	0.4
323.07693	5.5
324.07553	0.5
341.08765	49.4
342.09164	1.7
383.09924	0.7
418.90582	0.5
503.14114	18.5
504.14502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53110	0.3
51.56697	0.3
59.01116	0.4
59.01380	4.1
59.69748	0.3
70.02538	0.9
71.01381	2.0
72.51044	0.3
85.02939	0.6
89.02431	1.6
93.98908	0.3
96.71079	0.3
96.96066	0.3
101.02431	0.9
102.90073	0.3
109.02991	0.4
109.83195	0.3
113.02485	0.7
117.03429	0.3
119.03529	0.5
132.02194	0.7
133.02959	19.9
134.03799	0.4
135.04524	10.9
149.06076	0.6
161.02441	100.0
162.02786	2.3
175.04024	1.1
177.05574	1.2
179.03491	22.7
203.03484	2.9
206.98891	0.3
212.98961	0.3
221.04564	2.0
225.05630	0.4
228.38882	0.4
251.05640	0.5
253.08722	0.5
281.06903	0.8
297.07965	0.3
341.08759	51.5
342.09103	1.7
503.13965	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95941	0.3
59.01385	5.2
69.94385	0.6
69.94756	0.6
71.01383	5.6
73.02941	0.6
73.39917	0.3
75.95789	0.2
83.01380	0.5
85.02949	0.7
87.00909	0.3
89.02448	5.9
95.01441	0.4
101.02453	2.7
105.03470	0.3
111.00883	0.3
113.02445	1.8
117.03489	0.3
119.03487	0.4
125.02461	0.4
129.01947	1.2
132.02159	1.0
133.02956	21.0
134.03699	0.4
135.04527	14.0
149.06081	0.7
149.25897	0.3
150.11884	0.3
159.04338	0.3
161.02444	100.0
162.02789	2.5
175.03954	0.6
177.05588	0.9
179.03497	33.0
179.05531	2.1
180.03770	0.8
189.05539	0.4
193.80542	0.4
203.03503	4.5
221.04488	1.3
221.06664	1.9
233.04565	0.6
236.95651	0.3
268.58655	0.2
338.02930	0.3
341.08795	2.3
383.10114	1.5
443.12094	1.5
503.14072	19.7
504.14337	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
64.67662	0.4
65.06883	0.5
69.65912	1.3
69.85602	0.4
71.01376	3.4
73.02948	1.3
74.02462	0.6
85.02946	1.8
87.06564	0.4
89.02445	2.4
95.01385	0.9
101.02434	2.6
107.05025	0.6
109.02954	0.6
113.02445	1.8
117.03429	0.7
123.94233	0.4
127.05080	0.5
128.03531	0.5
132.02174	1.7
133.02951	24.5
134.03737	0.7
135.04517	15.6
149.06071	1.1
160.01601	0.7
161.02438	100.0
162.02795	2.6
175.04036	0.8
177.01906	0.8
177.05553	1.4
179.03488	28.2
180.03851	1.2
203.03484	5.1
221.04597	1.8
245.04503	1.7
253.08797	0.6
281.06845	0.5
281.13907	0.5
297.07675	0.6
298.32117	0.4
305.06607	0.4
323.07938	2.1
341.08768	13.1
342.08762	0.4
365.08914	0.5
443.12173	0.7
503.13998	16.6
504.14172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39426	0.6
56.13154	0.8
59.01381	6.6
61.98823	0.8
65.34189	0.6
70.29224	1.5
71.01379	5.4
73.02977	0.8
74.02515	1.2
77.03983	1.1
77.17204	0.7
85.02959	1.3
89.02457	3.7
91.05514	0.9
95.05042	2.5
96.96018	4.8
101.02428	3.7
101.75912	0.8
105.03458	5.0
109.02985	1.3
113.02458	1.7
117.03474	2.5
119.03532	0.9
119.05060	0.9
120.01136	0.6
132.02182	1.2
133.02960	49.5
134.03743	2.2
135.02960	0.8
135.04530	20.0
137.02422	0.9
145.02969	10.8
147.04549	1.2
149.06075	1.4
161.02448	100.0
162.02811	2.3
163.03979	1.9
166.05344	0.9
177.01941	8.3
177.05450	3.4
179.03494	23.9
184.91528	0.7
202.43156	0.7
203.03479	2.9
211.61215	0.8
221.04590	4.1
225.05522	1.6
240.13493	1.1
251.05544	2.5
253.08702	3.6
263.13885	2.7
279.06522	1.2
281.06711	4.9
297.07483	1.1
323.08133	3.6
325.09329	4.6
341.08505	3.7
341.12418	1.3
503.13831	38.9
504.14230	2.8
524.40790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	77.1
61.98820	11.1
69.03455	7.0
71.01380	66.4
71.43987	9.4
72.20638	6.5
73.02945	7.9
73.55914	6.0
75.03043	7.2
85.02953	10.2
89.02439	77.9
89.93981	6.7
98.22176	7.7
101.02418	19.2
110.30003	6.7
119.03524	8.0
125.02419	31.8
126.08874	6.4
128.00729	6.2
131.03532	9.4
134.03726	53.8
143.02069	6.5
149.04594	17.9
149.06067	30.4
163.82657	6.9
166.27052	7.5
171.45274	6.4
191.05653	7.1
233.06541	34.2
252.07880	10.2
293.08771	100.0
295.09283	6.9
311.09177	14.5
323.09259	25.3
486.22321	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	503.177
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
59.01373	5.3
61.98818	4.9
71.01395	4.4
71.30392	1.4
75.24795	1.3
89.02447	4.8
96.96011	1.6
101.02456	2.9
113.02425	2.2
119.03529	3.2
125.02441	2.7
161.04517	1.5
163.04013	2.4
164.04793	100.0
165.05145	1.6
179.07130	91.1
221.06644	3.3
323.09741	5.2
329.46432	1.4
440.05463	1.5
503.17438	4.4
503.29901	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.3
59.01380	96.8
61.98819	6.2
70.68275	2.7
71.01373	12.4
73.02946	59.8
75.00818	2.3
78.03316	1.7
78.95924	2.0
83.01376	2.5
83.05019	7.0
85.02949	4.7
89.02444	10.7
95.05045	5.8
96.96036	4.7
99.04512	4.3
101.02443	10.0
106.16369	1.5
113.02428	11.0
119.03493	4.5
125.02388	1.7
125.06065	9.9
145.10248	3.0
146.68909	1.9
147.08223	1.6
161.04445	2.0
161.09676	2.8
163.11273	5.6
171.08281	2.1
187.11270	13.9
203.10788	2.4
205.12311	8.5
207.10252	30.8
219.13928	3.8
231.10214	2.1
249.11314	6.2
263.12888	14.6
281.13940	100.0
282.14261	3.7
305.13983	6.7
323.15067	2.0
405.20578	2.5
503.18793	2.5
503.26279	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33915	2.7
57.03448	17.5
59.01378	100.0
61.98501	4.1
61.98829	84.8
63.51096	2.6
69.30796	16.6
71.01374	24.7
73.02946	43.5
74.71223	3.4
75.00880	5.9
78.58126	3.1
83.01395	3.3
85.02937	5.9
87.00875	10.8
88.04050	2.6
89.02448	32.5
96.00927	3.0
99.00877	5.9
99.04518	5.8
101.02444	19.0
113.02462	15.0
113.60826	2.9
116.92834	5.2
119.03538	4.1
134.06114	16.8
135.04478	3.0
137.59563	3.2
143.04584	5.0
147.03110	2.7
149.04526	16.9
152.24272	2.7
161.02480	5.2
161.04568	5.4
163.11313	7.3
178.05017	8.8
187.11241	20.0
192.06877	3.3
205.12268	17.0
207.10213	13.7
220.06207	3.7
263.12894	7.6
281.13937	90.5
282.14081	6.6
305.13803	7.7
313.59064	3.7
340.10251	12.9
459.22134	4.2
503.14386	3.5
503.20117	20.0
503.32904	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05602	0.9
52.71910	0.8
56.38115	1.1
57.03445	10.2
59.01377	67.8
61.98830	5.8
64.97510	0.8
69.70767	0.8
69.95461	0.9
70.02908	0.9
70.03262	2.7
71.01384	8.2
73.02942	28.5
75.00879	1.2
78.95879	0.9
81.03459	4.0
82.95414	1.1
83.01374	1.7
83.05000	2.3
85.02968	4.6
87.00881	2.0
89.02436	3.6
92.45552	1.0
95.01416	1.3
95.05012	3.0
97.98247	1.0
99.00867	1.5
99.04536	5.2
101.02443	7.8
105.39725	0.9
107.05025	1.4
113.02422	5.2
113.06100	2.6
116.92850	0.9
119.03476	0.9
120.08180	5.5
121.08489	1.0
125.02444	2.0
125.06072	3.7
134.06114	5.0
135.04506	0.9
136.09955	0.9
139.07651	0.9
143.03502	1.3
143.04562	1.5
145.10260	1.3
161.04529	2.7
161.09708	2.5
161.13316	1.2
163.11269	2.5
164.07140	9.0
177.03342	2.9
178.05042	3.1
187.11275	9.7
192.06589	1.3
196.87250	1.1
205.12328	6.0
207.10263	11.7
219.13828	2.2
231.10330	1.0
249.11253	4.2
263.12866	8.4
265.35895	0.9
281.13925	100.0
282.14243	5.1
305.13907	1.7
311.14905	3.4
340.10196	4.2
341.19739	1.6
354.14908	0.9
443.19135	5.1
503.28378	0.8
503.32452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88640	1.0
78.95900	50.4
96.96941	4.4
102.75343	0.8
111.23935	1.0
119.11270	1.2
132.47491	1.1
152.65898	1.0
152.67107	1.0
152.99585	65.6
171.00645	18.8
227.03250	2.6
229.19539	1.4
231.21153	36.1
232.21422	1.1
245.04292	100.0
258.32214	1.2
275.20145	43.1
276.20505	1.9
279.23334	2.4
487.31012	1.1
503.24149	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	504.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
60.41366	0.8
71.01357	1.4
71.43533	0.8
72.00903	13.1
77.03958	1.4
87.00845	1.1
89.02458	1.3
90.82404	1.0
91.05531	1.4
93.03461	1.1
95.05014	3.4
101.74019	1.1
105.03470	11.6
109.02924	2.1
115.00375	1.0
119.05035	1.2
120.04596	1.2
121.02964	1.3
123.04472	1.9
133.02953	68.2
134.03294	1.5
135.02983	1.1
135.04512	3.6
147.04520	41.9
148.27327	1.0
150.05606	1.1
151.04024	1.2
161.02444	7.4
162.02751	5.0
162.05600	1.3
164.07156	100.0
165.07468	2.4
175.02728	2.0
176.03519	24.9
177.01927	52.5
179.03508	2.8
191.01799	1.1
192.94250	1.0
215.71335	0.9
226.06265	2.1
227.07143	13.1
253.08685	1.3
255.10233	12.9
280.09781	11.7
298.10736	1.7
301.14642	1.1
306.07526	1.3
314.70093	1.0
324.08624	3.1
339.07162	1.9
341.08838	1.1
342.09094	2.9
414.49197	1.3
485.75613	1.1
504.14713	3.1
504.21613	1.8
505.13608	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	504.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98828	100.0
68.42501	0.3
75.91832	0.3
78.95917	0.6
98.21896	1.0
143.36143	0.3
152.99596	0.4
166.02698	0.3
225.98380	0.3
228.90073	0.4
267.23517	0.3
279.23331	0.8
434.62643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.1
59.01389	0.4
62.96408	0.1
70.34027	0.1
71.01376	0.1
78.95902	22.7
96.96976	0.3
104.97465	0.1
122.98547	0.1
126.95934	0.1
134.98541	0.2
152.99585	2.8
154.70001	0.1
168.04306	3.2
171.00679	0.1
194.05925	0.1
224.06918	9.4
225.07227	0.1
225.62939	0.1
241.39009	0.1
242.07977	2.5
261.22241	0.5
277.21753	1.1
279.23276	100.0
280.23608	3.9
361.95352	0.1
415.22540	0.2
504.30945	32.9
505.25406	0.3
505.31339	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	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
69.86808	0.1
78.95902	6.0
79.24007	0.1
83.05051	0.1
88.18811	0.1
96.96983	0.1
97.67887	0.1
98.60860	0.1
109.61826	0.1
112.46400	0.1
127.17273	0.1
152.99580	0.6
168.04309	1.5
171.00551	0.1
224.06944	1.1
242.07976	2.8
261.22293	0.4
277.21759	0.2
279.23273	100.0
280.23624	3.5
294.19928	0.1
413.88339	0.1
480.99545	0.1
504.30923	9.4
505.31296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
69.25128	5.2
71.01372	3.1
85.39924	0.9
89.02464	2.1
93.03463	4.1
105.01944	9.1
108.02163	7.6
109.02965	16.2
115.00359	4.1
119.05007	1.5
120.11269	1.3
121.02946	1.9
122.03736	4.4
133.02980	3.4
134.03719	1.2
135.04520	13.5
145.02937	2.9
145.06540	1.6
147.04572	1.9
147.08199	1.0
148.05330	1.8
161.06055	1.6
179.03477	10.1
185.06111	1.2
208.05267	1.3
225.05574	1.0
226.06329	13.6
227.07135	67.2
228.07478	2.8
239.07095	1.8
240.07875	1.3
253.08649	6.8
255.10252	100.0
256.10605	3.7
266.05911	1.1
281.08234	3.8
299.09262	4.2
325.07150	1.4
330.71878	1.0
341.10028	1.5
343.08167	6.8
344.12805	1.0
462.71045	1.0
505.13535	48.3
506.13965	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	505.1715
Annotation	Campsiside
Peak:m/z	Relative Intensity
53.44036	1.0
56.53901	1.0
59.01366	1.7
61.98820	4.3
69.46539	4.5
73.87189	1.1
91.64429	1.1
98.22586	2.1
108.02213	1.3
121.02941	2.0
123.04501	1.5
145.02931	4.5
146.03685	3.1
147.04489	4.0
158.03708	13.5
159.04495	3.7
161.06047	1.2
165.05664	6.0
171.04500	2.1
176.04765	2.9
189.05620	1.7
201.90248	1.2
207.06647	1.8
235.07619	1.8
251.07143	2.8
253.08730	2.1
254.09448	3.4
263.07092	4.5
264.07629	1.3
265.08640	2.3
268.07431	2.8
275.07291	1.9
276.07626	1.3
277.08499	2.7
279.06549	2.3
280.07391	16.1
281.08105	5.8
282.06351	1.2
282.08865	6.4
283.09637	5.8
291.06656	3.6
292.07431	2.5
293.08255	6.6
294.08960	14.9
295.09741	30.5
298.08340	1.7
309.07626	11.5
310.08453	35.0
313.10812	21.5
314.11145	1.7
325.10806	100.0
326.11029	4.8
343.11850	14.7
344.67499	1.2
473.20209	1.3
475.16138	9.2
487.16074	10.8
505.17084	17.9
505.23505	2.2
527.57526	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	505.1714
Annotation	Campsiside
Peak:m/z	Relative Intensity
53.07478	0.3
55.12700	0.3
59.01382	4.6
64.77354	0.4
66.97969	0.3
69.03445	0.7
69.17822	2.3
71.01383	2.1
85.02934	0.8
89.02454	1.9
98.22241	1.7
101.02435	0.9
108.02183	1.6
109.02934	1.7
112.02651	0.3
113.02463	0.6
115.76473	0.3
119.03455	0.9
121.02953	1.4
122.03704	1.0
123.04502	1.8
125.03093	0.4
135.04526	3.7
136.01659	40.6
137.02443	18.6
138.02791	0.4
147.04488	0.6
150.03204	0.6
151.04004	50.1
152.04390	0.6
159.04520	2.2
160.05309	2.2
161.06068	1.3
162.03180	0.6
163.04037	1.7
167.02095	0.4
172.05190	0.3
173.06056	1.2
173.09444	0.3
175.03992	0.7
175.07675	2.2
176.04810	0.8
177.05580	1.5
179.03459	0.5
187.04015	1.0
188.04778	0.8
189.05586	1.5
191.07173	2.0
200.27086	0.4
201.05605	0.7
203.07085	0.6
250.74702	0.4
258.90680	0.4
262.53171	0.4
267.06589	0.7
268.07474	0.8
279.06619	0.6
281.08069	0.5
282.08954	1.0
283.09790	2.1
292.07068	0.6
294.76489	0.4
295.09641	0.6
297.11227	0.6
309.07657	0.6
313.10693	0.8
325.10785	7.2
325.14417	0.6
328.09308	0.6
343.11838	100.0
344.12149	3.9
477.34811	0.4
505.17239	5.5
506.17184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65084	2.3
57.03452	13.5
59.01378	100.0
61.98832	30.2
63.37291	2.5
70.02975	3.0
71.01380	73.5
72.99354	3.4
73.02950	29.1
73.04044	3.0
74.02454	4.3
75.00876	7.0
83.01385	9.4
85.02944	28.5
87.00867	5.4
89.02451	34.1
95.01376	6.9
96.00935	3.6
96.96008	4.2
97.02940	3.4
98.02491	3.8
99.00903	6.5
99.04517	11.0
99.92567	5.7
101.02437	66.8
105.01926	10.5
110.02464	3.3
111.00790	2.5
113.02437	28.8
113.03560	6.2
115.00372	7.6
115.08797	3.0
116.92848	30.4
117.01961	3.5
117.92825	5.7
118.92645	6.1
119.03501	17.3
120.01215	3.5
120.99657	14.9
125.02421	7.0
127.05093	4.6
128.03575	16.1
129.10367	3.6
130.08723	13.0
131.03539	4.0
131.04819	2.6
141.06726	6.2
143.03534	6.5
159.02979	6.4
160.07585	3.2
161.02473	5.5
161.04561	34.6
175.04118	2.8
179.05594	19.2
181.08632	3.1
215.04947	4.8
218.56517	2.6
221.06580	4.9
227.07104	7.8
229.56552	2.5
255.10271	6.0
281.08118	6.1
281.57272	2.9
283.11880	22.7
323.05731	3.0
323.09351	2.7
325.10715	3.4
329.12885	4.2
357.12360	4.2
385.20743	7.6
445.17117	95.1
445.22815	4.2
470.17096	4.7
505.15616	7.6
505.23923	13.7
506.22461	11.2
512.43085	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	505.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79312	1.3
53.03598	1.3
59.01378	7.8
61.98810	1.5
65.56316	1.3
69.19334	6.3
69.67242	1.3
71.01373	5.7
73.02966	2.5
89.02474	1.5
101.02465	2.3
105.53208	1.3
109.06566	4.3
111.04495	1.8
113.02473	3.3
115.77734	1.4
115.84566	1.5
117.38139	1.2
127.07674	2.5
136.74188	1.5
197.02385	1.8
245.19276	1.5
289.18094	100.0
290.18304	4.4
307.19168	26.9
367.77271	1.4
402.18195	1.7
505.22607	7.3
505.33096	6.1
528.24402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	72.4
59.01379	100.0
59.21551	1.0
61.98828	9.4
69.17146	6.3
71.01382	15.2
73.02956	6.9
75.00865	1.3
81.03461	2.0
82.95438	1.1
83.01375	3.2
85.02949	6.9
87.00868	1.8
88.98832	1.3
89.02435	6.4
95.01409	1.1
98.22606	2.2
99.00870	2.6
99.04517	83.9
101.02440	23.7
113.02454	7.6
115.00317	1.0
116.92868	4.0
119.03529	1.6
125.02447	32.1
130.08707	2.9
131.03568	1.1
143.03455	3.1
143.04509	1.1
145.02957	1.4
149.04605	1.2
161.04564	3.5
179.05630	1.0
199.13361	2.5
261.71689	0.9
343.17383	2.0
343.21298	2.3
361.14325	1.7
361.18683	27.8
389.25580	2.6
393.87119	1.0
403.19568	6.1
442.27377	4.2
469.06332	1.6
505.14120	1.5
505.22714	3.2
505.27994	2.9
506.25974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02993	0.5
54.79468	0.5
59.01368	1.3
62.96376	0.6
68.15799	0.5
69.90085	0.5
69.90428	1.7
74.20975	0.5
78.95900	39.7
96.96973	0.9
98.21958	0.7
99.60275	0.6
122.98519	0.5
143.70695	0.5
152.99580	13.7
168.04314	4.2
171.00694	1.1
224.06892	8.5
225.07230	3.7
227.03224	1.4
242.08064	2.5
243.08258	0.8
245.04285	1.1
277.21722	63.3
278.22110	3.0
279.23294	45.9
280.23624	100.0
281.23932	2.3
339.48499	0.6
408.04929	0.6
504.31119	1.9
505.25430	17.5
505.31387	42.6
506.25708	1.1
506.31982	1.1
520.79010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.78039	0.5
59.01384	1.1
62.74868	0.5
70.50500	0.8
78.95904	13.0
90.82001	0.5
96.96990	0.5
104.36859	0.4
110.29591	0.5
112.11854	0.5
152.99588	19.6
171.00621	1.6
227.03233	3.2
234.58133	0.5
245.04335	2.1
277.21725	100.0
278.22086	4.2
279.23248	0.7
280.23642	2.1
355.26041	0.5
399.61053	0.5
505.25729	40.6
506.26077	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	506.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38417	0.1
61.98830	100.0
70.95099	0.3
74.10241	0.2
74.20976	0.3
80.06204	0.2
81.62965	0.2
88.41084	0.2
93.35270	0.2
164.83548	0.2
222.58234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.08074	1.9
69.08476	4.0
87.47134	0.7
93.67139	0.9
525.86279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.68824	0.2
67.17475	0.2
70.01413	0.8
80.85303	0.2
98.22086	0.7
149.06082	1.0
151.04073	0.5
152.04324	0.4
165.47598	0.2
247.15269	0.3
343.11838	0.4
344.12067	1.4
461.36160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92615	0.2
61.98828	100.0
70.98057	0.3
72.27992	0.2
79.73614	0.2
96.11076	0.2
103.64148	0.2
106.95659	0.2
157.89230	0.3
211.24074	0.3
316.65332	0.2
498.32645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94124	1.0
59.01379	38.5
65.87805	0.9
67.92255	1.0
69.72041	3.4
71.01011	1.9
71.01377	26.5
72.00903	16.3
85.02937	3.1
87.00877	1.7
89.02439	37.7
91.05558	1.9
99.80201	1.0
101.02456	12.7
113.02441	10.9
119.03497	12.6
131.03516	2.6
134.34116	1.0
143.03461	3.6
147.04518	45.7
161.04581	4.7
164.07156	98.9
165.07518	1.5
179.05597	22.3
181.52113	1.0
197.14574	0.9
225.36513	1.1
303.19925	1.1
305.35779	1.2
341.10867	100.0
342.11081	3.1
472.88464	1.0
481.41083	1.3
531.00220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97475	1.0
59.01376	6.9
59.29924	1.0
61.17624	1.0
61.98830	100.0
69.22958	5.9
69.55952	0.9
71.01384	3.6
72.99274	1.1
74.02489	1.5
85.02980	1.3
89.02437	2.2
96.00888	1.3
96.96021	3.0
98.22624	2.5
99.00889	1.4
99.04505	1.3
101.02443	2.5
110.95353	1.0
113.02496	2.6
122.03748	1.0
128.03557	1.5
130.08716	1.2
143.04643	2.5
161.04691	1.1
166.98859	1.1
207.10336	1.3
225.11293	1.0
243.12248	1.5
257.83060	1.1
261.55893	1.5
274.25046	1.1
306.07672	1.9
344.15790	2.6
470.29843	2.5
506.26691	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	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01368	1.5
61.16725	0.2
61.98828	100.0
69.12979	0.5
69.13390	1.1
70.50096	0.2
71.01368	1.1
73.02934	0.4
80.96485	0.2
84.56892	0.2
84.82851	0.2
85.02957	0.5
85.75272	0.3
87.43330	0.2
89.02449	0.6
101.02431	0.5
113.02460	0.5
117.05864	0.2
117.06790	0.2
130.08731	0.4
163.11273	0.2
250.94884	0.3
279.18292	0.3
344.21640	0.6
363.20370	0.4
374.22568	0.3
506.27060	1.0
507.26361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01374	0.7
59.81173	0.2
59.87855	0.1
61.98830	100.0
68.20798	0.2
70.70586	0.2
71.01370	0.4
71.76836	0.2
79.17540	0.2
84.66856	0.2
91.50157	0.2
99.04516	0.3
271.15573	0.2
330.90897	0.2
378.32697	0.2
437.49203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
61.98832	1.6
62.60838	1.2
67.70079	1.4
69.15051	5.0
69.15456	3.2
99.00874	5.0
109.02965	3.5
111.00907	8.3
115.65487	1.4
120.01228	3.5
121.02957	1.5
123.00887	3.1
125.02449	10.4
130.68886	1.3
137.02481	3.4
139.00388	26.0
141.01910	3.3
149.02428	2.8
151.00360	2.2
159.04517	1.6
161.02466	2.9
163.00462	3.1
164.01115	1.7
165.01921	3.8
175.04045	3.1
177.01933	1.7
187.04085	2.1
189.05589	1.6
191.03397	1.7
201.05690	1.6
204.58163	1.3
215.03590	2.6
217.05157	1.8
231.03024	2.2
248.35516	1.3
255.02946	2.3
257.04504	3.1
259.02487	2.0
283.02536	2.6
285.04095	10.8
299.05508	1.6
301.03528	5.0
311.48734	1.3
323.05524	3.8
425.05328	4.3
427.06677	100.0
428.06851	3.9
507.02365	63.9
508.02701	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11091	0.2
59.01377	4.6
60.12632	0.2
61.30155	0.2
61.98821	0.6
71.01362	0.7
72.99305	3.6
73.02946	0.3
75.00868	5.2
78.25096	0.2
81.03452	1.6
87.00872	0.9
89.02438	0.5
95.05035	0.5
96.00898	0.3
96.96017	0.3
97.02953	0.3
99.04506	1.5
101.02468	0.4
103.00356	0.4
103.01493	0.3
104.03481	0.2
105.01935	100.0
106.02292	0.7
109.02966	0.3
119.03475	0.3
119.05022	0.4
121.02979	0.2
123.04518	0.7
125.02444	0.8
127.05199	0.5
128.03554	1.4
133.02943	0.9
143.04654	0.3
161.04585	0.3
167.03497	9.4
168.03845	0.2
176.99294	0.2
177.01971	0.5
209.04471	0.3
227.06993	0.6
228.07481	0.6
229.07745	0.5
255.10196	0.4
256.10794	0.3
257.10849	0.4
267.10394	0.3
271.10892	0.3
271.38800	0.2
291.09976	0.5
306.07758	0.4
311.07584	0.3
354.10629	0.2
387.06998	0.3
429.18066	0.3
507.11865	1.0
507.24738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.39396	0.5
57.03448	1.2
58.00589	0.7
59.01377	46.7
61.98844	0.9
64.66976	0.5
71.01383	25.7
72.01727	0.7
72.99318	1.2
73.02957	1.2
76.45380	0.5
78.95924	0.6
83.01410	1.3
85.02941	5.4
86.16297	0.5
87.00899	1.2
89.02444	30.7
90.06699	0.5
92.98199	0.6
95.01428	1.6
99.04555	0.5
101.02441	15.6
113.02444	12.0
116.14484	0.5
119.03505	13.5
119.04318	1.0
120.05827	1.0
121.06633	1.2
131.03516	2.0
142.30589	0.5
143.03514	3.7
145.06638	2.3
149.04538	0.9
160.48671	0.5
160.51584	0.5
161.04558	3.4
179.05609	15.1
185.13326	0.7
213.12851	22.4
237.16547	0.6
253.15929	3.7
254.39409	0.5
255.13698	0.7
255.17569	3.5
257.19089	11.3
269.19135	0.8
273.18530	0.7
281.15359	2.5
283.17010	16.9
284.17365	0.8
297.18445	1.1
301.18103	8.8
309.20856	1.0
327.15994	52.4
328.16345	1.8
341.17578	1.6
345.17047	91.9
346.17471	3.8
369.46979	0.6
387.18137	14.6
388.18521	0.7
424.99301	0.6
507.22324	100.0
508.22623	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	507.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47861	2.2
60.99692	2.2
69.22179	12.6
75.50169	2.3
100.49897	2.2
111.08158	5.8
153.45747	2.7
159.65233	2.6
165.12921	2.2
197.02199	2.4
197.11832	21.8
211.13458	3.5
291.19659	23.3
309.20712	100.0
387.02841	2.5
507.23303	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	507.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81581	1.4
57.03426	2.0
58.02974	4.2
59.01375	15.2
60.53090	1.0
61.98829	16.0
71.01384	7.5
73.02975	2.0
73.04060	2.5
82.95425	1.4
83.05041	1.3
85.02982	2.0
87.05634	4.2
89.02451	6.1
95.58064	1.1
98.02462	1.9
99.00883	1.4
101.02438	4.3
105.01913	1.9
113.02434	2.7
115.05091	2.5
119.03584	1.4
120.60833	1.3
121.90109	1.2
126.06751	6.2
129.10324	6.4
131.03496	2.0
140.07185	6.0
144.07751	4.7
149.04544	3.2
151.08745	3.1
153.05426	1.6
153.10280	1.7
155.11867	4.1
166.08780	1.8
168.07780	13.2
168.10211	1.8
168.11427	12.3
183.11438	6.6
186.08815	13.4
186.12483	6.6
210.12466	29.6
211.10963	2.4
225.16046	1.6
228.13531	23.7
252.20782	4.1
328.22531	1.9
345.17279	1.6
352.26981	1.4
385.24725	1.2
395.22934	4.2
427.25583	100.0
428.25836	5.5
447.22189	5.5
465.66638	1.2
471.28036	3.2
507.23026	3.3
507.31586	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
70.98416	0.5
78.95901	12.0
79.45560	0.3
94.20502	0.3
96.96973	1.1
110.60210	0.3
152.99588	20.9
171.00648	1.3
227.03296	2.2
245.04279	1.6
261.22238	0.5
279.23276	100.0
280.23669	3.5
282.24966	0.5
415.22641	0.5
433.23535	0.8
507.27267	39.7
508.27420	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31173	0.4
54.54422	0.4
59.01379	0.9
60.96159	0.5
69.18478	1.7
78.95903	23.9
96.96987	1.6
98.93433	0.4
109.40839	0.5
152.99583	35.5
161.63802	0.4
168.32556	0.4
171.00642	2.1
196.89384	0.4
227.03210	4.5
243.17168	0.5
245.04337	1.2
246.12181	0.4
261.22171	0.6
279.23285	100.0
280.23596	4.3
281.24863	2.5
282.25177	5.0
412.13327	0.5
415.22726	0.9
433.23279	1.0
450.42377	0.4
507.27209	64.5
508.27646	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86592	0.4
55.36133	0.4
55.84481	0.4
63.15499	0.4
66.98423	0.4
70.76302	0.6
71.33196	0.4
78.12042	0.4
78.95898	8.7
88.72031	0.4
96.96960	0.6
141.94069	0.4
152.99586	16.6
171.00659	1.5
204.41487	0.4
227.03224	2.8
244.54774	0.4
245.04230	1.8
261.22253	0.4
279.23282	100.0
280.23630	4.3
331.66449	0.4
476.72034	0.4
507.27261	35.6
508.27750	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78226	0.8
55.01875	2.8
57.03449	4.3
59.01381	24.9
61.98834	4.0
62.50980	0.7
66.80032	0.7
69.03443	1.2
71.01383	27.7
72.99323	1.3
73.02945	14.4
75.00883	1.3
83.01389	8.1
85.02954	20.1
87.00874	2.0
89.02451	2.1
95.01408	3.0
97.02978	0.8
99.00870	6.4
99.04521	1.8
101.02444	25.4
103.01476	3.8
105.01957	0.7
107.50623	0.6
111.00870	4.1
113.02445	10.0
125.02453	1.0
129.01955	1.2
147.78979	0.6
159.03017	3.0
161.04570	7.3
194.24614	0.7
221.44609	0.6
245.05527	0.7
299.25897	1.9
309.20703	3.7
322.28879	0.7
345.30011	7.9
349.66202	0.7
507.35437	100.0
508.35770	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	508.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.7
59.01377	100.0
61.98834	55.3
69.77916	9.0
71.01383	86.9
72.99311	4.5
73.02950	20.9
74.02472	13.3
80.38567	3.4
83.01374	5.9
85.02943	27.6
87.00932	5.4
88.17627	4.0
89.02446	84.6
89.03004	4.9
93.64844	3.5
95.01420	4.7
97.02936	8.0
98.22603	4.8
101.02438	65.7
113.02441	42.4
119.03501	25.9
123.04534	4.4
131.03523	10.4
141.06657	3.8
143.03499	11.3
158.42761	4.7
161.04515	35.4
179.05598	86.4
202.97301	4.1
212.13809	8.8
221.06647	26.2
266.43787	3.9
306.70911	4.1
347.19025	5.4
465.23434	87.1
466.23404	5.5
508.23151	38.1
509.23407	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	508.2911
Annotation	Veracevine
Peak:m/z	Relative Intensity
50.98720	0.4
59.01343	0.4
64.99069	0.4
71.01368	1.5
71.41851	0.4
73.02937	0.7
85.02947	0.7
101.02458	0.5
103.21454	0.3
108.02172	18.6
110.03761	0.8
113.02476	0.5
116.39473	0.4
121.02958	7.0
122.03740	1.0
134.03737	0.8
135.04524	0.5
161.04588	0.8
174.29803	0.4
224.39775	0.4
260.16342	2.2
279.52719	0.5
287.20206	2.2
290.21313	0.7
302.21347	2.9
326.21207	4.4
328.22794	12.1
345.23083	8.2
346.23846	100.0
347.24161	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	509.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.7
61.98824	1.9
68.82204	1.7
69.52986	6.2
96.68780	1.4
96.76874	2.0
98.22581	2.7
127.07690	2.1
146.77986	1.5
155.16644	1.7
174.90410	1.4
183.13931	9.5
184.63138	1.6
213.15010	3.5
223.13255	1.8
241.14478	3.2
293.21228	3.6
309.20676	5.5
311.22266	100.0
312.22647	6.3
329.03326	1.7
366.56372	1.6
509.25333	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	509.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46857	1.5
61.98844	2.5
69.71115	6.1
82.50028	1.7
94.95615	1.6
139.11267	3.3
145.60793	1.6
171.10274	6.5
197.02243	3.2
209.42796	1.8
293.21182	3.9
309.20721	9.0
311.22290	100.0
312.22516	4.3
334.57947	1.7
371.30148	1.9
372.25919	1.7
509.24881	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	509.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.7
59.10889	0.8
71.00666	1.5
167.14464	1.3
195.13910	4.3
213.15036	0.8
263.23715	0.7
293.21295	3.9
311.22281	100.0
312.22888	3.5
344.12225	0.8
385.47403	0.8
509.24786	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	509.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90916	3.4
68.36537	3.1
70.88672	4.4
78.95902	25.0
93.23160	4.0
100.27846	3.3
116.92918	4.5
124.07107	3.2
152.99573	46.4
171.00290	3.4
196.89375	4.1
216.06206	3.2
223.65927	3.3
281.24847	100.0
497.81644	4.0
509.28842	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93373	1.2
61.98821	2.3
70.88503	1.4
78.95900	28.6
78.96329	1.1
90.81313	1.1
96.95958	1.7
96.96952	1.5
99.27401	1.5
101.05540	1.3
135.46954	1.3
147.29599	1.4
152.99583	32.4
171.00652	1.7
178.88376	3.5
180.89995	3.6
196.89459	37.2
227.03223	4.1
244.99324	1.3
281.24850	100.0
282.25128	3.6
435.25082	2.3
441.93246	1.4
509.16107	5.4
509.28784	52.9
510.29343	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92886	0.5
55.11907	0.4
58.71777	0.4
66.89149	0.3
71.43391	0.5
78.95902	19.1
96.96958	1.1
126.32515	0.4
140.25572	0.4
150.98091	0.6
152.99590	31.0
159.46368	0.4
164.55096	0.4
171.00626	1.2
196.89505	0.7
217.17796	0.4
227.03244	3.6
245.04300	0.7
281.24857	100.0
282.25272	3.1
414.60672	0.5
417.24026	1.2
417.98053	0.4
467.02164	0.5
469.23315	0.5
470.67032	0.5
509.28851	64.8
510.29144	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	87.4
69.49130	10.8
91.12257	2.3
95.80160	2.6
98.22260	11.7
151.00394	2.8
191.83519	2.8
227.03510	33.9
255.02963	46.6
256.03595	6.2
284.03259	52.6
285.04025	17.9
348.25311	4.0
415.73553	3.3
447.09268	100.0
448.09689	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01374	4.9
61.98825	11.3
68.34176	0.8
69.39465	4.5
69.59916	0.8
70.19036	0.8
71.01378	2.8
73.02933	1.4
87.21974	1.0
96.43480	0.9
98.22672	1.2
99.04520	1.5
101.02427	2.3
109.02910	1.6
109.23968	0.9
121.02942	2.0
133.02934	9.3
135.04521	1.0
137.02411	1.0
147.04536	1.3
149.02457	1.9
151.00345	0.9
151.04085	1.6
163.00365	1.9
163.03940	2.4
175.03983	3.8
179.03479	2.3
180.03810	1.5
185.86304	0.8
191.03343	1.3
193.01373	1.4
199.04024	2.2
225.05580	0.9
229.05330	1.0
255.06642	1.3
257.04633	1.1
269.04431	1.3
284.03189	9.1
285.04068	8.0
297.04031	17.6
298.04745	8.3
299.05573	17.9
311.05548	3.0
323.37210	1.0
325.03506	1.1
327.05087	100.0
328.05322	4.0
339.04922	3.4
357.06131	30.1
358.06396	2.7
365.18155	2.3
369.06128	3.5
393.05844	1.9
447.09308	80.8
448.09457	4.5
510.33020	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89788	0.4
59.01375	1.0
61.62007	0.4
61.98830	8.7
67.27473	0.5
69.39352	1.4
74.84169	0.4
89.39706	0.5
90.07977	0.5
98.22629	1.1
107.01372	1.3
108.02165	3.3
109.02461	0.9
121.02953	1.9
133.02986	2.2
134.03769	0.6
149.02396	0.7
151.00359	2.4
175.03952	1.0
199.04057	0.9
211.03978	0.5
217.05115	0.5
227.03467	0.5
255.03049	0.6
256.03790	2.5
284.03256	43.7
285.04028	91.3
286.04324	3.4
297.03839	0.6
327.05103	1.8
327.21582	0.9
328.22720	0.8
329.23004	2.0
330.23233	0.5
345.23242	0.5
346.23788	8.6
347.24185	18.8
348.24438	5.0
447.09305	100.0
448.09616	6.3
498.43185	0.5
510.18622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60266	0.4
57.03445	0.9
59.01375	3.8
61.98830	62.4
65.00337	0.6
69.24004	1.5
71.01386	1.6
73.02955	0.5
74.02475	0.5
74.99096	0.8
78.91898	1.7
83.01395	0.8
85.02957	0.5
89.02470	1.2
98.03077	0.4
99.00880	0.5
99.04510	0.8
101.02438	1.9
103.82848	0.4
105.03381	0.3
107.01402	1.0
108.02178	3.9
113.02456	0.8
114.05618	0.6
121.02953	3.1
122.03752	0.5
128.03552	0.5
130.08757	0.6
133.02940	4.4
136.99136	0.7
143.04633	0.4
149.02431	0.9
151.00360	2.2
161.04591	0.5
164.07381	0.4
175.03999	1.6
197.06201	0.4
199.04045	1.5
200.13976	0.4
201.01993	0.5
213.73016	0.5
217.05095	1.2
237.05984	1.0
241.05093	0.5
267.12372	0.8
272.08887	1.3
284.03339	1.9
285.04041	100.0
286.04330	2.9
297.04077	0.5
327.05038	0.9
346.23550	1.1
347.24564	5.2
348.25424	22.4
365.06393	0.5
429.08191	1.1
431.09305	0.4
447.09314	15.9
448.09702	0.7
509.29303	0.7
510.28873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90786	0.3
52.91048	0.3
55.01866	0.3
57.03437	0.5
59.01381	3.7
60.55350	0.3
61.98830	6.6
63.86902	0.3
65.00287	0.4
71.01381	2.1
73.02948	0.6
74.02482	0.4
83.01389	0.5
85.02937	0.5
89.02441	0.9
98.53696	0.3
99.00893	0.7
99.04520	0.8
101.02435	1.2
105.01944	0.4
107.01392	1.1
108.02164	0.6
113.02458	0.6
121.02952	0.6
130.08722	0.4
133.02956	4.4
149.02428	1.0
151.00375	4.1
156.10336	0.4
158.11871	0.7
159.76422	0.4
160.30388	0.3
168.79927	0.3
175.03989	2.3
185.06122	0.4
188.34904	0.3
199.03960	1.7
201.01939	0.8
205.05185	0.3
213.05588	0.4
217.05055	1.1
241.05090	1.1
241.09799	0.5
243.02977	0.8
256.03790	1.7
257.04401	0.6
284.03195	3.6
285.04034	100.0
286.04437	4.3
312.18021	1.1
327.05106	1.2
343.04666	0.7
347.24435	1.0
348.25412	3.6
447.09305	54.9
448.09735	2.9
479.47583	0.4
503.04517	0.4
509.29849	3.5
510.30411	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	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21091	0.2
59.01361	0.2
61.98828	100.0
63.56800	0.2
69.22359	0.5
69.22743	0.4
75.30602	0.2
98.02370	0.2
104.88682	0.2
122.69721	0.2
152.64954	0.2
178.53658	0.2
191.55605	0.2
241.42545	0.2
285.04163	0.5
312.74646	0.2
400.00626	0.2
434.17551	0.3
447.09167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68954	1.5
51.88926	1.4
61.98857	2.3
69.48232	1.8
69.48561	5.9
78.95905	18.3
80.60947	1.3
103.00335	1.8
140.01201	5.0
152.99577	4.6
196.03773	10.6
203.42131	1.4
214.04858	2.5
240.79655	1.7
255.23288	100.0
256.23709	2.9
265.51056	1.5
272.62305	1.5
279.23312	2.8
280.23596	5.3
281.23688	2.4
281.53995	1.6
282.24213	3.2
452.27817	50.7
453.27805	2.2
510.23193	21.0
511.23703	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	511.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01679	4.1
57.29062	3.9
57.46689	4.7
59.01377	20.1
61.98817	12.4
62.30454	4.2
70.48186	5.6
71.01378	13.5
85.02973	4.3
89.02452	17.4
101.02433	9.9
102.29762	3.7
113.02443	7.1
121.03038	4.2
154.66060	4.5
161.04507	4.4
192.05118	4.2
211.43350	3.7
217.22401	4.1
292.92499	4.4
318.79462	4.4
322.18588	4.6
348.86429	4.5
396.59500	4.9
458.04312	4.4
475.21899	100.0
476.21964	8.1
493.88620	4.7
511.19299	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.9
59.01377	100.0
61.98822	8.5
69.03436	1.7
69.22192	4.0
69.22591	5.8
69.76362	1.6
71.01379	67.8
72.99329	2.7
73.02946	18.6
85.02957	9.7
87.00848	2.3
89.02442	99.5
95.33907	1.6
97.02918	2.0
99.00874	26.0
101.02435	42.8
113.02451	14.3
113.07199	2.0
114.05619	7.2
115.05943	2.0
119.03499	8.6
125.02432	4.6
127.05127	2.2
131.03537	18.3
149.04546	68.3
161.04532	4.4
179.05598	5.4
191.05605	14.9
201.10831	1.9
221.06662	3.6
239.58395	1.6
242.64941	1.9
251.07765	6.5
293.08847	2.9
311.09714	3.1
319.17618	3.2
328.05322	6.3
358.06497	2.1
406.24292	3.2
448.09372	5.7
451.21765	76.0
452.22153	5.3
511.23529	6.0
511.30228	10.4
534.02045	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	511.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46222	13.5
55.00631	11.3
59.01375	52.2
66.93775	11.9
70.11874	33.9
71.01372	71.0
73.02952	24.7
85.02972	24.0
101.02454	63.7
113.02457	23.4
161.04556	25.1
205.82706	11.7
289.16550	26.9
436.50665	13.8
437.51215	14.0
451.21817	100.0
451.32596	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	511.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
61.98816	2.2
69.57185	4.6
69.57573	2.9
80.35484	1.3
82.79729	1.3
93.84576	1.4
98.21920	2.5
99.08150	4.7
117.23907	1.3
123.92020	1.4
129.09219	6.2
183.13905	16.2
195.13951	2.1
204.63187	1.4
275.20044	2.1
295.22775	6.3
309.20715	1.8
310.20990	3.2
311.21350	6.3
313.23825	100.0
314.24155	2.4
407.14828	1.4
416.72711	1.6
511.27020	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	512.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	41.1
69.97631	9.9
69.97970	18.6
104.82932	7.5
106.73885	7.6
125.02419	46.8
125.37930	8.1
141.29268	7.3
151.00368	14.1
163.48161	7.6
178.99878	9.3
201.04852	7.3
213.91847	9.9
259.06128	52.6
269.04535	50.8
287.05560	27.6
289.32507	9.0
449.10892	100.0
454.15643	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	512.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87045	0.6
57.03453	1.3
59.01372	3.2
61.98830	100.0
69.16636	3.5
71.01380	1.1
73.02973	1.0
85.02982	0.6
89.02444	0.9
93.91888	0.6
96.96058	0.6
97.56038	0.6
99.04533	1.8
101.02460	1.0
112.52159	0.6
113.02454	0.8
125.02441	0.7
132.10364	0.6
449.27658	4.2
512.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63829	0.4
58.75491	0.4
59.01376	1.5
61.98825	1.1
66.03481	1.3
71.01376	1.0
73.04069	0.7
73.41115	0.4
74.02453	0.5
82.02989	1.1
84.04549	1.1
84.66643	0.4
88.04071	0.6
88.13690	0.4
89.02454	0.6
96.04552	0.7
98.02494	1.7
98.06139	1.4
99.05590	0.5
100.04073	0.8
101.07208	5.4
102.05606	0.8
109.04067	2.7
112.04029	0.6
114.05586	2.2
115.08806	0.6
116.07182	9.9
125.03610	0.6
125.07211	0.6
126.05617	1.4
127.05141	11.1
136.01698	0.6
138.05627	3.8
139.08746	0.7
141.10344	3.0
142.08716	0.5
145.02957	1.7
145.05145	0.8
145.06206	7.6
146.03259	0.7
151.04010	0.8
151.08839	0.7
152.07181	0.8
152.10831	0.7
153.03062	0.5
153.06718	0.8
155.08290	1.0
167.11908	1.8
169.09781	1.3
169.13475	14.4
172.17601	0.5
175.03889	0.6
180.07777	1.4
181.06244	1.2
186.07619	0.6
195.11441	2.3
198.08870	1.1
199.07159	0.6
199.89307	0.5
213.12450	37.6
214.12859	1.2
236.13947	1.1
254.15111	0.5
268.20251	0.9
312.19525	0.6
350.16623	0.7
383.22934	4.0
395.34335	0.4
494.26321	6.3
512.27277	100.0
513.27661	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	513.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.1
61.28205	3.7
61.98829	34.2
63.77753	4.3
71.01374	17.1
72.33260	3.8
72.99293	4.9
73.02937	6.0
74.02480	30.1
74.56449	3.9
75.00861	5.0
82.23270	4.1
85.02948	6.8
88.04028	14.7
89.02439	11.3
90.15468	4.0
96.00935	5.4
96.95995	7.1
100.00422	6.7
101.02452	11.4
104.03543	3.7
111.61730	3.4
113.02443	5.1
115.00430	4.1
119.05006	5.3
125.02415	4.4
126.90393	17.1
127.05142	7.6
128.03528	11.0
130.08781	5.2
145.09743	5.6
153.91858	3.8
163.99292	7.0
172.96809	4.0
175.03914	6.2
177.00136	6.1
177.99673	4.9
183.11330	3.8
199.02811	9.7
204.01227	20.4
204.99564	5.4
206.02843	29.3
217.99077	21.4
222.93477	4.2
224.05055	4.1
230.99893	9.2
232.00731	100.0
234.02255	10.8
245.03850	5.0
246.02313	12.5
275.99673	28.6
281.11377	9.0
289.02908	48.0
291.01904	7.2
307.03653	5.6
333.01987	10.6
351.02841	17.7
393.05054	4.4
412.07156	7.1
438.04962	20.0
496.27814	7.1
513.08295	43.0
513.30103	13.6
514.29181	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	513.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.1
69.38246	2.4
71.01379	19.9
72.99306	45.7
75.71371	0.8
78.95905	7.1
85.02957	1.6
87.00871	0.8
89.01923	1.5
89.02439	17.0
95.52064	0.9
96.96958	9.3
101.02445	4.6
105.01939	1.4
113.02449	4.8
115.00370	25.8
119.03483	5.1
128.95958	2.0
133.01428	100.0
143.03459	0.9
149.04610	1.0
152.94965	0.7
152.95950	46.6
170.90239	7.2
170.97008	92.0
171.97356	1.4
173.74258	0.8
179.05551	6.9
230.98262	1.6
251.37764	0.7
296.31320	0.8
341.10873	39.1
342.11298	1.3
355.05045	0.8
465.25381	0.8
513.08606	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	513.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70249	4.9
56.43108	4.9
57.03456	34.9
59.01118	6.6
59.01385	72.7
61.98829	97.3
62.00526	4.6
63.05184	4.8
63.40331	5.0
69.24286	28.6
71.01391	26.9
73.02943	18.8
76.45756	4.8
83.01391	5.5
85.02959	13.4
89.02450	15.5
98.21929	9.1
99.04516	27.3
101.02460	46.7
113.02428	11.5
119.03509	8.9
120.54151	5.8
143.03468	5.5
145.87299	5.0
161.04570	17.5
161.62389	5.4
179.05571	6.5
259.24188	5.1
315.18381	11.6
450.27820	6.7
456.00381	5.1
475.17621	5.3
477.23520	100.0
513.20685	44.7
513.31293	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	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	98.3
59.01377	83.0
61.98819	3.4
63.81244	1.4
69.15126	8.9
71.01378	25.3
73.02948	34.2
75.00882	1.9
77.20100	1.4
79.05538	2.3
81.03451	1.7
83.01385	10.6
85.02933	5.7
87.00864	1.8
89.02438	13.3
92.16677	1.4
98.21877	3.5
99.04521	100.0
101.02443	50.6
101.16407	1.6
105.29382	1.5
109.06580	2.5
113.02438	20.5
113.06097	4.3
119.03500	7.1
120.54272	1.5
123.04525	22.7
125.02444	38.0
131.03482	3.3
137.06111	1.8
141.05603	4.5
143.03531	7.9
149.04524	7.1
153.05550	4.5
161.04539	14.6
179.05559	4.2
209.11975	1.7
211.13428	7.7
221.06679	2.5
232.97510	1.5
262.96631	1.5
315.25391	2.0
353.06348	3.1
379.04398	3.0
385.94461	1.7
442.49890	1.6
453.80545	1.5
477.29697	2.5
513.23199	14.8
514.28326	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12614	1.0
55.01876	1.3
57.01442	1.0
57.03448	100.0
59.01380	89.6
61.98821	4.4
69.03448	1.0
71.01380	32.9
72.99274	1.0
73.02946	38.6
75.96424	1.1
79.05548	1.4
81.03448	3.3
83.01387	10.3
85.02937	5.4
87.00890	2.0
89.02443	21.2
95.01379	2.5
97.06564	2.1
99.04518	81.0
101.02442	47.1
109.06613	1.4
113.02445	18.1
113.06078	3.1
119.03491	7.8
123.04518	14.8
125.02448	34.5
128.68053	1.1
131.03529	3.3
131.12996	0.9
141.05579	3.2
143.03525	6.2
149.04552	4.4
153.05542	4.1
161.04558	24.3
179.05595	10.2
198.11507	0.9
203.05574	1.7
233.06636	1.5
263.07788	8.9
323.09778	7.8
449.38199	1.1
513.23407	3.7
537.51501	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	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	89.4
59.01379	100.0
61.98830	6.2
69.03464	1.3
69.18928	2.3
69.19338	2.0
71.01382	28.7
72.99306	1.3
73.02943	20.0
79.05546	1.3
81.03463	2.6
83.01385	7.6
85.02946	6.3
87.00909	1.3
89.02440	16.4
95.01389	1.6
95.28432	0.7
96.95988	0.7
97.02971	1.3
97.06606	1.3
99.00919	1.0
99.04518	91.7
100.04858	1.4
101.02444	37.9
109.06599	1.2
113.02441	15.6
113.06118	2.2
114.99414	0.7
119.03497	7.9
123.04517	8.8
125.02448	34.4
131.03519	2.0
132.11366	1.0
137.09735	1.5
141.05655	1.7
143.03520	6.0
149.04605	2.5
151.07622	1.0
152.08409	1.4
153.05582	2.1
161.04564	13.2
179.05629	5.3
192.11592	2.7
203.05659	5.3
207.13887	19.8
208.45117	0.8
221.06627	1.1
245.76729	0.8
411.20172	1.8
453.24915	6.5
511.65475	0.9
513.22876	7.7
513.30841	2.3
529.55756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43625	1.3
55.01883	3.6
57.03447	71.5
57.47723	1.4
59.01380	100.0
61.98819	12.2
70.69505	2.1
70.69834	1.3
71.01379	48.7
72.99311	2.6
73.02944	27.3
75.00875	1.4
79.88034	1.4
80.96527	3.8
81.03466	1.5
82.95417	2.8
83.01376	10.7
85.02948	20.4
87.00861	3.3
89.02446	21.8
95.01408	3.3
97.02941	1.9
99.00867	3.8
99.04515	69.5
101.02438	67.9
113.02440	24.9
119.03507	7.8
123.04516	4.5
125.02448	33.2
130.08749	1.6
131.03537	3.3
137.09738	7.8
143.03462	7.1
149.04517	2.8
159.02988	3.8
161.04538	31.6
177.69574	1.4
178.90143	1.3
179.05675	9.4
187.87866	1.6
197.05594	1.3
208.63133	1.5
221.06677	2.2
239.43513	1.4
263.07629	3.5
291.18118	14.7
311.85190	1.5
323.09778	5.5
369.19083	2.1
377.70090	1.4
453.23398	61.8
513.21545	4.9
513.22754	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	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99966	0.3
57.03439	0.4
59.01378	73.1
60.95761	0.3
69.90186	0.9
71.01382	4.0
73.02951	0.6
85.02967	2.3
85.49406	0.3
89.02448	2.5
94.23396	0.4
95.01414	1.0
101.02438	4.9
113.02441	6.8
119.03507	2.3
119.05055	0.5
125.06075	0.4
143.03535	0.4
148.08926	0.6
150.10501	0.6
151.11362	0.6
156.44485	0.3
156.75710	0.3
161.04549	1.8
163.11351	0.6
165.12845	14.6
166.13214	0.4
176.12041	0.5
177.40918	0.3
180.89024	0.3
183.13861	2.4
191.14713	0.3
221.06721	0.6
227.12852	2.3
245.19089	0.4
247.20650	7.6
262.28326	0.3
271.20651	0.3
273.18597	4.3
287.20282	0.6
291.19647	100.0
292.19971	3.7
301.16403	0.7
305.21179	2.2
309.20926	0.5
315.19565	0.7
333.20706	4.5
333.87479	0.4
345.20782	0.9
359.25830	0.4
363.21317	0.5
377.27191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11198	0.4
59.01378	7.5
61.71539	0.3
71.01383	4.1
73.02934	0.9
78.95900	1.0
83.01367	0.8
85.02949	1.1
87.00834	0.7
89.02439	4.0
95.01445	0.5
101.02447	4.8
113.02415	1.7
119.03490	1.3
133.05069	0.5
152.99596	2.2
161.04526	2.0
206.02231	0.4
233.22630	0.6
235.08246	0.9
253.09274	14.8
275.20279	0.5
277.21710	100.0
278.22095	3.4
291.68652	0.5
318.14801	0.4
368.85641	0.4
431.21851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62310	0.0
55.01874	0.4
55.80310	0.0
55.90489	0.0
57.03438	0.1
58.00612	0.1
59.01375	8.4
60.01698	0.0
69.03446	0.1
69.12379	0.2
71.01376	5.2
72.01697	0.0
72.99300	0.1
73.02944	1.3
75.00877	0.1
75.01611	0.0
78.05811	0.0
81.03452	0.1
83.01385	0.7
83.05019	0.2
85.02943	1.3
86.00111	0.0
87.00869	0.6
88.92939	0.0
89.02438	4.2
90.02760	0.0
91.03988	0.2
94.27477	0.0
95.01392	0.4
97.02926	0.2
97.06588	0.1
98.18184	0.0
99.00870	0.2
99.04537	0.1
101.02437	5.1
102.02824	0.0
103.00390	0.0
103.04010	0.1
111.00889	0.0
111.04553	0.1
112.01639	0.1
113.02447	2.3
113.06039	0.1
113.09743	0.0
115.03994	0.2
119.03497	1.2
120.02227	0.0
125.02438	0.2
127.03978	0.1
127.07668	0.3
129.01859	0.0
131.03520	0.2
133.05090	0.4
140.08986	0.0
141.09236	0.1
143.03467	0.5
145.05035	0.1
149.04553	0.1
152.99579	0.0
157.05048	0.3
161.04552	1.9
173.69441	0.0
179.05620	0.5
182.13097	0.1
187.06154	0.1
205.19614	0.1
208.14583	0.0
233.22739	0.4
235.08209	1.2
253.09264	17.0
254.09645	0.3
259.20590	0.4
275.20004	0.3
277.21692	100.0
278.22025	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	514.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.7
61.98829	100.0
71.01385	1.5
74.02462	0.5
76.79211	0.4
85.02921	0.5
87.05629	0.5
88.04056	0.6
89.02464	0.9
96.00925	3.5
96.96027	1.5
98.02488	1.7
101.02462	1.0
113.03596	1.3
115.00406	0.7
116.07224	0.9
123.03297	0.4
127.05129	0.7
128.03545	1.3
129.10298	0.5
130.08739	6.0
131.04662	0.7
139.08768	0.3
140.07222	0.5
155.05766	0.6
162.65631	0.4
165.10408	0.5
166.08646	0.5
180.10214	0.5
206.43053	0.4
226.15657	0.6
265.05066	1.9
309.04083	0.7
399.26404	0.5
450.10254	0.5
455.21307	0.9
479.26163	6.0
479.31796	0.5
496.28748	4.2
514.29956	8.4
515.12262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.7
59.01387	1.7
61.13037	1.3
68.12964	1.2
73.04047	1.6
74.02471	11.5
82.02982	7.6
82.15718	1.4
84.00902	2.3
84.04538	3.7
87.05627	1.6
93.15415	1.4
96.96001	2.4
102.05000	2.1
102.05610	20.8
102.94123	1.3
109.03999	1.4
113.07200	13.7
114.05605	1.4
115.08776	3.5
123.05630	6.0
124.04037	12.5
126.01942	7.2
126.83890	1.4
127.05166	9.0
128.03535	100.0
141.06680	6.2
146.04587	25.6
152.06770	1.5
155.08279	6.4
159.07706	3.8
166.06352	1.6
166.09828	1.6
167.04599	18.1
184.10898	4.8
185.05617	4.3
195.07834	2.0
198.12466	1.6
208.10968	1.8
211.07304	2.2
213.08734	2.1
223.10632	2.1
224.10384	5.0
237.13589	3.7
255.14627	8.9
266.11401	15.7
284.12503	6.3
323.13495	2.1
341.14624	30.0
371.87076	1.5
384.18747	2.2
385.17203	16.6
470.18893	32.5
471.18729	1.5
514.21454	82.6
515.21545	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	514.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01370	3.3
61.98820	3.1
65.31189	0.9
69.03448	1.0
69.85725	2.4
71.01388	2.6
72.11043	0.8
78.93819	0.9
85.02953	2.0
89.02372	0.9
97.02946	12.1
97.88251	0.9
105.28128	0.8
113.02428	4.0
137.09715	5.1
150.68069	0.9
171.10268	9.7
193.29192	0.8
211.13376	1.6
221.11731	1.7
239.12794	2.2
273.18784	1.4
291.19684	6.8
291.55676	1.1
309.20703	100.0
310.21045	5.2
333.20657	2.5
351.22144	1.1
410.65347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98803	2.7
62.77439	1.7
69.87679	5.5
71.01361	1.9
89.02376	1.8
101.02337	1.9
111.08151	7.2
113.02466	4.0
118.70738	1.9
197.11824	20.0
211.13271	2.1
263.20184	2.1
291.19662	10.7
309.20715	100.0
310.21164	2.8
396.41309	2.3
514.29718	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	514.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35519	0.3
56.95027	0.3
58.02764	0.8
58.03086	3.3
59.01491	1.2
61.98590	0.8
61.98941	2.4
69.55598	1.0
71.01477	0.5
73.04201	1.6
74.02134	3.0
74.02605	15.0
82.06738	0.6
82.95539	0.3
86.25207	0.3
87.05788	3.2
88.04144	0.7
97.04238	1.6
98.01956	0.6
98.02636	2.2
98.22614	0.6
101.02570	0.5
101.07358	0.9
112.02967	1.0
113.03692	0.3
115.05302	3.0
115.25164	0.3
116.03667	0.5
122.05021	0.3
126.09420	1.2
127.05261	0.3
128.10928	0.3
129.09468	0.7
129.10526	11.2
130.08755	2.9
139.08960	0.5
139.12480	0.4
140.07358	1.3
140.10980	0.6
141.10455	0.8
143.11899	10.6
151.08794	1.8
152.07333	0.8
153.05429	1.5
153.10315	3.4
155.12119	1.8
157.13551	0.6
165.10466	0.4
166.08873	0.7
167.12016	0.6
168.11417	10.5
169.09830	3.2
179.11917	1.9
182.13098	0.6
183.11386	3.7
186.12477	7.1
187.10851	4.3
196.14677	0.4
200.14081	1.4
200.45392	0.3
210.12468	27.3
211.11139	0.6
211.13000	0.3
212.14172	0.5
214.15602	15.6
223.10880	0.3
228.13512	13.4
238.15799	0.4
240.13721	0.6
242.15356	0.3
252.21022	0.6
254.15340	0.4
257.16324	0.5
258.14572	2.4
271.17993	0.4
299.17319	0.7
300.15637	0.4
305.70847	0.3
309.22977	0.4
327.23962	8.8
328.24228	0.3
332.49564	0.3
351.24139	0.5
371.22983	2.2
384.26169	2.1
419.59598	0.3
426.27274	0.8
428.25043	0.5
470.26166	100.0
471.26508	4.5
496.27771	1.3
514.28827	24.4
515.28845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85073	0.2
61.98831	100.0
63.09538	0.2
68.21996	0.2
70.79007	0.3
76.44749	0.2
85.17540	0.2
86.72098	0.2
97.60571	0.2
106.15220	0.2
110.26208	0.2
182.99640	0.2
199.80484	0.3
214.87369	0.2
264.37488	0.2
302.31607	0.2
371.93350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09550	1.2
57.03428	2.4
59.01378	62.1
59.95923	1.5
61.93542	1.2
69.56459	1.2
71.01380	44.3
71.01784	2.1
72.99314	8.7
73.02952	1.7
74.02498	1.4
75.00866	3.2
75.27572	1.2
78.95884	9.6
83.01399	2.0
85.02947	5.9
87.00878	3.1
88.04042	1.5
89.02444	46.1
93.03459	4.4
95.01393	2.9
96.96947	14.4
99.00893	6.6
101.02438	22.2
111.00890	5.9
111.04534	1.8
112.98788	8.1
113.02436	13.7
115.00369	5.5
119.03514	15.2
124.98831	1.3
129.01939	2.7
129.10345	3.3
131.03503	2.7
131.07457	1.3
131.08258	35.1
133.01462	12.0
142.99849	12.5
143.03497	4.6
145.01430	1.5
149.04517	2.2
152.95923	2.9
154.95775	5.2
155.03479	1.6
161.04532	3.6
170.97015	3.9
172.89941	12.5
172.96790	8.8
173.00896	17.9
173.04546	8.9
173.07916	1.6
173.09258	14.9
173.10451	26.2
179.05603	20.1
191.01871	1.3
232.05191	1.5
243.78374	1.4
258.03137	1.6
316.24161	1.4
325.66998	1.4
341.10864	100.0
342.11234	4.2
343.11060	1.6
374.19586	1.4
397.02936	1.4
490.70227	1.5
497.63934	1.5
515.08240	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.8
59.41655	0.6
66.59203	0.6
69.08929	0.6
70.64932	0.5
71.01394	3.8
71.42527	0.7
79.61164	0.5
89.02444	5.8
93.03436	0.6
101.02454	1.8
113.02412	1.2
114.05617	1.8
119.03490	1.7
122.84710	0.7
131.08261	100.0
132.08583	0.8
143.03526	0.8
147.22729	0.6
156.07776	4.5
172.89867	0.8
173.04535	1.6
173.10437	88.4
174.10867	0.9
179.05606	2.1
312.27475	0.6
341.10840	12.6
405.25781	0.7
408.16885	0.7
429.26926	0.6
518.95563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.9
67.22800	0.3
71.01379	3.0
83.06116	0.5
85.02985	0.4
89.02443	4.4
95.96598	0.3
98.21847	0.7
101.02414	1.9
113.02456	1.1
114.05604	1.5
119.03497	1.5
131.08261	100.0
132.08600	0.9
156.07776	4.4
161.04515	0.6
173.10429	71.1
174.10739	0.4
179.05615	2.1
235.14690	0.4
237.04131	0.4
341.06982	0.6
341.10873	9.2
378.48755	0.4
420.32809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08947	1.7
57.03447	45.0
59.01378	100.0
61.98828	16.6
66.65910	1.6
69.49663	9.4
71.01387	18.3
73.02946	13.8
80.91645	2.0
81.03473	2.0
83.01375	3.6
85.02931	6.0
89.02448	17.7
91.75624	1.9
96.73246	2.0
96.95966	2.4
98.22578	2.5
99.04516	49.0
101.02435	26.2
113.02450	13.5
117.03481	3.4
119.03518	6.5
123.04531	3.9
125.02444	16.9
131.03519	2.3
135.04552	3.7
141.05371	1.8
143.03503	3.1
145.02971	10.8
149.04605	2.5
156.51520	1.6
160.01717	1.8
161.04552	7.4
162.03185	2.5
163.03990	2.4
179.03447	2.4
179.05624	5.4
209.11650	2.1
236.49019	1.7
275.09201	2.4
340.08121	3.0
371.20712	2.3
515.28528	34.4
516.27869	2.8
542.08295	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	515.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26522	1.3
55.01885	1.6
56.29808	1.7
57.03448	100.0
59.01377	86.7
61.98820	3.0
69.24727	9.2
71.01372	18.1
73.02935	6.6
83.01326	2.7
85.02934	3.6
89.02452	16.8
90.37668	1.6
92.48785	1.7
95.01360	2.8
99.04519	83.7
101.02447	31.3
113.02444	7.1
119.03483	4.6
125.02449	23.8
133.02943	5.0
134.03761	2.5
143.03445	4.3
161.04539	3.8
173.52199	1.6
177.01936	58.3
177.03497	3.1
178.02284	2.5
179.05586	4.3
241.41917	1.6
371.20596	4.6
413.21616	2.6
515.11871	2.9
515.25275	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	515.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02790	0.8
57.03448	74.2
58.03774	1.2
59.01378	100.0
60.90879	0.8
61.98818	5.1
63.31039	0.7
69.30804	3.8
71.01378	18.4
73.02948	11.3
81.03431	1.7
83.01373	5.5
85.02947	7.0
87.00854	1.2
88.34920	0.8
89.02448	7.2
89.99825	0.8
95.01427	1.3
99.00877	1.1
99.04517	87.4
100.04872	1.5
101.02445	32.6
103.93495	0.7
113.02448	9.5
119.03493	3.3
121.89685	0.9
123.04504	5.1
125.02443	32.8
133.03021	0.8
143.03494	3.7
149.04567	1.3
151.00383	0.8
153.05591	1.0
159.02986	1.2
161.04576	6.2
165.37662	0.8
170.93399	0.8
177.01889	1.3
179.05522	1.0
209.15498	2.6
271.06110	1.5
353.19659	3.6
371.20776	16.0
413.21735	5.6
453.24902	1.3
471.25320	1.0
505.41815	0.8
515.23804	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	515.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30507	1.1
55.01870	2.0
57.03449	76.4
57.40925	1.1
59.01380	100.0
60.01723	1.1
70.18721	2.1
71.01380	19.7
73.02948	6.6
81.03458	2.2
83.01377	4.8
85.02951	9.9
89.02455	4.6
95.01399	1.5
97.87625	1.0
99.00856	3.5
99.04518	95.8
101.02445	29.6
113.02452	7.7
125.02448	37.1
143.03461	3.7
157.32768	1.0
159.02995	2.3
161.04559	7.7
179.03490	2.0
194.05821	2.5
209.08066	3.1
209.15388	2.7
223.49123	1.2
252.11743	1.2
269.47867	1.1
353.19556	6.8
371.20764	30.6
372.20694	2.5
374.73715	1.1
413.21713	11.4
453.25089	1.5
471.25809	3.3
495.98349	1.3
515.25128	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	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
59.01380	70.4
59.01625	0.8
59.01701	1.3
61.98834	4.4
69.03461	0.9
69.17109	1.4
69.17535	4.7
71.01012	1.5
71.01382	22.1
73.02950	30.0
79.05547	2.1
81.03467	2.9
83.01382	8.6
85.02943	4.6
89.02446	13.0
90.00356	0.8
95.01389	2.0
95.05058	1.4
96.95969	1.0
97.02951	0.7
97.06599	1.8
98.22695	1.6
99.04522	85.7
101.02444	47.4
113.02453	15.9
113.06094	3.2
119.03503	5.7
123.04533	18.9
125.02454	31.1
131.03537	2.5
141.05576	3.2
143.03528	5.3
146.27354	0.8
149.04527	4.5
153.05563	3.8
155.03459	0.8
161.04558	10.2
174.61617	0.8
177.01967	1.9
179.05621	3.0
203.05637	1.1
221.06633	1.9
273.08304	0.8
283.40326	0.8
515.24854	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	515.287
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
51.25738	0.6
57.03204	0.5
57.03447	6.1
58.02972	11.3
59.01379	9.5
61.57036	0.5
61.98815	2.3
66.03493	0.6
71.01375	2.7
72.00909	0.6
72.38762	0.5
73.02934	2.7
80.05061	1.0
83.01348	0.6
85.02955	1.2
85.04040	0.7
89.02432	2.1
91.05531	9.7
96.95991	1.1
98.06119	2.4
98.21796	1.2
99.00819	0.7
99.04514	5.4
101.02425	3.5
111.05586	0.6
112.07661	1.1
113.02450	1.7
113.07207	25.6
114.05605	2.0
115.08784	3.0
118.06630	2.3
119.03468	0.8
123.04548	0.6
125.02441	2.0
125.07205	0.6
127.00405	0.5
129.10309	1.1
135.04518	0.5
138.09229	0.9
139.08705	0.7
140.07210	2.6
147.04521	9.7
150.12857	1.3
157.09833	2.2
161.04520	0.8
164.07169	5.3
164.23944	0.5
166.12360	0.8
181.13483	0.5
183.14951	1.5
194.11894	3.8
209.13062	0.7
209.16521	1.0
211.14572	2.5
217.13446	16.0
228.17186	1.3
230.37231	0.5
253.15540	1.4
261.12421	33.5
262.12723	0.6
279.64911	0.5
328.72159	0.5
394.04825	0.5
402.27716	0.7
429.28537	0.7
471.29654	0.9
515.28711	100.0
516.29163	5.4
534.83942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70976	0.3
51.82312	0.3
59.01373	5.9
61.98810	0.7
69.99601	0.3
70.90568	0.3
71.01375	4.2
71.15784	0.5
73.02950	0.9
75.00842	1.6
78.95904	4.9
83.01387	0.5
85.02937	1.3
87.00871	0.5
89.02441	3.3
96.96993	0.4
97.85526	0.3
101.02451	3.5
113.02477	1.6
113.35459	0.3
119.03505	0.8
139.22588	0.3
143.03572	0.4
150.97937	0.3
152.99593	10.4
161.04520	1.7
179.05566	0.4
220.04323	0.3
220.95766	0.3
235.08167	1.0
253.09293	14.3
279.23279	100.0
280.23596	3.8
344.23883	0.3
376.15750	0.4
396.56100	0.4
433.23618	2.1
468.25766	0.3
515.35797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57641	1.1
57.03436	4.2
59.01386	8.8
60.50763	1.1
61.98825	1.3
67.49928	1.1
68.99832	1.5
69.03455	3.5
71.01390	7.4
72.99291	1.9
73.02924	1.2
73.74511	0.9
75.00869	59.8
83.01369	1.3
85.02954	7.2
87.00886	6.6
97.03521	1.0
99.00876	5.5
111.00877	5.0
120.31884	1.3
129.01942	24.7
152.99623	1.8
276.42273	1.0
319.30133	1.5
349.30948	1.1
443.17178	1.1
497.34995	3.5
515.35889	100.0
516.36206	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	515.3741
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
57.01737	0.7
57.03437	1.5
58.23734	0.7
69.26024	2.0
69.26431	2.9
72.95808	0.8
75.00826	0.9
80.02698	1.2
80.29912	0.9
83.11544	0.8
95.05009	2.8
95.78588	0.8
97.06580	1.5
105.74178	0.7
109.19823	0.7
113.02455	2.1
126.03242	1.2
139.04008	46.7
165.12871	0.8
179.07062	1.0
209.08284	1.2
222.81268	0.8
270.35580	0.8
279.19659	2.3
281.21252	4.1
307.22769	1.7
433.41431	0.8
515.37384	100.0
516.37756	5.0
519.56219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
60.25250	0.4
69.86261	0.4
70.30519	0.9
70.30869	0.5
78.97318	0.4
79.99448	0.5
80.02665	0.6
82.47948	0.4
95.05027	2.1
95.49302	0.4
97.06602	2.0
113.02451	2.0
126.03236	1.1
139.04013	32.8
165.12848	0.5
179.07161	0.7
181.08813	0.6
193.31975	0.4
197.66087	0.4
219.21326	0.4
235.16972	1.6
279.19662	4.1
281.21237	6.2
282.22021	0.5
515.37390	100.0
516.37854	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	516.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38760	0.6
61.98829	100.0
71.47083	0.6
71.99339	0.6
74.74427	0.5
84.22050	0.5
91.95390	0.5
177.22269	0.5
213.59450	0.5
244.18369	0.6
421.37982	0.6
457.31082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98830	100.0
69.27501	0.7
83.52532	0.1
88.76944	0.1
89.86043	0.1
91.39611	0.1
105.04718	0.1
140.15659	0.1
250.11226	0.1
344.67166	0.1
498.04324	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	21.1
59.01384	55.3
61.98831	16.1
66.53593	2.0
69.49570	8.6
71.01381	15.8
71.05013	2.9
72.99321	2.7
73.02954	8.6
73.04088	4.2
73.14646	2.1
74.02470	5.6
75.00854	3.0
77.03967	4.7
81.03455	2.7
82.95437	7.0
83.01392	4.3
85.02975	3.0
87.00880	4.7
89.02437	15.1
93.03445	2.8
96.00884	2.6
99.04516	16.8
101.02442	16.8
105.01942	26.4
113.02460	7.9
117.03481	16.0
119.03506	3.4
121.02985	4.0
123.04533	4.5
125.02451	8.3
128.03555	5.4
130.08749	4.3
135.04518	6.5
143.11920	3.1
145.03014	3.1
149.02463	3.8
149.04475	2.7
150.05597	5.5
159.09215	2.6
161.02449	8.6
161.04630	3.7
163.04024	5.6
169.06447	2.5
179.03532	4.0
179.05553	3.3
191.03560	3.7
194.04507	3.4
203.08287	7.5
205.12360	2.3
209.08116	3.2
215.07169	2.2
223.13423	9.3
239.07144	2.8
267.12360	9.4
268.03867	4.1
269.04541	5.8
281.04480	7.6
282.05573	2.8
283.06100	68.0
284.06485	3.6
293.04517	5.3
311.05621	100.0
312.05847	3.6
323.05719	6.4
341.06631	14.1
355.13980	20.5
356.09750	9.9
413.08798	10.3
444.84564	2.5
457.87827	2.4
472.25363	5.2
473.10895	86.2
473.17828	4.3
474.11139	2.9
516.28058	12.3
517.19043	4.3
517.29712	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	517.1413
Annotation	Scytonine
Peak:m/z	Relative Intensity
59.01382	27.7
61.39355	1.8
66.39019	1.9
70.77874	2.4
71.01378	15.3
72.99306	53.8
73.02953	1.8
75.00867	16.0
78.95903	39.6
85.02959	10.0
87.00880	11.5
89.02433	15.4
95.01385	5.1
96.96012	3.4
96.96947	4.3
99.00882	5.5
101.02482	9.6
103.46017	1.9
105.01936	19.7
108.45836	1.7
113.02445	22.2
113.92000	2.0
115.00372	7.3
117.02026	2.0
119.03505	8.7
133.01411	13.4
135.02997	18.7
149.46700	1.7
152.95956	12.1
167.83659	1.7
169.98645	2.2
170.97008	14.9
172.98586	2.7
175.02463	5.2
179.05571	6.9
192.66544	2.0
244.97081	2.5
245.04248	2.7
265.56546	2.0
276.89203	2.6
282.92523	4.1
308.91821	3.9
338.89166	8.2
341.10986	2.2
344.85663	9.5
380.90280	38.1
382.90405	2.2
392.85938	2.8
499.13358	2.6
517.14093	100.0
518.14502	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43048	0.6
59.01368	1.6
72.44715	0.6
85.06590	18.3
96.96011	1.0
105.03439	1.1
113.05347	1.2
113.06087	15.1
115.04013	36.1
131.07149	2.4
133.02948	3.6
157.05051	3.9
161.02417	2.1
169.13492	0.6
175.06111	100.0
176.06477	1.4
177.01982	2.7
179.03543	0.8
190.99841	0.9
193.01389	1.0
193.05148	1.0
204.23203	0.6
212.85638	0.7
263.35141	0.7
267.06653	1.1
341.08572	0.7
393.71371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
69.17523	3.5
71.01378	3.7
71.49544	0.5
73.02949	0.5
80.95303	0.5
84.66432	0.6
85.02940	0.9
89.02436	4.9
91.05486	0.8
93.03480	0.9
101.02448	1.3
107.05029	2.8
109.02935	2.9
116.97235	1.2
119.04989	0.8
121.02961	5.4
122.03708	1.4
125.02430	1.6
128.97227	1.3
131.03491	1.7
131.05017	0.7
134.03729	2.1
135.04518	9.9
145.02943	1.6
145.91516	0.6
147.04538	2.1
148.05304	1.7
149.04582	2.5
149.06020	3.6
159.04497	3.5
161.06134	0.8
163.04007	100.0
164.04356	1.3
175.04016	2.5
176.04796	6.2
177.05566	11.7
187.04034	4.3
189.05792	0.6
205.05055	14.8
235.06158	2.2
323.64227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27882	0.5
59.01098	0.5
59.01380	1.5
61.04866	0.5
61.98828	100.0
71.01383	1.8
85.16420	0.5
89.02471	1.6
98.23708	0.5
101.02432	0.7
131.03458	0.6
149.04543	1.0
157.17970	0.5
159.83295	0.6
193.05133	0.6
205.12376	0.5
217.00310	0.8
247.58838	0.5
355.25061	0.7
499.22302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	92.9
60.61375	10.1
70.57434	18.7
71.01381	74.1
73.02954	16.8
83.11974	13.0
85.02911	11.6
89.02443	94.3
99.00906	9.6
101.02429	21.6
113.77938	9.4
125.02444	40.6
126.05624	9.7
148.05296	41.5
149.04539	12.2
164.39177	9.9
201.76656	9.2
233.06618	27.8
253.60686	11.2
293.08731	100.0
381.48926	11.3
497.96680	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	517.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03619	19.4
55.22552	22.1
59.01374	94.1
69.81284	50.2
69.81639	44.6
71.01393	70.1
74.02444	32.2
89.02463	69.9
98.22606	30.5
99.04498	31.5
101.02443	61.2
111.09482	27.5
112.87759	23.9
113.02465	54.3
127.05122	25.6
128.03535	79.4
129.10338	26.4
130.08745	43.2
131.07126	57.1
149.04575	64.2
161.04581	31.1
164.84964	22.9
236.09259	41.6
456.88339	25.0
517.20624	100.0
517.27179	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03031	1.1
57.03446	69.0
59.01378	100.0
61.98828	59.8
65.04727	0.9
69.14702	2.1
69.15112	3.4
71.01383	14.5
71.05048	1.1
73.02928	4.7
81.03458	1.8
83.01386	4.4
85.02959	8.6
87.00887	1.8
89.02466	5.1
95.01383	1.0
96.95975	0.9
99.00870	1.9
99.04517	86.6
100.04827	1.2
101.02442	23.7
101.38572	0.9
113.02450	5.9
119.03467	2.2
120.99626	1.4
125.02439	29.7
132.92291	1.0
143.03491	3.0
145.65767	0.9
152.74968	0.9
159.02982	1.3
161.04527	3.0
197.90997	1.0
261.82901	1.0
355.17535	1.1
373.14185	1.4
373.18646	19.1
415.19601	4.8
458.77679	1.1
466.65979	1.1
517.22827	4.2
517.30225	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	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
58.03791	0.6
59.01378	86.1
69.11077	2.5
69.11487	1.6
71.01380	16.6
73.02947	5.9
81.03451	2.0
83.01379	4.0
85.02951	3.9
87.00860	0.6
89.02441	16.6
95.01371	1.2
99.00861	0.9
99.04518	86.0
100.04874	1.2
101.02445	31.2
113.02448	6.8
119.03494	6.4
123.04521	1.0
125.02443	24.5
131.03546	1.6
137.81639	0.6
143.03503	5.5
148.14864	0.6
149.04518	1.6
152.11955	0.5
160.52739	0.6
161.04572	4.5
165.94260	0.6
175.76237	0.5
178.86070	0.5
179.05580	6.3
198.43735	0.7
205.12326	1.5
223.78366	0.6
299.38901	0.7
373.22354	3.6
415.23343	3.4
455.25912	0.8
511.23257	0.6
517.26288	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	517.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92986	59.1
75.36934	67.6
129.01898	93.0
256.53497	75.1
481.35220	98.3
481.96225	93.3
482.16550	100.0
498.40344	83.0
517.33209	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01375	4.8
61.98837	1.0
69.35551	1.2
69.35962	1.2
71.01376	3.7
73.02956	0.6
74.02483	0.8
81.03450	1.0
83.05038	2.0
84.89194	0.5
85.02937	1.4
98.22681	0.9
101.02438	1.2
104.05080	1.1
105.05753	0.5
106.06622	100.0
107.06953	1.8
108.08194	3.3
113.02454	3.1
118.06668	2.7
119.04974	0.5
120.08132	1.1
130.06613	2.5
131.03722	1.2
132.04601	0.6
134.06125	0.6
136.07726	0.6
146.06107	2.0
150.05603	76.0
151.05916	1.2
161.04533	0.7
164.07162	20.1
174.05582	1.9
176.35767	0.5
188.09286	0.7
192.06665	12.2
194.04578	26.3
201.81209	0.6
222.07669	0.9
227.07138	1.0
236.05627	7.8
240.11168	0.5
250.07188	0.9
278.06757	1.2
287.78964	0.5
296.07779	6.0
351.16223	0.6
356.09848	82.4
357.10251	2.1
398.10886	1.2
518.26196	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	518.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01378	10.6
61.98833	4.7
68.99809	0.9
69.03435	2.0
69.30576	4.3
71.01395	5.4
72.04498	1.2
73.04062	1.2
74.02476	2.6
75.00838	1.0
81.03455	7.5
83.01396	5.3
83.05013	1.1
84.02132	0.9
85.02921	1.2
85.06601	1.3
88.04121	0.9
89.02438	5.9
93.03458	1.4
95.01374	1.8
95.05034	1.1
95.37552	0.9
97.02936	5.5
97.06609	1.4
99.00795	0.9
99.04512	2.6
101.02457	4.7
109.02975	1.3
110.06107	2.9
111.04498	1.1
113.02439	3.1
114.05565	1.6
116.92878	1.9
117.03479	8.2
119.03502	1.2
121.06564	0.9
123.04523	2.1
124.01694	1.9
125.02447	18.6
126.05550	1.0
126.09243	2.7
127.05107	1.2
128.03539	3.3
129.10309	1.1
130.06221	1.2
131.03455	1.4
131.07121	4.5
132.03055	0.9
132.07520	0.9
134.03728	2.8
134.89775	1.0
135.08147	1.1
137.02505	1.4
138.03160	1.6
143.11917	1.0
147.04543	1.0
148.05330	1.1
149.04536	1.8
150.09247	11.6
152.07166	3.5
160.01660	2.5
161.02487	4.3
161.04604	1.3
162.09206	1.1
163.04019	1.0
164.04794	2.3
164.10811	1.8
166.08722	3.0
167.03493	18.4
168.10266	5.8
175.03993	2.4
176.04643	1.6
177.05580	1.4
179.05460	1.4
180.10294	1.9
186.12573	1.2
190.02722	1.4
192.06723	0.9
192.10306	3.5
193.05061	2.2
194.08212	48.6
195.08644	1.2
197.04501	4.8
203.70493	1.0
206.05530	1.0
206.06433	1.0
206.08139	5.7
208.09763	5.9
236.09273	100.0
237.09570	3.0
241.08713	2.3
246.45851	0.9
248.09216	2.6
262.07242	1.5
266.10294	34.8
267.10562	1.4
278.10266	3.0
304.08167	4.6
329.06625	3.9
338.12466	3.9
356.13586	12.4
358.46146	1.0
359.07507	1.2
398.07126	1.9
398.12433	32.7
399.12231	1.1
428.13440	5.2
474.25378	2.8
488.25204	1.6
500.15424	2.0
518.16376	9.8
518.27942	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	518.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09464	0.1
56.68403	0.1
57.33695	0.2
59.01354	0.2
59.48251	0.1
61.98828	100.0
70.49604	0.2
70.49926	0.2
83.80847	0.2
90.42394	0.1
95.42382	0.2
98.22536	0.2
102.45195	0.1
159.59393	0.2
260.34933	0.2
266.66553	0.2
276.59216	0.2
318.23419	0.2
334.33780	0.1
441.70609	0.2
474.67917	0.2
486.17227	0.2
539.48993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18069	0.7
55.83937	0.7
59.01374	1.2
60.10260	0.8
61.98829	100.0
82.62318	0.7
98.21866	1.5
117.07780	0.8
296.23077	1.5
418.42426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.8
59.01380	34.0
61.98829	18.9
71.01388	23.4
73.02933	6.9
74.02456	1.6
83.01395	2.0
85.02940	6.9
87.00874	2.5
89.02450	9.9
93.03448	3.1
96.00909	2.3
97.02942	1.6
97.81760	1.5
98.02485	2.1
99.00862	4.2
99.04507	12.8
101.02428	16.0
108.02187	1.4
109.02954	39.1
113.02454	6.8
115.00364	1.9
116.92856	4.4
117.03480	1.8
119.03493	2.4
119.05016	3.0
121.02953	2.8
123.04547	2.4
125.02460	9.4
127.05172	1.7
128.03505	7.1
130.08760	4.1
135.04489	4.2
143.03464	1.8
145.02942	11.5
146.03726	4.2
147.04520	45.8
147.05632	3.3
149.04594	2.7
149.05980	1.7
157.02942	5.9
158.03671	2.2
159.04521	19.1
161.02438	2.9
161.04567	7.2
163.04068	1.8
165.09113	1.5
171.04517	3.3
173.02406	4.4
175.03969	4.6
179.03561	1.4
179.05647	2.3
183.10201	1.4
185.02420	5.9
201.01950	1.7
203.03476	2.2
210.06703	1.5
211.07756	1.7
213.11436	2.0
221.06259	6.1
227.07127	21.8
229.01402	38.7
237.05644	2.4
238.06328	3.2
239.07135	8.0
249.05547	7.4
250.06360	3.8
253.08754	2.7
266.05771	3.6
267.06631	26.5
268.07025	2.0
269.08200	40.1
277.04974	12.6
278.05820	2.4
281.08185	10.3
292.66589	1.6
293.04517	6.5
294.05450	3.2
295.06125	19.2
297.13306	2.8
311.09268	2.1
313.07141	20.5
313.10791	9.3
339.05078	100.0
340.05386	3.4
365.10870	2.5
375.16623	2.5
417.17212	2.2
456.83450	1.7
459.18781	15.8
518.25995	2.0
519.20013	2.8
519.26056	6.2
520.25568	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	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.4
59.01374	9.9
61.98805	1.6
63.24118	0.8
65.48915	0.9
65.54547	0.8
69.85180	2.5
71.01386	3.1
73.02948	3.2
75.00872	3.5
75.04593	0.7
78.95929	0.9
87.90293	1.1
89.02449	3.6
98.21896	1.2
99.00921	1.1
99.92590	6.3
101.02467	2.2
105.03477	1.4
109.02949	5.4
116.92863	78.7
116.97224	2.8
117.01934	5.1
117.92870	2.1
121.02952	1.0
127.05113	1.0
128.03500	5.6
132.02156	1.0
133.02953	27.1
134.03775	1.3
135.04521	11.5
147.04543	1.2
149.06032	1.4
158.16592	0.9
159.04556	4.0
161.02443	100.0
162.02789	2.1
175.04027	1.5
175.35484	0.9
177.01941	3.0
177.05553	2.5
179.03491	24.6
203.03484	3.1
226.06335	2.1
229.01382	4.2
241.08719	2.4
267.06577	1.9
269.08176	4.2
295.06216	2.9
313.07172	2.0
313.10986	0.9
339.05029	4.5
341.08789	39.5
357.10013	1.0
429.07755	0.9
519.14899	2.1
519.21735	1.7
519.29108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1868
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.30566	0.7
59.01371	3.8
61.98808	1.9
69.10852	4.4
71.01376	4.7
71.80190	0.6
85.02937	2.0
89.02462	1.9
92.23287	0.7
98.22234	4.2
101.02428	1.6
108.02158	1.2
113.02426	1.2
113.99832	0.8
119.03474	0.8
121.02974	4.2
122.03770	2.7
125.87321	0.9
128.78917	0.7
134.03726	1.1
135.04497	0.7
136.01665	77.5
137.02391	2.5
151.04008	100.0
152.04370	2.3
160.05315	2.0
160.84247	4.6
161.02446	0.7
161.04547	1.6
162.03223	1.8
163.04031	2.1
175.04002	0.8
175.07634	1.2
177.05571	0.9
178.29892	0.8
179.03432	0.9
187.03896	0.8
203.07037	0.9
223.53430	0.8
248.61971	0.8
311.12833	0.9
342.11066	5.0
357.13422	93.2
358.13809	3.0
393.54959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03448	72.7
58.03781	0.9
59.01378	100.0
60.00667	0.5
60.01719	0.8
61.98830	6.9
69.30952	3.2
71.01385	12.4
71.74925	0.6
72.46534	0.6
73.02939	5.6
74.02425	0.6
75.00859	0.7
81.03462	1.7
83.01373	3.4
84.56294	0.6
85.02946	7.3
87.00859	1.1
89.02447	2.0
94.98095	0.6
95.01417	1.1
96.95980	0.6
98.72038	0.6
99.00885	2.2
99.04517	89.1
100.04859	1.0
101.02444	27.7
102.57998	0.6
108.81754	0.6
113.02441	5.8
119.03434	1.0
120.99632	0.9
125.02445	34.0
127.72626	0.5
130.08661	0.8
134.77124	0.5
143.03436	2.2
154.76726	0.6
156.61348	0.5
159.02927	0.7
161.04530	3.5
213.14905	1.3
222.49648	0.6
334.84451	0.7
357.18924	1.1
357.26251	0.7
369.25668	0.7
375.20215	20.6
375.27209	1.1
376.20737	1.4
417.21191	5.7
457.24081	1.1
475.24872	1.6
500.01535	0.6
519.24103	3.9
519.31201	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	519.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98036	26.6
58.63837	25.4
60.34122	23.6
61.98812	47.2
63.55857	24.9
70.94524	23.9
78.95899	77.6
92.42895	25.7
121.34608	27.7
152.99551	100.0
192.78348	27.1
217.50549	28.0
224.03758	29.8
242.55324	25.9
250.63828	31.4
255.73737	29.8
323.40045	26.2
455.06458	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3169
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
54.16566	0.6
54.30690	0.7
55.01874	0.8
57.03448	2.0
59.01379	20.9
61.98816	2.2
70.28705	0.6
70.38093	0.6
71.01382	8.5
71.47070	0.7
73.02939	2.2
75.00866	1.1
83.01385	1.7
85.02951	3.6
89.02442	2.8
99.00921	0.8
101.02452	6.6
113.02448	2.4
114.50022	0.6
116.92880	3.8
121.31696	0.6
152.66965	0.6
208.21236	0.7
213.05553	0.6
311.22302	2.0
323.22510	0.6
339.25394	3.4
357.26401	14.9
501.30545	2.4
517.55920	0.7
519.31726	100.0
520.32190	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	520.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01377	23.4
61.98827	3.5
63.20454	1.1
69.28683	3.4
71.01380	17.2
72.01735	1.3
73.02954	3.5
81.92592	1.2
83.01389	3.0
85.02948	7.4
87.00896	1.7
88.98823	5.9
89.02460	7.6
93.03494	1.7
95.01398	1.5
96.00931	2.8
97.02959	1.2
99.00907	1.4
99.04517	3.3
101.02448	12.3
102.02875	1.6
108.08197	84.4
109.02937	7.0
109.08520	1.5
110.03265	1.4
112.42092	1.1
113.02461	7.3
113.03564	1.8
119.03530	3.7
120.08215	2.4
126.57994	1.1
127.05177	1.7
128.03566	2.5
129.10406	1.7
130.08719	7.7
132.08209	3.1
133.02921	1.3
134.06071	1.3
145.02953	1.4
147.04466	0.9
148.07726	2.9
152.07172	80.3
156.79572	1.1
161.04564	4.2
162.45856	1.3
164.07153	2.0
166.08743	29.3
176.07159	2.8
180.06509	1.0
181.22694	1.3
190.54906	1.2
194.08177	9.4
196.06157	68.5
197.06392	2.2
199.18144	1.3
209.09152	1.0
224.09291	2.3
227.07054	8.0
228.07382	8.2
238.07224	17.7
254.09012	1.2
268.08240	1.2
280.08206	1.8
281.08255	4.1
282.08560	7.4
298.09329	11.2
312.09628	2.1
313.10861	3.9
314.11169	9.0
340.05460	1.3
340.09418	1.7
342.23972	2.2
358.11426	100.0
358.25916	2.6
359.11639	2.5
375.16461	2.0
376.16919	3.6
378.81348	1.2
388.18936	1.7
400.22128	1.6
418.18161	2.9
460.18869	1.1
520.24615	2.7
520.31482	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.4
57.03447	4.5
59.01376	44.5
61.98830	30.0
69.48183	3.5
69.48540	7.0
71.01381	58.6
73.02953	16.6
83.01385	8.3
85.02950	25.7
87.00874	2.7
89.02442	16.2
95.01363	4.5
98.22614	4.6
99.00886	6.2
99.04549	1.9
101.02440	57.4
113.02454	28.1
116.92838	4.2
117.92851	5.0
119.03516	6.9
120.54770	1.8
125.02409	2.4
139.16815	1.8
143.03468	4.3
145.93906	1.8
159.03018	4.4
161.04562	25.7
173.12941	1.8
178.24185	2.0
179.05540	3.0
193.16968	1.9
315.18115	24.5
340.25156	2.0
354.91861	1.8
455.20038	2.0
477.23404	100.0
478.23740	6.4
520.32324	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58601	0.2
54.28940	0.2
57.65619	0.2
62.96383	0.4
67.65238	0.2
69.17502	1.0
78.95900	42.6
96.96962	5.8
106.66344	0.3
113.90508	0.2
150.98030	2.1
152.99583	100.0
153.55692	0.2
153.99928	0.5
167.73300	0.2
171.00624	3.3
190.15021	0.2
279.23196	1.4
330.66922	0.3
404.70566	0.2
433.23566	24.0
434.23953	0.9
453.63876	0.3
483.78897	0.2
508.48059	0.3
520.26819	6.1
540.41187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.55664	0.4
135.22798	0.3
147.22462	0.3
157.88881	0.3
179.27026	0.3
179.32903	0.3
191.44254	0.3
295.22754	0.4
332.34872	0.4
372.01782	0.3
392.61511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96780	0.7
57.03453	4.9
58.17802	0.8
59.01382	15.8
60.99305	14.8
61.98833	4.3
70.90995	0.9
71.01377	9.8
72.99290	0.7
73.02947	3.5
74.02488	1.4
75.00884	1.6
78.95892	0.9
82.02960	1.3
83.01396	1.3
83.90460	0.8
85.02946	4.0
87.00845	1.2
88.98804	100.0
89.02444	5.1
96.00896	4.5
96.95990	1.7
97.02937	0.8
97.84045	0.7
98.02494	4.0
99.00877	1.5
99.04502	3.9
101.02454	6.8
109.04062	1.3
110.02467	1.9
113.02444	5.0
113.03563	4.2
116.92842	1.1
119.03526	2.0
119.05000	2.5
125.02450	2.4
127.05121	5.8
128.03523	2.1
130.08734	8.7
131.04599	0.8
143.03444	1.2
161.04564	2.5
165.01936	1.0
169.09843	0.8
169.32446	0.7
171.28189	0.7
179.05612	0.8
199.18094	1.2
208.10966	0.8
228.10286	1.5
243.17171	1.8
283.09882	1.1
285.04050	1.3
300.63245	0.7
341.14008	0.8
356.16479	0.8
359.20706	2.1
377.21948	0.7
388.18857	6.7
430.03888	0.7
461.09116	0.9
486.22473	10.5
490.26926	1.1
503.25171	2.5
520.27789	1.3
520.34900	3.2
521.27209	6.1
521.35657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
58.77961	0.4
59.01383	3.2
60.99014	1.0
60.99307	13.8
61.24986	0.5
61.98819	1.1
69.18349	3.2
71.01387	2.5
73.02937	1.1
74.71233	0.5
75.00819	0.5
85.02922	0.9
87.00845	0.7
88.98804	100.0
89.02440	2.0
93.03476	0.7
96.00943	0.9
98.02507	0.5
99.04501	1.6
101.02441	1.0
113.02428	0.9
114.09335	0.6
115.00338	0.7
117.03458	1.3
125.02473	0.7
125.34147	0.5
127.05119	0.6
127.90160	0.5
128.03517	0.5
129.10330	0.8
130.08755	1.0
135.04448	0.6
159.04506	0.7
161.02454	1.2
161.04588	0.8
269.04507	0.7
283.06119	8.1
293.04657	0.6
311.05591	14.0
323.05704	0.9
330.75089	0.6
338.85297	0.6
341.06671	2.4
359.12115	0.7
359.20520	0.7
431.09851	20.4
432.10046	1.3
503.02917	0.6
503.21613	0.9
521.24933	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	521.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25265	0.3
55.82855	0.4
57.03439	1.2
59.01381	4.3
60.99306	15.7
61.98817	1.1
67.27223	0.4
69.36403	0.4
71.01389	2.1
73.02932	0.5
82.95416	0.4
85.02934	0.5
88.04042	0.9
88.98806	100.0
89.02444	1.0
96.00896	1.2
97.02941	0.4
99.04504	1.1
101.02431	1.6
105.71291	0.4
113.02441	0.7
113.03580	0.4
117.03458	1.4
121.02974	0.5
125.02463	0.8
129.10312	0.5
130.08684	0.9
135.04462	1.0
152.52667	0.4
157.15048	0.4
159.04440	0.4
161.02438	0.7
161.04506	0.6
227.17455	0.4
230.22078	0.4
242.18787	0.5
255.14699	0.4
268.03757	0.5
269.04861	0.6
281.04654	0.5
283.03113	0.3
283.06113	8.7
293.08853	0.5
311.05630	14.5
312.05893	0.8
323.05685	0.9
329.13901	0.5
341.06595	2.5
356.17520	0.4
359.20670	0.7
377.17972	0.7
431.09808	22.9
432.10089	2.1
477.23453	0.7
486.20786	0.5
489.11517	0.7
521.24677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00651	0.8
54.08708	0.7
59.01365	4.0
62.47131	0.7
64.01459	0.9
69.30344	2.8
71.01372	4.1
85.02917	0.9
89.02431	2.2
89.79530	0.7
93.03407	1.0
95.01374	1.0
101.02478	1.0
108.02164	10.5
109.02946	31.8
115.00353	4.8
116.92844	1.5
119.03497	0.8
120.01271	2.2
121.02932	11.2
122.03738	1.8
123.04510	2.6
129.65312	0.7
133.02939	4.6
134.03775	1.3
135.04526	19.1
146.03749	1.6
147.04527	2.6
148.05315	2.2
149.06075	12.9
150.05556	1.2
159.04468	1.9
161.02484	6.8
161.06076	14.3
162.06886	4.3
163.07671	2.7
172.05228	0.9
174.03305	0.9
175.03944	3.2
179.03468	9.0
179.05850	0.8
185.06068	1.3
187.03972	4.9
188.04810	3.0
197.06198	1.4
213.05556	2.5
225.05623	2.1
226.06342	4.7
237.05542	1.2
241.05057	6.4
242.03259	1.2
242.05833	42.8
243.06595	100.0
244.06937	2.4
253.08626	1.1
254.05798	1.1
255.06700	4.1
269.08099	5.9
271.09741	85.3
272.10126	3.5
279.06580	1.0
282.05383	1.3
295.06473	0.9
297.07678	14.3
315.08676	12.2
341.06561	2.7
341.09369	0.8
357.09677	4.6
359.07712	16.1
380.74097	0.9
405.11899	1.5
431.10037	1.0
511.31686	0.9
521.12958	16.5
522.13239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
60.39763	0.5
68.88456	0.4
69.72216	1.1
69.72540	0.5
71.01382	2.6
75.33348	0.4
83.90630	0.4
89.02439	1.4
93.03465	1.1
98.11299	0.4
98.22614	0.5
99.27963	0.4
101.02409	0.6
107.05026	0.4
108.02171	4.6
109.02948	13.5
110.03307	0.5
113.02361	0.4
115.00367	1.8
120.01262	5.0
121.02951	8.7
123.04501	1.3
133.02962	2.2
134.03833	0.5
135.04521	7.9
141.26364	0.4
147.04529	0.7
148.05336	0.8
149.06073	3.5
159.04463	1.0
161.02455	4.2
161.06065	5.7
162.06897	2.2
163.07674	0.6
173.06128	0.6
175.03979	1.8
177.05623	0.6
179.03500	4.7
179.05688	0.9
187.03885	2.1
187.07558	0.7
188.04721	1.0
197.06097	0.6
213.05557	1.5
215.07170	1.1
225.05537	1.8
226.06300	4.8
241.05000	2.6
242.05836	19.4
243.06604	100.0
244.06972	2.7
253.08609	0.8
255.06577	1.6
269.08167	2.6
271.09747	36.0
272.10123	1.6
277.00339	1.2
282.05255	0.9
297.07639	6.6
315.08713	4.5
341.06644	2.1
357.09799	3.0
358.57159	0.5
359.07761	6.8
400.16910	0.9
461.10803	0.6
521.12927	6.4
537.60602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84329	0.5
59.01378	25.4
60.55872	0.4
66.92003	0.5
69.59229	1.9
70.80609	0.5
71.01385	6.6
73.04057	0.9
74.02481	0.6
74.10559	0.5
85.02940	1.3
89.02433	6.7
92.02687	0.8
93.03458	38.2
94.03806	0.7
95.01385	0.9
95.02539	0.7
101.02423	3.5
105.38773	0.5
107.05003	0.5
108.02172	0.9
109.02956	1.2
113.02460	3.1
113.03592	0.8
119.03512	2.8
121.02946	1.1
130.06221	0.9
135.04512	2.2
136.01672	2.2
137.02444	100.0
138.02768	1.4
140.49323	0.5
141.00491	0.7
144.07747	0.6
149.06111	0.6
151.04021	2.5
161.02464	0.9
161.04619	0.7
161.05983	0.7
169.07233	0.5
179.03482	15.1
187.04013	1.0
187.08383	0.8
195.01534	0.8
209.04547	1.6
219.01479	0.7
238.97153	0.6
239.05632	5.8
242.05859	2.6
243.01511	1.0
243.04051	0.7
243.06593	4.5
258.12027	0.7
261.02512	1.0
271.09741	6.0
297.07571	0.6
299.07715	68.3
300.08005	2.2
307.19794	0.5
315.08755	0.7
316.98367	0.9
341.08640	0.6
359.07724	0.8
423.07968	2.5
521.13098	0.9
522.19482	5.7
534.80585	0.5
536.22949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06903	0.4
54.44146	0.4
59.01368	0.6
63.31757	0.5
65.82121	0.4
69.15684	2.4
71.01364	1.8
73.02944	1.1
85.02934	1.2
98.22643	0.8
101.02453	1.1
113.02438	0.8
121.02939	3.3
122.03748	1.7
123.04575	0.6
125.33475	0.4
126.43179	0.4
136.05290	1.9
141.54596	0.5
141.93510	0.4
143.04965	0.8
147.04497	2.2
148.32120	0.4
149.02460	0.8
150.03217	1.7
158.03731	2.4
159.03200	0.4
159.04515	8.0
160.05295	31.0
161.04672	0.7
161.06058	7.9
163.03998	1.7
164.04764	2.4
173.06102	3.9
174.06821	2.3
175.07634	26.7
176.04797	0.7
176.08018	0.7
177.05574	3.2
178.06339	18.4
178.45483	0.5
192.07910	9.0
193.08725	2.7
232.99396	0.4
314.11526	1.0
315.12344	0.5
329.13919	100.0
330.14249	4.6
359.15012	3.5
371.15793	0.5
379.02777	0.5
461.92618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01883	1.6
57.03454	1.4
58.00593	0.4
59.01377	32.4
61.98840	0.9
70.98914	0.3
71.01381	19.4
72.99332	0.5
73.02944	3.8
76.59843	0.3
83.01392	2.7
85.02950	6.5
87.00888	1.2
87.67236	0.3
89.02444	11.2
95.01377	1.9
99.00912	1.0
101.02443	13.7
108.02164	1.0
109.02945	6.1
113.02448	6.0
115.42056	0.2
118.55545	0.2
119.03497	4.5
123.04549	1.0
125.02450	0.8
131.03526	0.5
149.04480	0.3
159.03146	0.7
159.04532	3.1
160.05336	0.3
161.04546	0.7
161.06036	0.3
171.04520	0.5
172.05327	1.4
172.75180	0.3
173.06070	3.2
175.07639	0.6
179.05602	0.5
187.07639	1.2
189.05547	2.4
190.06355	0.5
191.07104	1.0
201.05643	0.4
203.07109	0.9
205.08699	0.4
208.61911	0.3
213.05608	0.4
217.08690	0.5
225.05573	0.4
230.17719	0.3
240.04330	0.4
241.05049	5.2
253.05086	0.7
255.06616	3.3
256.07275	0.5
263.07193	0.4
267.06613	0.8
268.07364	1.1
269.08084	0.8
279.06671	0.5
280.07315	0.8
281.08170	2.1
283.09702	0.9
293.08188	0.5
295.09662	2.4
296.10480	0.8
298.08469	0.6
299.09192	3.4
309.11383	0.3
311.09277	3.9
311.12692	0.5
312.10117	0.4
313.10779	4.9
315.12262	0.7
326.11569	3.0
327.12350	1.0
329.10236	2.0
329.13882	1.2
341.13873	4.2
343.11938	1.3
344.12622	19.2
345.13144	1.0
354.88892	0.3
359.14972	52.0
360.15335	2.3
379.13910	0.3
389.59857	0.3
436.22858	0.3
521.20245	100.0
522.20721	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72784	0.5
52.16371	0.4
55.01884	1.4
57.03450	3.0
58.00592	1.4
59.01378	100.0
61.31839	0.4
61.98824	1.7
66.50444	0.5
69.37347	1.9
71.01380	52.4
72.01723	0.6
72.99306	2.2
73.02937	3.4
75.00887	1.0
76.77755	0.5
83.01398	2.3
85.02951	9.5
87.00871	3.0
88.98796	1.3
89.02443	70.1
95.01399	3.5
99.00869	1.7
99.04502	2.0
101.02439	31.9
105.01913	1.0
108.02153	1.7
109.02943	1.9
110.02509	0.5
113.02451	23.3
119.03502	30.4
121.02940	2.2
122.03717	1.3
123.04524	1.3
125.02422	1.8
130.08659	0.5
131.03511	3.6
143.03485	6.0
147.04434	0.5
149.04550	4.1
156.48961	0.5
158.03696	0.5
159.04523	2.4
160.05304	4.1
161.02435	0.8
161.04562	7.7
161.05981	1.3
166.08774	0.6
172.05292	2.9
173.05998	1.8
175.03957	0.6
175.07587	1.7
179.04056	0.8
179.05603	13.5
187.07539	0.5
189.05562	5.4
190.06403	5.6
204.07765	0.6
205.08670	4.3
281.08020	1.1
295.09567	0.6
296.10574	4.1
311.09546	0.5
311.12817	3.5
329.13763	1.4
341.13913	21.3
358.29404	0.6
359.20422	1.0
377.17776	1.6
520.34277	2.2
521.19604	5.2
521.26465	1.9
521.34918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59000	1.6
59.01369	3.2
59.19086	2.0
60.19914	1.7
71.01371	3.3
78.95900	6.1
89.02423	2.0
96.96001	5.1
96.96951	11.9
131.08260	70.5
141.00357	2.4
156.07790	4.9
168.97661	1.8
172.89888	2.8
173.00446	1.6
173.10422	100.0
175.25560	1.8
178.97310	2.8
179.05733	2.5
182.97774	1.7
187.83939	1.8
211.99496	1.7
217.30484	1.8
243.03581	6.7
269.32294	2.0
309.03720	2.5
341.10724	7.1
347.21576	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	521.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55857	0.4
69.45284	0.3
69.53164	1.4
78.95925	0.4
87.37202	0.4
102.99197	0.4
110.82533	0.4
114.05588	1.0
131.08261	73.1
132.08551	1.1
156.07773	3.8
173.10429	100.0
174.10735	1.5
176.56465	0.4
263.09857	0.4
322.39072	0.4
347.21567	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96522	0.6
53.20452	0.6
57.03438	1.2
59.01380	19.5
61.98821	4.8
67.06197	0.6
71.01388	8.1
73.02940	1.4
83.01399	0.9
85.02943	2.9
89.02444	2.8
101.02452	4.9
103.01537	0.8
111.00893	0.7
113.02437	3.2
119.13487	0.7
126.56239	0.6
130.77895	0.6
290.30789	0.6
293.40143	0.7
313.23816	1.9
341.27029	5.2
359.24307	2.1
359.28046	20.6
521.33337	100.0
522.33502	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	522.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02645	0.4
55.02361	0.3
59.01376	5.3
61.98828	100.0
70.51885	0.5
71.01382	3.8
73.02956	0.7
85.02952	0.5
89.02442	7.1
101.02440	4.6
106.52477	0.3
113.02456	1.0
119.03484	0.4
131.03505	3.2
143.58134	0.3
149.04550	9.3
161.04597	1.2
169.09856	0.3
169.26375	0.3
171.47780	0.3
191.05688	1.4
229.08533	0.4
236.18698	0.3
293.08856	0.6
311.09802	2.1
379.43872	0.3
395.51285	0.3
407.64542	0.3
407.72745	0.3
495.20963	0.3
498.87735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10065	1.9
55.23046	1.6
57.46655	1.6
70.17760	1.3
71.41319	1.7
83.18960	1.7
93.45262	1.6
112.64846	1.6
119.05054	7.8
122.03720	1.7
129.03499	11.7
130.04265	3.2
134.03754	13.0
135.04533	2.7
145.02995	3.1
146.03769	18.8
147.04529	71.0
149.02412	2.8
149.06090	24.1
150.03230	10.0
161.06058	10.8
162.03171	1.9
163.04013	21.8
164.04803	24.4
165.05574	100.0
166.05946	2.6
179.07144	63.9
195.06587	3.6
210.11617	1.7
219.06659	10.4
305.30460	1.9
313.07291	1.8
313.10876	24.6
325.10736	7.7
327.10800	4.0
343.11804	13.6
361.12900	10.4
539.80292	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	523.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43052	1.9
75.89149	0.8
91.05527	1.1
101.03973	0.8
103.05537	0.7
107.05035	0.8
109.70392	0.7
119.05022	7.4
122.03720	1.0
129.03481	11.1
130.04240	1.5
134.03746	20.8
135.04486	2.8
145.02937	3.3
146.03729	17.6
147.04520	70.9
148.04779	1.2
149.02370	1.3
149.06081	35.1
150.03226	3.1
161.06076	9.3
162.03162	0.9
163.04008	21.7
164.04790	29.1
164.06143	1.5
165.05560	100.0
166.05891	1.6
177.05594	0.8
179.07133	60.8
180.07484	1.2
195.06564	1.2
219.06610	11.7
237.07706	2.3
313.10806	36.5
314.11127	1.3
325.10699	6.8
327.10806	7.5
343.11819	17.2
361.12970	14.1
367.39133	0.7
406.26929	0.8
446.82626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48471	1.8
61.98811	1.6
67.26852	1.7
69.63148	2.9
69.63531	3.6
71.01343	2.2
73.18020	1.6
78.91875	5.4
101.03930	2.1
119.05021	10.3
129.03470	11.8
130.04221	1.9
134.03728	4.1
146.03726	10.0
147.04523	64.4
148.04895	1.9
149.06061	5.6
161.06107	4.0
163.04016	9.3
164.04787	9.5
165.05569	100.0
179.07137	26.2
200.08678	1.7
219.06505	4.4
307.23941	2.0
313.10709	3.1
325.10666	2.1
343.11902	4.8
361.12747	4.9
463.22162	3.3
535.26416	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	523.2181
Annotation	Mascaroside
Peak:m/z	Relative Intensity
59.01377	20.6
61.98811	1.7
70.44714	2.7
71.01376	11.4
73.02948	3.0
78.91861	1.9
85.02942	4.2
89.02434	5.2
101.02454	9.8
108.02156	5.7
113.02426	3.6
121.02945	9.6
122.03734	8.1
123.04523	2.2
124.01584	1.7
135.04448	2.8
146.03760	2.2
147.04454	3.8
149.21782	1.5
161.06052	2.1
164.04597	1.8
165.05554	14.9
179.07115	6.7
190.95596	1.8
192.26646	1.8
199.86662	2.0
201.74254	1.6
306.41406	1.6
316.22745	1.9
317.23181	2.3
328.12961	2.8
343.15414	3.3
346.14166	6.4
360.25531	9.6
361.12366	3.2
361.16583	54.3
361.25687	20.2
381.72031	1.8
443.08798	2.2
521.34253	1.6
523.21814	100.0
524.22083	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	523.2185
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03434	0.8
59.01374	3.3
60.19373	0.5
61.98817	1.5
63.57180	0.4
69.34090	2.2
71.01386	2.5
73.02953	0.9
75.00868	0.5
85.02960	1.0
88.98808	0.6
89.02433	2.1
90.65508	0.4
93.03479	0.8
93.04613	1.2
96.79539	0.4
99.00866	0.8
101.02443	1.9
108.05659	0.6
109.02950	4.2
113.02444	1.1
119.03493	0.6
119.05039	1.1
121.02955	11.6
122.03741	13.9
123.04517	0.9
125.02414	0.5
127.05154	1.6
134.03735	0.4
135.04497	1.5
136.05252	1.6
137.02473	0.5
146.03783	0.6
147.04509	4.7
148.05258	0.6
149.04524	0.5
149.06099	1.0
151.12845	0.4
160.05173	0.6
161.04613	0.6
161.06099	1.3
163.04047	0.8
165.01913	1.2
165.05566	22.7
166.05948	0.7
178.06361	1.2
179.07132	7.6
191.07179	0.5
203.09453	0.4
209.08186	0.7
223.09683	0.5
227.07103	0.6
239.07269	0.6
246.09863	0.5
264.11020	1.0
273.11371	0.5
276.84943	0.4
298.12006	1.0
313.14444	1.2
315.12424	1.7
316.12976	0.6
320.69797	0.4
331.15237	0.6
346.14194	9.2
346.18246	0.7
347.14624	0.9
361.16544	100.0
362.16949	5.1
377.11636	0.4
379.19907	0.5
463.21936	1.5
505.27847	3.1
523.28662	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	523.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99736	2.3
57.03444	3.9
59.01386	11.2
61.98829	8.9
71.01390	9.1
73.02963	5.5
75.00880	23.5
77.55173	2.6
85.02952	7.3
87.00865	2.8
89.02441	3.4
101.02459	9.6
113.02442	4.6
116.92827	2.6
127.07655	3.5
134.75375	2.2
151.23082	2.0
153.09244	2.3
161.04570	4.5
171.10297	5.6
185.11861	4.0
197.02303	2.3
197.11829	5.7
201.97104	2.3
209.11858	25.9
218.77115	2.3
238.12204	2.7
245.19009	2.2
289.18170	6.5
307.19116	50.8
308.19601	3.3
325.20209	100.0
326.20538	5.5
477.23315	12.8
523.22949	15.8
523.34601	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	523.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74307	7.0
57.03444	13.0
59.01381	42.0
61.98827	74.3
62.66517	6.8
69.17166	11.3
69.17564	46.4
71.01391	31.4
73.02932	12.5
81.35458	6.9
82.41553	7.3
83.05001	10.1
85.02954	18.1
87.00886	11.1
89.02457	22.2
89.33809	7.5
99.04499	10.1
101.02431	17.7
113.02436	21.9
125.02422	9.3
134.93031	6.4
135.04478	7.4
191.00346	6.5
192.77313	7.6
193.06577	8.2
209.11804	43.3
227.12869	22.3
285.18439	7.5
293.08820	19.6
307.19070	34.5
325.20126	93.7
361.29355	12.8
523.35065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.5
58.00580	2.7
59.01379	100.0
60.01769	2.8
61.98827	25.1
64.11608	2.3
71.01380	58.2
72.99286	2.7
73.02943	17.9
74.02433	3.1
75.00863	3.5
78.19646	2.4
82.95415	3.8
83.01397	2.3
85.02937	12.6
87.00899	4.7
88.98797	9.6
89.02445	72.1
90.37903	2.4
96.96014	2.9
97.02950	2.6
99.00873	22.1
99.04491	4.8
101.02442	38.8
108.02190	11.7
109.02945	3.0
113.02451	14.0
116.92839	5.9
119.03502	8.4
121.02934	5.0
122.10835	2.6
125.02477	5.7
128.03490	2.3
131.03503	10.0
133.02956	8.2
135.02922	4.0
135.04495	3.0
143.03548	2.9
149.04572	42.6
161.02472	3.1
161.04524	7.9
162.03345	2.6
179.05618	3.4
191.05629	9.4
209.11826	2.7
239.07195	3.0
251.07765	3.4
282.65878	2.8
299.09241	8.7
314.21298	4.6
326.21234	18.5
331.17731	3.0
332.22070	4.9
361.18500	3.4
361.22452	3.8
362.23434	39.9
379.19891	3.2
391.19745	4.5
463.21866	72.9
478.17215	7.8
501.63693	2.6
523.23395	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14944	3.0
55.01867	5.0
57.03438	15.9
59.01377	100.0
61.98829	71.1
64.33929	3.0
69.22405	2.7
69.43716	10.7
71.01377	46.3
73.02940	24.1
75.00887	3.4
83.01396	9.6
85.02954	18.4
87.04523	6.4
89.02453	24.2
95.01392	3.5
99.00892	6.3
99.04520	14.6
101.02445	33.6
109.70105	3.0
113.02433	17.0
115.18518	3.1
119.03484	4.9
125.02435	5.0
153.10490	3.1
155.05901	3.2
161.04579	6.9
179.05606	6.4
191.42181	3.0
196.91345	3.5
217.14183	3.5
227.12834	7.6
283.15503	3.8
301.16522	41.6
343.88959	3.4
361.22217	5.8
361.29510	18.0
362.27148	4.6
379.19797	7.1
450.16162	3.6
467.93161	3.3
523.24036	7.3
523.35449	83.4
524.25818	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92009	0.9
53.26266	0.8
54.34838	1.1
55.01872	3.8
57.03445	9.0
57.32655	1.3
59.01377	60.1
61.98828	8.5
69.03457	1.4
69.72196	3.2
69.78980	1.1
71.01379	58.7
72.99316	2.0
73.02943	15.8
74.43393	1.0
75.00867	1.5
83.01391	6.7
85.02950	21.3
87.00871	4.4
89.02439	37.4
95.01383	5.1
97.02967	3.6
98.22650	1.7
99.00893	3.5
99.04524	3.4
99.44302	1.0
101.02441	49.6
103.03973	1.0
111.00871	2.7
113.02444	24.7
119.03506	14.4
125.02439	3.3
129.01965	1.2
130.08812	1.2
131.03525	2.9
133.02873	1.7
143.03513	6.0
143.10814	2.4
149.04584	1.4
150.40700	1.0
151.95963	1.1
153.12819	1.7
159.03009	3.3
161.02501	1.5
161.04552	13.5
179.05608	35.1
199.16968	1.1
221.06676	9.7
252.01552	1.1
286.12424	1.2
301.16611	4.1
325.20114	1.0
327.15408	1.0
361.29617	14.7
427.69858	1.0
463.21759	18.4
464.22284	1.2
487.29770	1.2
523.34955	100.0
524.35205	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	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03442	4.8
58.00595	0.4
59.01380	15.2
61.98832	1.6
69.03450	0.9
69.57858	1.2
69.58767	0.3
71.01382	20.2
72.99290	0.9
73.02946	9.3
73.03360	0.5
75.00857	0.9
83.01384	5.6
85.02948	11.8
86.00101	0.4
87.00864	2.0
87.04505	1.1
89.02454	1.9
95.01389	2.6
97.02971	0.7
97.06580	0.5
98.21932	0.7
99.00877	3.9
99.04524	0.5
101.02441	17.8
101.17641	0.3
105.01946	0.4
111.00877	3.9
113.02447	7.4
113.09644	0.4
121.08418	0.3
123.08161	0.6
125.02429	1.0
129.01917	1.2
135.04506	0.3
141.01950	0.3
141.09265	0.6
141.12874	1.2
143.03497	0.5
153.09236	0.7
155.10837	0.3
157.12263	0.3
159.03003	1.5
161.04572	2.1
169.12314	0.5
171.13887	2.1
171.48479	0.3
173.11823	0.6
179.05667	0.5
183.13914	0.4
187.13405	1.0
200.14131	0.4
201.14937	1.5
217.14360	0.8
265.14700	0.3
295.73553	0.3
315.25375	0.9
325.01596	0.7
325.20197	0.9
359.27948	2.5
361.29587	14.4
361.34158	0.7
362.29901	0.4
464.69693	0.3
467.55157	0.3
521.33124	0.5
523.34863	100.0
524.35376	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	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01374	1.5
60.53342	0.2
61.98827	100.0
65.47643	0.1
69.28770	0.8
71.01380	0.7
73.02955	0.4
83.05011	0.1
85.02968	0.3
88.98809	0.2
89.02448	0.3
90.85541	0.2
96.96045	0.2
98.01335	0.1
98.22630	0.2
99.00889	0.1
99.04510	0.9
101.02419	0.7
108.02152	0.7
113.02468	0.3
119.03493	0.2
121.02962	0.3
122.03729	0.2
125.02433	0.4
131.69868	0.1
131.81795	0.1
159.28423	0.1
161.04547	0.1
181.12389	0.2
208.78102	0.2
255.02959	2.5
283.02527	1.6
284.03296	0.5
297.04068	0.4
298.04785	0.7
299.05698	0.5
313.03613	0.2
361.16794	0.2
361.26349	0.3
362.27014	2.7
398.67310	0.1
446.08432	1.2
461.10867	5.6
461.20615	0.2
462.11459	0.3
524.22180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73691	0.2
53.75330	0.2
55.60490	0.2
57.03444	0.4
59.01375	1.4
61.98826	1.9
69.76970	0.2
71.01382	1.7
71.44752	0.3
71.45154	0.3
72.01709	0.3
73.02936	0.4
85.02939	0.7
89.02431	0.9
93.03473	0.6
95.01407	0.2
96.51326	0.2
99.00843	0.3
99.04433	0.4
101.02424	1.0
108.02175	22.7
110.03720	0.5
113.02444	0.5
121.02951	5.9
122.03742	2.1
122.06101	0.4
123.04491	0.6
124.07660	0.3
134.03757	1.3
135.04530	0.6
136.07706	0.6
149.04597	0.3
161.04596	0.3
163.52065	0.3
168.06590	0.5
227.06958	0.4
233.15454	1.1
237.10966	0.3
258.15109	0.3
260.16580	0.8
277.16458	0.3
285.12616	0.6
287.20193	2.4
288.19885	0.4
297.18600	0.6
299.19211	0.3
300.19836	0.6
303.13437	0.5
311.18842	0.3
312.19720	6.7
313.20169	0.5
314.21252	11.1
316.22760	2.3
324.19788	0.3
325.20499	2.6
326.21252	51.0
327.21658	1.9
332.22321	5.4
342.20679	1.1
344.22324	5.2
361.22601	2.2
362.23364	100.0
363.23682	4.1
449.19519	0.4
464.21976	1.7
499.16129	0.3
524.23309	0.9
524.29260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01377	10.8
61.98830	1.7
62.96137	1.6
69.80546	1.4
70.05811	1.6
70.06164	4.2
71.01380	5.5
72.81311	1.4
82.02983	54.5
83.01355	2.2
89.02431	4.3
93.03436	1.9
96.00932	2.4
97.02942	2.9
99.00917	1.8
101.02463	3.9
105.01919	1.7
113.02455	1.8
113.03599	3.7
114.05620	3.6
119.05027	1.8
122.06138	2.8
128.03539	1.7
136.04027	11.6
137.02403	4.1
138.97980	1.5
148.04083	2.0
149.02446	2.0
149.04666	2.4
153.06696	2.1
164.03558	17.7
164.04823	2.6
165.05574	3.3
166.02684	4.5
176.07063	1.7
181.05087	4.5
188.07191	2.3
189.06648	1.6
194.04590	13.9
195.05269	3.0
196.06155	14.5
200.07397	1.8
202.05038	2.3
202.08685	2.6
204.06627	6.8
206.04549	3.6
215.08324	2.6
216.06729	2.9
217.06219	7.0
230.04654	1.8
231.07668	7.0
232.08604	1.8
236.09053	1.5
244.09749	4.0
245.09233	2.6
248.05548	3.0
257.09366	3.6
257.12552	1.5
258.06192	2.5
259.07214	8.2
259.10770	2.1
262.07205	24.7
269.09317	16.7
270.07700	6.1
271.07245	7.2
285.08426	4.7
287.10364	50.4
291.09811	21.5
303.08728	25.8
303.13956	1.7
313.08286	31.4
327.08615	2.0
331.09409	14.4
345.10886	46.7
363.11829	12.7
387.11780	1.7
405.12912	2.8
410.35202	1.4
437.14410	5.2
465.14426	2.8
465.20120	2.2
493.14786	9.5
525.17242	100.0
525.25586	3.7
525.29877	6.6
526.17529	4.9
540.04047	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	525.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
61.98824	1.0
63.25985	0.7
70.02235	0.8
70.36863	0.7
70.52370	1.0
75.21336	0.7
76.03513	0.7
111.08152	2.0
169.12350	1.5
180.08052	0.8
187.91547	0.9
197.02251	1.0
197.11809	13.5
199.13408	1.4
209.11765	1.3
211.13336	2.2
239.16541	0.9
261.76111	0.7
291.19763	1.4
309.20554	2.3
325.20059	2.9
327.21741	100.0
328.21997	3.2
351.21445	0.9
404.95947	1.0
477.53546	0.9
525.24786	8.8
554.93976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69678	0.9
57.03452	0.8
59.01383	4.1
60.99303	1.0
61.98838	5.7
61.99637	0.8
69.16280	3.3
69.16685	2.4
71.01379	1.3
73.02932	1.5
75.81612	0.8
80.84946	1.0
83.05060	0.8
88.98806	4.9
89.02449	5.7
89.65656	0.9
98.22638	1.8
111.08163	2.4
113.02440	1.0
125.02456	1.4
144.48639	0.8
151.07524	1.0
171.10301	1.3
179.75809	0.9
189.40160	1.0
192.86647	0.8
197.11842	12.9
199.13329	2.5
211.13391	1.8
223.57388	1.0
233.30856	0.9
285.04935	1.0
291.19702	1.3
309.20572	1.8
327.21741	100.0
328.22180	4.9
483.33432	1.5
525.25018	5.9
525.34644	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	525.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
57.55473	0.8
59.01379	3.1
61.98817	4.8
69.15894	3.4
69.16290	2.0
71.01376	1.5
74.10134	0.8
85.02995	1.2
86.62336	0.8
89.02457	1.0
89.62441	0.8
95.55499	0.9
101.02428	1.1
103.73370	1.0
109.06583	1.3
110.85166	0.9
113.02388	0.9
125.87344	2.3
130.04501	0.9
136.51195	0.8
139.07719	1.0
153.12846	1.2
155.14458	2.2
173.28595	1.0
183.13873	4.0
199.13387	4.6
201.17233	1.0
202.76457	0.9
211.13359	3.7
227.12804	1.5
229.14433	100.0
230.14821	3.4
245.19011	1.0
253.09312	2.9
253.14545	1.5
260.53265	0.8
289.18109	14.2
291.19843	2.4
309.20734	11.8
327.21747	72.1
328.22009	2.6
384.31979	0.9
402.96609	1.6
446.95599	1.5
471.72635	0.9
525.24701	8.4
525.33868	2.6
525.95282	3.0
526.25006	1.4
532.96649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03444	3.8
58.00582	1.1
59.01377	85.1
61.98831	13.6
66.83335	0.8
69.03467	1.2
69.25575	4.5
71.01381	52.7
72.99310	1.4
73.02945	18.1
75.00873	1.2
80.91660	0.8
81.03440	4.1
83.01386	1.6
83.05029	7.8
85.00420	1.1
85.02944	7.7
87.00877	1.4
89.02442	100.0
89.51025	0.7
90.02791	0.8
97.02931	2.0
98.22701	1.2
99.00884	22.0
99.04508	1.7
100.07681	1.1
101.02440	47.0
113.02453	9.4
119.03520	3.8
125.02419	1.2
131.03511	20.9
143.03520	3.1
149.04552	76.1
150.04756	0.9
161.04582	4.8
163.70784	1.0
191.05609	19.0
191.07292	1.3
199.18169	0.9
221.06656	4.7
243.17186	3.0
244.17490	1.0
251.07697	4.5
267.12430	0.9
268.90860	0.8
281.08658	1.4
293.08737	2.4
306.07703	1.0
311.09958	4.2
439.90469	0.9
499.46860	0.8
524.36060	3.3
524.85986	21.1
525.28314	1.3
525.36139	12.4
526.18176	1.8
526.27570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59531	20.3
64.62147	22.3
69.12035	79.5
69.12439	42.1
85.00426	100.0
88.87266	21.8
93.18668	22.8
120.71061	25.4
121.14368	21.4
253.21695	28.1
289.21658	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08216	20.9
51.60909	22.0
54.58389	19.3
61.98809	19.7
64.44025	19.1
69.49120	100.0
102.66494	21.8
162.54768	23.5
165.12825	92.4
167.72673	21.5
183.13884	59.1
199.38504	24.6
294.03134	22.8
303.51859	21.5
425.14285	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	525.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73781	2.4
59.01375	43.5
69.11153	2.6
71.01383	100.0
71.23347	3.1
72.99309	42.5
73.02961	5.1
75.00876	11.0
78.52540	3.0
84.02185	3.5
85.02952	8.7
89.02441	27.4
94.01858	3.2
101.02425	4.2
103.00367	9.9
105.28643	2.7
107.26647	2.7
114.21004	2.7
115.00381	6.2
133.01443	44.5
161.52849	2.8
231.60759	3.0
283.08188	2.7
392.09558	3.3
417.37350	6.6
445.36807	17.7
451.43951	2.9
525.37878	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29456	0.2
57.03454	1.5
59.01379	2.4
61.98829	100.0
63.54100	0.2
71.01385	1.6
71.47099	0.2
80.96522	0.3
85.02949	0.4
85.53506	0.2
87.00923	0.2
89.02451	1.5
99.04500	1.2
100.04837	0.2
101.02446	1.3
113.02456	0.7
114.05642	0.2
117.17652	0.2
119.03516	0.7
119.05106	0.2
125.02459	0.7
130.08765	0.3
141.84094	0.2
145.65979	0.2
219.06625	2.7
220.06981	2.4
274.16150	0.2
526.18677	0.6
526.36426	0.7
527.18506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52409	34.9
59.39192	31.8
61.98831	62.6
66.97103	36.4
70.23476	100.0
78.95893	77.2
82.98367	39.8
84.10921	45.0
109.52380	43.0
144.82233	45.8
391.92026	43.6
439.68066	45.5
448.09662	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14563	51.1
77.62391	7.4
83.22466	7.2
85.00433	29.7
98.21799	14.2
140.68909	7.7
157.04695	8.1
213.45351	8.9
277.21774	100.0
532.69800	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	526.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.02953	0.2
59.01381	1.7
61.98831	2.2
71.01384	1.4
71.45141	0.2
72.05939	0.2
73.02939	0.6
85.02943	0.4
89.02459	0.4
93.03485	0.3
96.96031	1.6
96.96960	0.3
99.04511	0.6
101.02448	0.8
104.93106	0.2
108.02175	33.4
109.02462	0.4
110.03771	0.4
113.02451	0.4
114.05569	0.3
119.75584	0.2
121.02959	2.9
122.03731	0.8
125.02453	0.2
127.05059	0.2
129.10309	0.2
130.08755	0.8
134.03737	0.4
135.04510	0.3
136.05316	0.3
155.57056	0.2
161.04610	0.3
186.12550	0.2
213.85100	0.2
216.13849	0.2
221.39304	0.2
261.18301	0.3
262.17929	0.3
314.21194	0.5
316.22833	2.9
325.20471	0.3
326.21259	4.9
327.21844	0.2
328.22852	0.5
332.22443	0.6
344.22305	1.7
346.23853	1.7
363.20102	0.3
363.24194	3.0
364.24918	100.0
365.25214	5.3
376.18573	0.3
406.19730	0.3
490.43756	0.2
526.17633	0.2
526.30768	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	527.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09906	3.2
57.03448	73.1
59.01376	34.2
60.45061	3.3
61.98822	11.1
64.62441	3.0
66.03439	3.0
67.60747	3.3
69.03449	12.9
69.43419	3.3
71.01381	12.9
71.05025	20.2
72.99310	3.1
73.02953	13.0
85.02975	3.4
89.02433	4.0
97.50090	3.9
99.04516	51.3
101.02428	20.9
105.03456	3.8
111.08160	4.3
113.02461	6.5
121.02950	11.7
123.04521	7.1
123.08164	4.6
125.02433	38.4
129.09207	4.5
134.03735	6.5
137.06093	3.3
147.00896	4.7
149.09695	5.8
151.07629	12.1
161.02431	20.8
161.04520	16.2
177.09200	5.5
189.01958	5.1
197.11900	3.7
199.13364	6.2
203.05565	3.5
221.06046	5.2
221.08182	100.0
222.08575	3.5
305.08609	17.5
327.21786	20.9
329.23288	66.0
355.91977	3.8
465.32300	8.6
483.33142	7.2
527.26227	8.8
527.34021	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	527.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23239	1.2
57.03448	64.1
59.01375	31.5
61.98843	6.1
71.01381	7.5
71.05023	15.4
71.46951	1.3
72.99300	1.8
73.02944	14.1
74.15033	1.2
78.49710	1.2
79.05521	1.5
81.03445	1.5
83.01387	3.3
85.02975	2.7
88.90038	1.5
89.02457	2.8
97.06605	1.5
97.73677	1.3
99.04517	48.2
101.02441	21.0
105.03448	2.7
107.04996	1.9
113.02470	3.6
121.02973	10.7
123.04536	7.1
124.66917	1.3
125.01527	1.5
125.02441	26.8
134.03755	15.8
137.06105	1.7
143.03482	4.8
147.00894	3.4
149.02412	1.3
149.09731	3.6
160.48679	1.3
161.02454	20.1
161.04515	7.0
162.51418	1.4
177.09221	5.2
189.01910	3.9
199.13441	3.6
203.05617	4.7
211.13251	2.5
219.03020	1.7
221.08185	100.0
222.08585	3.3
305.08768	17.2
327.21777	10.7
329.23337	46.7
335.22128	4.2
465.32266	2.3
483.33047	3.0
491.28989	1.7
527.26196	3.7
527.34125	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62608	0.5
57.03448	38.0
59.01074	0.8
59.01378	15.6
61.98830	35.8
69.13946	1.1
69.14346	1.9
71.01393	3.8
71.58958	0.5
73.02940	2.3
80.25743	0.5
81.03453	2.1
82.95413	0.7
83.01372	1.2
83.05017	0.9
85.02943	2.2
87.00913	1.1
88.05714	0.5
89.02470	1.0
93.03420	0.6
95.01426	0.6
96.96013	2.1
99.00877	1.0
99.04520	44.4
101.02443	9.7
106.75042	0.5
109.06609	0.6
113.02439	2.4
116.92879	1.1
121.06583	1.0
123.04572	0.6
123.08161	1.3
125.02444	23.6
135.08133	0.7
136.05280	0.6
143.03476	1.6
145.23506	0.6
149.06084	1.4
150.91678	0.5
151.07596	2.4
151.11340	1.4
153.09224	0.5
161.04564	0.9
161.09717	5.4
163.07613	1.8
164.08473	0.8
165.09187	4.0
177.09204	0.8
177.12833	2.2
178.06352	1.4
178.09991	1.0
179.10777	13.8
185.09695	0.6
188.08318	0.6
191.07079	1.9
193.12296	4.8
203.10773	24.2
205.08673	1.6
206.09456	9.2
207.10153	0.6
219.10277	1.8
221.11816	100.0
221.28850	0.7
222.12161	2.3
285.04297	0.7
305.13733	0.8
306.36584	0.7
365.25223	0.6
366.26608	0.8
469.53159	0.6
473.95926	0.6
483.22278	0.9
527.21851	3.2
527.32343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	64.2
59.01377	28.7
59.82713	1.1
61.98825	7.1
69.33823	3.8
69.34225	2.5
71.01371	8.7
71.05017	19.6
72.99337	1.2
73.02942	9.8
77.36694	1.3
78.95924	1.2
81.03454	2.9
83.01393	3.4
85.02953	3.2
87.00884	1.6
89.02409	1.3
97.06606	1.7
98.21902	2.7
99.04514	45.0
101.02438	17.5
102.23390	1.2
105.03467	2.5
107.05044	1.6
110.76997	1.2
113.02483	3.9
119.03526	1.3
121.02966	9.7
123.04530	5.7
125.02440	26.4
134.03717	16.1
135.04520	1.2
137.06163	1.3
141.05592	2.1
143.03502	3.4
147.00880	3.2
149.09732	2.2
152.97481	1.5
161.02464	17.6
161.04550	5.4
171.10263	1.6
177.09224	4.0
189.01964	5.3
197.11713	1.3
199.13397	4.4
203.05585	4.7
211.13423	2.8
219.02893	1.8
221.08176	100.0
222.08559	2.9
293.20831	1.4
305.08801	18.6
327.21738	7.6
329.23303	56.8
330.23508	2.4
335.22153	2.5
353.43036	1.2
398.88754	1.3
471.92319	1.4
488.98553	1.2
491.28409	1.8
527.25848	5.5
527.35571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	64.2
59.01377	28.7
59.82713	1.1
61.98825	7.1
69.33823	3.8
69.34225	2.5
71.01371	8.7
71.05017	19.6
72.99337	1.2
73.02942	9.8
77.36694	1.3
78.95924	1.2
81.03454	2.9
83.01393	3.4
85.02953	3.2
87.00884	1.6
89.02409	1.3
97.06606	1.7
98.21902	2.7
99.04514	45.0
101.02438	17.5
102.23390	1.2
105.03467	2.5
107.05044	1.6
110.76997	1.2
113.02483	3.9
119.03526	1.3
121.02966	9.7
123.04530	5.7
125.02440	26.4
134.03717	16.1
135.04520	1.2
137.06163	1.3
141.05592	2.1
143.03502	3.4
147.00880	3.2
149.09732	2.2
152.97481	1.5
161.02464	17.6
161.04550	5.4
171.10263	1.6
177.09224	4.0
189.01964	5.3
197.11713	1.3
199.13397	4.4
203.05585	4.7
211.13423	2.8
219.02893	1.8
221.08176	100.0
222.08559	2.9
293.20831	1.4
305.08801	18.6
327.21738	7.6
329.23303	56.8
330.23508	2.4
335.22153	2.5
353.43036	1.2
398.88754	1.3
471.92319	1.4
488.98553	1.2
491.28409	1.8
527.25848	5.5
527.35571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18257	0.8
58.99646	0.8
59.01375	3.5
61.98834	5.4
64.18915	0.8
69.65361	1.5
69.65731	1.4
71.01398	1.0
71.39768	0.8
80.86280	0.7
82.95415	1.6
89.02392	0.8
92.94183	0.7
99.04519	1.0
99.08195	1.5
101.02397	1.0
116.86286	0.7
125.02454	1.3
129.09253	1.9
129.27164	0.9
131.28395	0.8
133.99277	0.8
135.51003	0.8
139.07649	0.8
142.28448	0.9
155.10739	1.2
169.12335	1.9
171.10345	1.1
179.36095	0.7
181.12331	1.3
183.13878	1.0
193.12308	0.8
197.77467	0.8
199.13428	5.0
209.11664	1.0
211.13402	3.1
241.89212	0.8
254.47577	0.8
311.22470	2.2
327.21848	5.1
329.23309	100.0
330.23618	3.5
483.33173	1.3
527.26068	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84470	0.1
53.21358	0.1
55.01871	0.2
57.03431	0.3
59.01376	6.2
70.96851	0.1
71.01378	4.2
72.99316	0.2
73.02940	0.9
80.02679	0.2
83.01383	0.6
83.05039	0.2
84.69147	0.1
85.02948	1.0
87.00877	0.4
89.02438	3.7
91.04000	0.1
95.01396	0.3
95.05003	0.3
97.06585	0.3
99.00874	0.2
101.01784	0.2
101.02442	4.3
109.06642	0.2
113.02441	2.1
119.03512	1.1
119.05006	0.2
125.06068	0.4
131.03464	0.2
133.05209	0.1
141.09187	0.2
143.03481	0.3
148.08952	0.8
149.04504	0.1
149.09747	0.2
150.10510	0.5
151.11276	0.4
161.04555	1.7
163.11278	0.6
165.12836	15.1
166.13197	0.3
175.11243	0.3
176.12045	0.3
177.12808	0.4
179.05566	0.6
179.14423	0.1
191.14400	0.4
193.12273	0.1
202.09996	0.1
205.61955	0.1
217.15965	0.5
222.85019	0.1
229.19693	0.2
235.08192	0.3
245.18869	0.1
247.20653	8.0
248.21140	0.2
253.09271	17.1
254.09479	0.2
264.75473	0.1
273.18607	4.4
274.18597	0.1
291.19638	100.0
292.19955	2.6
405.38483	0.1
527.28223	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56688	1.2
57.03444	2.3
59.01363	1.3
61.98803	2.0
69.30083	7.4
71.04987	2.5
97.02950	4.7
97.06587	4.7
99.00877	21.6
110.03748	1.6
110.32555	1.3
110.38622	1.2
121.85499	1.2
123.08168	2.0
125.09721	11.7
133.02893	1.4
148.45988	1.2
153.12759	1.7
163.11276	11.3
165.12846	7.0
181.12335	27.4
183.13893	63.4
199.13368	11.1
207.10255	35.1
209.11781	1.8
225.11307	58.8
227.12898	16.1
231.54866	1.5
243.12363	32.0
291.19745	2.1
299.15027	5.4
301.16635	9.6
317.16052	20.2
350.36520	1.3
364.08151	1.4
483.29568	4.7
509.27344	7.6
527.28583	100.0
528.28888	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	527.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74300	76.4
70.95529	100.0
76.14492	73.0
78.95904	84.7
90.09026	74.6
98.22616	73.0
113.86571	71.6
140.86536	74.3
236.61433	70.2
270.04425	75.8
336.17130	75.5
379.84308	77.1
418.43918	93.3
435.19342	94.0
472.49698	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40858	54.2
71.76851	55.5
73.79497	54.6
76.91287	54.3
78.95895	100.0
96.15622	58.1
96.16824	57.9
109.49632	56.3
151.74908	53.4
154.96291	55.7
188.23793	59.0
525.18146	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58099	0.4
56.43628	0.4
59.01374	0.5
64.86081	0.5
72.04079	0.4
72.99294	2.2
75.00869	100.0
76.01183	0.4
88.94219	0.5
107.98002	0.4
180.83411	0.4
181.24413	0.6
355.87488	0.5
359.67719	0.6
366.27094	0.4
451.33109	0.8
467.32202	0.5
509.94339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05574	0.1
57.03449	0.6
59.01371	1.2
61.98829	100.0
62.98544	0.2
65.87340	0.2
71.01384	0.4
73.02945	0.2
85.02972	0.2
89.02459	0.5
96.96030	0.6
99.04530	0.5
101.02468	0.5
113.02466	0.2
115.00404	0.2
116.07192	0.2
125.02477	0.2
134.06110	0.8
135.04485	0.2
144.56258	0.2
147.15919	0.2
153.04100	0.2
154.21785	0.1
154.23091	0.1
178.05174	0.6
184.47058	0.1
239.26680	0.1
242.24207	0.1
274.54810	0.1
319.40121	0.1
340.10458	1.1
354.88153	0.2
366.19547	0.4
367.25229	0.2
385.18527	0.2
528.19836	0.3
528.27618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53289	1.5
59.01371	5.2
61.98827	4.8
69.19835	5.9
69.20237	4.1
71.01369	5.8
75.00881	2.8
79.78218	1.5
87.04654	1.7
89.02478	2.3
98.21820	4.0
99.90854	2.3
101.02436	3.1
103.00359	3.4
220.61708	1.9
239.55946	2.0
249.18587	100.0
253.09242	18.7
282.36703	2.1
342.72302	1.8
400.44565	1.8
541.16083	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	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	94.3
59.01378	100.0
61.98829	5.4
69.03461	1.5
70.42009	1.0
71.01378	27.2
73.02949	21.7
74.69096	0.7
75.00822	0.9
79.05544	0.8
81.03455	3.5
82.96096	0.7
83.01390	6.3
85.02963	8.5
87.00878	2.2
87.05621	2.1
89.02448	15.7
95.01360	1.2
95.05012	1.2
96.96007	1.4
97.02934	1.2
97.06596	1.7
99.00905	1.1
99.04517	99.0
101.02438	46.9
108.02183	1.0
109.02981	1.2
113.02447	14.4
113.06083	3.0
116.92869	1.7
119.03490	7.1
123.04533	8.4
125.02443	52.2
131.03465	1.4
134.03740	3.8
135.11787	3.3
141.05550	1.7
143.03476	7.8
149.04549	3.2
153.09209	3.1
160.01677	1.6
161.04523	12.3
161.09732	2.6
163.11269	2.7
175.11293	0.8
177.01857	1.4
178.02779	1.5
179.05624	4.8
179.10771	18.5
181.12355	7.1
187.11253	3.4
189.12878	1.4
190.09900	1.9
200.14076	0.8
203.05627	1.7
205.12314	14.1
214.70615	0.8
221.06703	1.2
223.09749	24.0
223.13150	4.6
237.11398	1.7
265.10751	3.3
275.09274	2.5
305.08765	2.6
307.11829	2.9
340.07910	3.3
349.16473	2.0
367.17642	7.2
385.18723	7.4
427.19870	6.0
462.50015	0.9
467.23105	1.1
484.27740	2.9
485.28165	2.9
529.23297	10.9
529.29828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
59.01379	60.0
61.98829	9.7
65.74245	1.4
69.03427	1.9
69.50152	2.4
71.01376	21.7
71.05045	2.9
73.02949	23.8
75.00903	1.7
78.95912	2.5
79.05511	1.5
81.03454	6.5
83.01388	4.6
83.04999	1.5
85.02959	9.1
87.00864	3.1
87.04520	1.8
89.02444	10.7
95.01401	1.8
95.05065	1.8
96.96032	4.8
97.02969	8.7
97.06583	2.8
99.00867	2.0
99.04517	95.5
101.02444	41.7
109.06564	9.2
111.04549	2.6
113.02435	13.0
113.06110	2.4
119.03513	5.9
123.04532	16.1
125.02448	66.2
125.06075	1.7
130.06236	2.3
130.08792	1.9
132.33751	1.4
135.08180	1.9
135.11816	3.9
137.09692	1.7
143.03535	8.4
153.09219	1.7
155.03462	1.3
159.11667	2.2
161.04570	13.5
161.09758	5.4
163.11252	2.3
174.01662	1.7
175.11195	2.9
175.63402	1.3
179.05644	4.1
179.10764	29.0
187.11345	2.0
193.12363	1.7
203.05614	3.1
203.10725	1.6
205.08795	1.8
205.12398	3.5
221.11847	3.7
223.09752	79.4
223.13419	6.0
237.11360	5.2
263.07709	2.9
265.07019	1.6
265.10815	6.4
282.25162	1.4
305.08725	7.7
323.10022	8.9
385.14435	1.8
385.18781	3.1
485.20004	2.0
529.19635	6.2
529.30762	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	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.96206	1.7
57.03447	88.3
59.01379	100.0
61.98838	3.3
65.69834	1.8
69.62199	7.8
71.01375	32.9
73.02947	34.9
79.38705	1.9
81.03463	3.2
83.01407	6.3
83.05029	6.1
85.02952	11.6
89.02443	23.7
96.60939	2.1
99.04519	97.3
101.02440	51.5
107.05133	1.9
113.02454	23.5
119.03505	9.6
123.04530	11.9
125.02451	42.7
131.03479	2.0
135.44910	2.0
138.06920	2.7
141.05565	3.4
143.03484	15.8
149.04556	4.9
151.07668	3.1
152.08437	6.0
153.05542	2.8
153.09196	27.6
161.04556	25.3
164.04758	2.0
165.92017	1.8
179.05695	11.0
205.12317	23.4
217.17204	1.8
221.06618	3.5
223.13499	2.8
223.18707	1.9
263.07831	3.1
268.37900	1.9
282.35590	1.8
311.05875	2.0
323.09891	13.2
367.17517	15.6
374.53290	2.1
377.71613	2.2
385.18832	14.2
409.02380	8.9
411.78061	2.3
427.19812	7.7
431.09717	2.4
485.24203	4.2
529.22852	36.8
529.29724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01378	46.4
61.98830	70.5
69.03477	2.9
69.27773	6.6
71.01381	67.5
73.02941	32.5
75.00866	4.0
81.03453	4.4
83.01375	6.5
83.05026	2.0
85.02951	12.6
87.00882	3.5
88.25227	1.3
89.02438	6.7
95.13931	1.3
97.02946	2.4
98.21834	2.6
99.00891	1.4
99.04520	69.5
101.02444	32.2
109.02967	2.3
111.00874	2.8
113.02437	9.3
114.10544	1.2
119.03482	1.9
125.02454	38.4
125.09728	2.4
127.04024	14.5
129.01962	1.9
143.03465	3.6
147.11833	1.5
151.11272	2.6
153.12854	1.3
161.04503	2.2
163.11255	2.5
165.12859	4.1
167.10771	7.4
167.14413	7.4
181.12311	1.9
183.13895	7.4
185.11850	12.4
187.11255	2.3
189.12894	1.4
190.09991	1.5
195.13905	1.3
205.12328	47.0
209.11835	1.7
219.05042	3.0
223.13380	11.2
233.11763	4.3
241.14459	32.9
251.12811	8.1
265.14432	1.5
276.17496	1.3
277.14542	3.0
295.15390	12.4
329.23215	6.4
331.24881	51.5
349.16537	2.9
367.17566	17.6
385.18661	64.3
386.18970	3.1
427.19632	11.9
467.22763	2.7
529.22095	28.0
529.29950	3.0
530.22150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03448	58.0
59.01379	100.0
60.01747	0.7
61.98836	5.2
68.70371	0.6
69.03469	1.3
69.44018	2.3
71.01384	19.7
72.99301	0.6
73.02950	10.7
74.24168	0.6
75.00885	1.4
81.03473	1.8
82.95418	1.4
83.01376	4.8
83.05022	1.2
84.00938	0.8
84.95118	6.7
85.00441	5.4
85.02947	7.2
87.00881	1.7
89.02451	9.4
95.01392	1.4
96.00982	0.7
96.96041	2.5
97.02978	1.1
97.06624	0.7
99.00911	2.6
99.04520	54.2
101.02443	26.9
101.03095	1.3
107.05029	0.9
111.08250	0.7
112.01657	0.6
113.02451	10.1
113.06066	1.0
119.03518	3.6
123.04531	2.1
123.64357	0.6
125.02444	35.2
129.01955	1.0
131.03496	1.1
143.03534	3.9
149.04630	1.3
153.09204	2.0
161.04558	9.0
161.09808	0.8
163.11304	8.6
165.09229	3.0
179.05681	2.5
181.12344	22.0
181.13907	1.1
187.11247	3.3
189.12845	3.8
190.09999	5.0
203.05629	1.2
204.11496	0.8
205.12331	12.2
223.13417	3.4
229.12289	1.0
231.13904	0.9
247.13394	3.2
263.07748	1.0
279.13159	0.7
287.43390	0.7
312.41116	0.6
323.09784	3.4
349.16504	3.5
367.17581	8.3
367.24936	1.1
377.82626	0.7
385.18628	13.7
427.19693	6.9
467.22876	1.4
479.02158	0.6
511.29535	0.7
529.22937	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03428	0.3
59.01378	7.9
61.98817	0.2
69.03436	0.3
69.86600	0.4
71.01379	5.3
73.02943	0.9
83.01364	0.6
85.02953	1.2
87.00898	0.9
89.02443	4.5
91.04002	0.2
94.36894	0.2
95.01360	0.5
95.04993	0.3
95.56699	0.2
97.06551	0.2
99.00887	0.4
101.02443	5.9
109.06576	0.2
109.15703	0.2
111.08131	0.3
113.02459	2.9
113.09719	0.3
119.03497	1.6
125.02412	0.3
131.03537	0.3
136.92128	0.1
143.03465	0.6
149.04463	0.2
155.93346	0.2
161.04550	2.9
167.10727	0.4
177.12799	0.2
179.05594	1.3
179.10846	0.2
179.14421	0.7
181.12270	0.2
195.13898	8.9
196.14618	1.6
205.12369	0.7
205.16072	0.4
211.13379	0.2
216.22440	0.1
223.13382	5.3
224.14041	0.5
228.13602	0.3
231.21111	0.4
249.22267	0.2
253.09274	29.4
254.09628	0.4
256.13171	1.3
265.21738	0.4
275.20139	4.8
276.20358	0.2
293.21216	100.0
294.21570	3.2
322.96622	0.2
492.22284	1.0
545.53455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03434	0.3
58.00594	0.3
59.01378	9.0
61.98800	0.2
64.45627	0.1
69.03445	0.3
71.01379	6.2
71.04958	0.1
72.99293	0.2
73.02942	1.2
75.00867	0.1
76.47402	0.1
81.03439	0.1
83.01374	0.5
83.05025	0.1
85.02968	1.3
85.06625	0.1
87.00882	0.6
89.02445	5.9
91.03995	0.2
94.63133	0.1
95.01364	0.4
95.05021	0.1
97.02983	0.2
97.06555	0.1
99.00894	0.2
101.02444	7.1
102.03229	0.2
111.08154	0.4
113.02451	3.0
113.09711	0.4
119.03500	1.7
125.02444	0.3
125.09692	0.1
125.76652	0.1
130.21347	0.1
131.03496	0.4
141.09241	0.1
143.03493	0.6
148.76041	0.1
149.04576	0.2
157.05121	0.1
161.03209	0.2
161.04553	3.1
161.05843	0.2
167.10765	0.2
177.12823	0.2
177.16428	0.1
179.05614	1.4
179.10812	0.1
179.14436	0.8
181.12308	0.3
183.10222	0.1
195.13905	8.9
196.14694	1.3
202.56485	0.1
205.12296	0.7
205.15993	0.5
211.13321	0.3
223.13396	6.1
224.14041	0.4
225.14922	0.1
228.13693	0.5
231.21140	0.4
235.08247	0.2
239.12875	0.2
243.57777	0.1
249.22171	0.2
253.09282	31.6
254.09653	0.5
256.13168	1.2
265.21768	0.3
275.20157	5.8
276.20523	0.2
293.21216	100.0
294.21555	3.5
297.48465	0.1
492.21771	0.7
493.90247	0.1
503.64459	0.1
529.29907	0.2
537.75714	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.426
Annotation	Lignocerylferulate
Peak:m/z	Relative Intensity
68.26685	1.0
69.94100	2.2
69.94452	1.9
95.05033	2.1
109.59113	1.0
113.39389	0.9
135.70500	1.0
139.04012	48.9
144.77808	1.0
307.22839	2.3
309.24442	1.6
383.21030	1.2
529.42596	100.0
530.43042	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	530.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30946	0.5
54.15290	0.5
59.01369	1.4
69.78288	1.2
69.78626	0.7
71.01408	0.9
88.04013	0.6
88.60712	0.5
89.02444	0.9
96.96037	1.2
98.22575	0.8
102.40191	0.4
115.40893	0.5
119.05056	0.5
128.03470	0.8
128.24687	0.4
133.02963	4.1
135.04526	2.0
137.48195	0.5
144.04550	100.0
145.04897	2.3
147.74878	0.5
161.02432	21.4
163.04092	1.0
179.03494	4.9
188.03531	50.5
189.03874	1.1
203.03496	0.9
214.12195	0.6
325.09302	0.7
341.08771	13.5
417.67502	0.6
454.20819	0.5
530.25183	1.8
545.61377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69860	0.5
59.01368	1.4
59.02716	0.6
61.98824	2.3
69.33057	2.6
71.01382	10.9
73.04037	1.4
74.02466	2.7
78.95918	0.6
82.02947	2.8
84.00896	1.1
88.04039	8.0
95.02507	0.9
96.00928	0.9
96.96006	0.8
99.02000	0.7
100.04037	1.4
101.07198	3.8
109.04069	2.1
111.04377	0.8
112.86341	0.5
113.03582	0.9
115.00372	11.3
115.08752	3.3
116.07181	3.8
120.96703	0.6
124.04062	1.3
125.07166	1.3
126.09229	0.7
127.05137	11.5
128.03529	4.5
129.10347	6.9
130.08702	1.5
132.03035	9.1
133.02924	1.0
137.07204	14.7
139.08771	2.4
140.07164	2.1
141.06726	1.9
143.11887	1.6
145.06209	6.9
151.08762	1.0
152.07210	0.6
154.09862	10.1
155.08218	1.9
165.05443	2.3
165.07896	0.6
168.11536	0.8
169.09822	3.6
169.13423	0.8
172.10916	9.4
173.09239	2.4
179.08311	0.7
179.11913	8.0
180.10327	5.5
183.11423	0.8
184.07242	0.8
186.12460	2.4
187.10847	1.7
193.13405	0.8
195.11478	0.9
196.10971	0.6
197.12862	1.5
208.10854	1.9
209.09181	0.6
214.15607	2.6
219.11392	0.8
222.12485	21.5
222.14708	1.1
223.10843	4.6
223.12849	1.1
226.11951	1.8
236.14075	1.2
240.13528	16.7
242.18706	0.9
244.12822	0.9
254.15109	1.5
258.14575	4.4
265.13113	1.0
267.18250	5.9
285.19293	1.1
295.17706	1.8
297.15671	1.2
298.14041	1.8
314.00897	0.6
335.20807	1.7
353.21970	1.0
396.22498	7.6
397.20865	4.2
414.18085	0.9
414.23593	19.1
415.21921	26.9
416.22153	1.2
417.04050	0.8
424.25711	1.6
468.24512	1.7
486.26053	1.7
512.23621	14.5
512.62439	0.7
530.24609	100.0
531.24872	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	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06627	0.3
57.02173	0.3
69.18135	1.3
69.18547	0.5
78.95898	18.7
96.95998	1.4
98.21780	0.6
102.57233	0.3
109.57144	0.3
125.77925	0.3
152.99602	3.1
156.69168	0.3
168.04289	2.7
175.37808	0.3
190.82111	0.4
224.06920	8.9
224.16785	0.3
242.08096	1.5
244.26761	0.3
245.74059	0.3
255.23268	100.0
256.23691	3.4
408.28595	0.3
452.49606	0.4
480.30917	66.2
481.31436	2.8
530.29962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.9
58.01093	0.3
59.01379	5.4
61.98833	2.3
69.47559	1.4
71.01385	2.3
73.02945	1.2
82.95405	0.4
83.01361	0.4
85.02959	0.8
87.00877	1.5
89.02445	1.0
96.20113	0.3
99.04530	2.3
101.02412	2.4
113.02438	0.8
117.03465	28.4
118.03794	0.4
119.01411	0.3
119.03623	0.3
119.05026	7.3
121.02927	0.4
125.02427	1.3
131.17697	0.3
133.06581	1.0
135.04520	0.4
143.05046	0.4
145.02951	100.0
146.03290	2.1
147.04579	0.4
149.02467	2.2
154.11252	0.3
159.04488	1.0
161.04677	0.5
161.06081	1.0
163.03996	10.2
164.04759	3.5
175.00385	1.9
176.01134	0.4
177.05557	0.5
179.07167	0.9
180.05766	0.5
181.06583	0.6
187.03976	5.0
190.02692	4.9
191.03473	1.1
205.05043	8.3
206.05785	1.1
207.02977	0.5
208.03679	0.7
208.05429	0.4
209.06172	1.6
211.03954	0.5
221.08182	1.1
223.06157	4.6
224.03162	2.0
225.05605	1.0
235.06154	0.4
237.07700	0.4
247.06035	0.5
250.04878	0.5
253.05058	16.0
265.07120	4.2
271.06070	0.8
295.08255	1.6
307.08246	0.4
325.09280	2.9
353.08820	2.2
367.10284	11.9
368.10605	0.4
369.22964	0.4
385.11526	1.3
387.09296	0.6
387.20245	0.7
399.54596	0.4
429.21140	0.4
458.67657	0.3
471.12741	0.6
489.80936	0.3
531.14990	8.0
531.23389	0.5
531.30237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37614	0.1
52.36655	0.1
53.66418	0.1
57.03446	2.4
59.01378	3.7
60.67949	0.1
61.98835	1.1
66.08173	0.1
69.38354	0.4
69.38765	0.3
69.48645	0.1
71.01368	1.8
73.02940	1.1
75.00858	0.2
83.01377	0.2
85.02959	0.6
87.00867	0.2
89.02443	1.2
90.72609	0.2
95.31260	0.2
99.00887	0.2
99.04516	2.3
101.02433	2.0
113.02427	0.8
117.03465	28.2
118.03761	0.4
119.01425	0.2
119.03526	0.4
119.05022	7.3
121.02928	0.4
125.02466	1.2
131.05046	0.3
133.06567	0.5
143.03529	0.3
145.02951	100.0
146.03284	1.6
147.00861	0.2
147.04601	0.2
149.02449	2.7
150.03116	0.2
158.03702	0.2
159.04440	0.8
161.04550	0.4
161.06090	0.9
163.04008	9.5
164.04791	2.7
165.05428	0.3
173.02478	0.2
175.00359	1.4
176.01112	0.2
177.05573	0.6
179.05545	0.4
179.07137	0.8
180.99651	0.2
187.04002	4.6
189.01915	0.1
190.02715	5.4
191.03465	1.3
193.01468	0.3
205.05055	8.1
206.05759	1.1
207.03003	0.4
208.03627	0.8
209.04591	0.4
209.90414	0.2
221.08189	1.2
223.06111	4.2
235.06210	0.2
237.07686	0.2
247.06149	0.5
250.04825	0.4
251.03464	0.3
252.03926	0.2
265.07159	3.1
268.04004	0.2
295.08237	1.3
307.08212	0.4
311.56363	0.2
319.83899	0.2
325.09238	2.6
331.24890	0.2
353.08710	2.0
360.78952	0.2
367.10297	12.7
368.10730	0.4
369.18924	0.4
385.11389	1.1
387.20129	0.5
471.12726	0.4
531.15112	8.2
531.24109	0.5
532.15625	0.6
539.55127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81569	4.1
59.96303	4.1
61.14529	3.9
70.91066	5.8
70.91394	6.3
80.47782	4.5
120.54926	4.4
172.19405	5.1
197.64848	4.4
209.06075	13.0
225.05447	7.6
227.07332	5.3
236.07132	5.8
253.05069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20121	0.4
58.41649	0.4
61.98814	0.7
70.59087	0.6
78.95901	17.7
79.95736	2.4
96.96009	100.0
110.94492	0.4
148.64381	0.3
150.98070	0.5
152.75246	0.4
152.99588	18.4
171.00648	0.8
178.90585	0.6
193.89516	0.4
194.90025	4.1
194.93747	0.5
229.58505	0.4
249.92029	0.8
268.97522	1.0
279.23376	1.0
312.60208	0.4
433.23538	8.5
434.24063	0.6
531.16876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67963	0.3
62.04752	0.4
75.00864	0.4
78.95899	15.8
79.95726	2.5
81.31075	0.3
83.72706	0.4
96.96005	100.0
98.84081	0.4
150.97987	0.5
152.99582	20.3
168.52327	0.4
171.00647	0.8
194.90009	3.6
194.93707	0.8
221.15820	0.4
268.97354	0.8
282.30722	0.4
433.23578	5.8
531.16400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
57.03445	43.8
59.01075	5.0
59.01377	99.5
61.98834	21.5
70.41718	4.1
71.01379	47.0
71.20901	1.9
73.02947	39.5
73.49588	2.0
75.00888	3.7
81.03455	4.4
83.01393	9.8
85.02950	9.8
87.00877	8.0
87.04530	2.4
89.02436	38.9
95.01408	4.5
97.02930	16.0
97.30338	3.0
99.00910	3.7
99.04519	56.3
101.02441	70.6
106.59124	2.2
113.02453	16.2
113.06104	3.3
115.03998	4.2
117.03472	6.5
119.03489	17.8
119.05038	7.9
125.02441	22.9
128.03551	2.8
131.03482	4.0
143.03479	14.2
145.02962	9.8
161.02419	4.7
161.04565	100.0
161.05910	3.6
163.03978	10.5
169.53810	2.1
177.05557	2.2
179.05617	38.5
181.03044	2.2
184.98953	2.4
205.05087	5.8
207.13916	2.6
221.06647	6.1
225.05579	3.3
235.06113	6.5
253.05074	3.9
263.07681	19.6
265.07172	9.7
268.03595	2.3
283.06070	18.8
311.05624	34.8
326.02051	2.4
336.82007	2.3
341.06641	4.6
341.10785	3.5
367.10339	2.3
387.20239	9.1
413.08740	6.8
429.21167	4.8
431.09842	32.6
432.10187	2.3
515.78845	2.7
531.11096	2.4
531.13849	3.2
531.21857	34.4
531.30164	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	531.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	71.5
59.01380	100.0
60.82556	0.9
61.98821	1.0
63.56176	1.4
68.32470	1.0
69.37617	5.3
71.01378	16.7
71.70113	0.9
73.02966	4.9
81.03459	1.6
83.01392	2.5
85.02939	5.8
87.00851	1.5
89.02439	14.8
89.65725	1.1
95.20488	1.0
99.04520	90.1
100.04881	1.6
101.02448	26.8
113.02442	8.7
114.39851	1.1
119.03470	5.3
123.04464	1.8
125.02444	43.9
143.03510	4.6
161.04478	5.8
187.90042	1.2
223.13391	3.0
225.14867	2.9
246.47452	1.2
278.79654	1.2
285.11075	1.0
305.03497	1.0
325.02765	1.1
369.19162	13.7
387.20248	29.0
429.21255	14.0
469.24606	2.8
487.25394	2.2
531.24591	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	531.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	65.8
58.42933	3.8
58.57627	3.7
59.01110	6.0
59.01382	77.1
61.31401	4.3
61.98839	7.9
69.36990	6.0
69.37363	6.2
71.01384	23.7
73.02930	4.7
84.80847	3.7
85.02953	8.1
86.73423	4.0
89.02428	17.8
98.21882	7.6
99.04527	58.2
101.02436	44.6
113.02452	12.0
119.03488	11.4
125.02425	35.5
201.85629	3.5
225.14851	8.6
237.16499	3.9
269.89902	4.2
340.64569	4.2
369.19189	36.7
387.15475	6.3
387.20233	100.0
429.21057	23.2
468.30295	4.7
469.24390	7.8
531.24310	39.1
539.60156	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30997	1.2
57.03446	95.2
59.01377	94.8
60.30385	1.1
61.98821	2.5
67.38240	1.1
68.60608	1.4
69.03459	1.3
69.43975	2.2
69.44360	2.6
71.01376	26.6
73.02943	27.3
75.00874	1.8
81.03452	2.9
82.95422	8.8
83.01389	9.0
85.02966	7.4
87.82315	1.2
89.02441	17.3
95.01390	2.9
96.96004	6.5
97.06607	1.9
99.04515	100.0
101.02440	51.9
113.02442	17.7
113.06086	3.0
119.03484	9.2
123.04521	15.9
125.02449	39.5
127.82770	1.5
128.03500	3.2
130.08746	1.3
131.03519	4.0
141.05583	3.9
143.03485	6.5
149.04550	5.4
153.05557	2.2
161.04544	17.4
161.52490	1.2
162.70641	1.3
179.05640	3.6
209.57451	1.2
221.06613	4.4
265.04813	1.2
293.04456	1.6
325.07169	3.5
369.19162	7.3
383.15454	3.1
387.20331	8.7
429.21204	5.3
463.08719	1.5
487.25659	3.1
531.11560	3.9
531.24335	19.3
532.24500	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	531.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28025	2.0
53.63211	1.7
57.03452	2.6
59.01376	37.3
61.98823	7.4
71.01371	3.8
78.95927	2.1
89.02438	2.6
90.25953	2.0
95.76118	2.1
101.02422	2.8
111.08133	10.9
113.02441	3.6
127.07652	2.7
155.69186	1.9
162.33496	2.4
169.12228	2.1
197.11830	29.6
211.13358	4.1
247.20532	2.0
263.20352	2.5
291.19629	18.7
309.20709	100.0
310.20935	3.5
531.30847	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	532.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02384	0.2
59.01369	0.5
61.98830	100.0
62.86688	0.2
68.04807	0.2
69.09079	1.4
69.82938	0.2
71.01418	0.2
76.01219	0.2
98.22695	0.4
103.23840	0.2
111.46149	0.3
136.36705	0.2
137.24875	0.2
160.57123	0.2
208.95660	0.2
285.98331	0.3
293.18124	0.2
429.77548	0.2
469.28467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04534	1.4
57.03437	4.8
59.01384	15.1
61.98827	31.2
71.01378	6.7
71.47018	1.5
73.02937	2.7
85.02957	4.6
89.02428	3.4
97.06599	2.6
99.04510	5.2
100.04088	1.9
101.02432	6.3
105.78185	1.5
113.02471	1.5
125.02445	1.8
145.02917	5.2
161.04535	2.6
165.12842	1.7
171.10222	6.4
180.99644	1.9
183.13977	2.9
211.13387	11.4
221.11766	2.1
229.14433	10.2
279.43146	1.5
291.19638	1.5
307.01221	2.0
319.99548	1.8
327.21756	100.0
328.22104	2.1
390.09811	2.5
408.10794	2.1
423.09433	1.8
465.74249	1.6
533.29590	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	532.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.98832	11.7
69.23055	10.1
69.51114	2.0
78.95903	23.9
79.24168	1.9
83.77964	2.1
89.02451	3.4
101.02402	4.1
107.62875	2.3
152.99591	21.9
196.89503	29.9
197.89514	19.0
211.66663	2.0
235.08278	2.3
253.09256	12.9
253.21722	100.0
431.22180	4.9
532.14642	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	532.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89166	0.6
59.01365	3.6
61.98823	1.6
63.86522	0.7
69.16778	4.7
71.01376	1.6
73.02948	1.0
73.12206	0.7
74.35309	0.7
78.95895	2.6
79.86523	0.7
89.02436	1.3
91.32167	0.7
98.22610	1.7
101.02465	1.7
110.10493	0.9
113.02498	0.9
119.03505	1.1
133.05014	0.9
152.99535	1.3
159.13646	0.9
161.04568	1.1
179.05565	0.7
181.52202	0.7
196.89464	2.6
197.89520	1.1
235.08221	3.2
253.09302	13.2
253.21725	100.0
254.22067	2.4
255.23328	1.0
323.95908	0.7
489.30750	2.0
532.30157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12516	0.3
57.03170	0.4
57.03448	9.2
59.01381	12.1
60.01699	0.3
61.98813	0.4
64.35005	0.2
64.90851	0.3
69.09435	1.4
69.09850	0.6
71.01383	3.5
73.02938	1.4
74.02455	0.3
75.72701	0.3
79.01891	0.4
80.91686	3.7
81.03471	0.2
82.95418	0.5
83.01387	0.4
85.02956	0.7
87.28540	0.3
89.02441	2.2
91.05565	0.3
93.03448	1.1
95.01379	0.8
98.08052	0.2
98.22679	0.6
99.04515	9.3
101.02437	3.9
107.05022	0.3
111.04461	0.3
113.02436	1.3
117.03460	4.4
118.36095	0.3
119.03510	0.7
119.05007	1.0
123.04463	0.6
125.02454	3.7
127.02868	0.3
127.05103	0.4
128.03539	0.4
131.05055	0.3
133.02962	0.4
134.03723	0.3
135.04536	1.7
143.03455	0.8
145.02896	0.4
147.04440	0.5
149.02467	0.7
149.06058	0.4
150.03319	0.3
151.04031	0.5
159.04523	1.0
161.02437	2.8
161.04562	0.8
162.03189	0.3
163.03992	1.3
171.04504	0.3
173.02409	0.3
173.06102	0.5
175.03947	1.6
177.01917	0.8
177.05553	1.5
179.03545	0.4
180.10283	0.4
185.02461	0.4
187.03961	0.7
189.01967	0.4
189.05522	0.5
191.03510	1.5
197.06111	0.3
203.03458	1.6
205.05080	0.5
217.01370	0.3
217.05161	0.5
221.04616	0.4
223.07635	0.4
224.04889	0.3
224.08374	0.6
225.05591	0.3
225.09123	0.4
227.16428	0.3
233.04562	0.6
238.06279	0.4
239.07011	0.3
245.04555	0.6
251.07179	0.5
253.08690	0.8
267.06525	0.7
268.07419	1.0
279.06631	0.5
281.04501	1.3
281.85809	0.3
282.05270	2.2
283.06067	3.7
293.04556	0.5
293.08176	0.4
294.05331	0.6
295.06116	5.0
296.06870	4.0
297.07672	16.6
298.08023	0.7
307.06107	2.0
308.06927	0.3
309.07730	2.7
311.05643	3.6
319.05975	0.4
322.04575	0.4
323.05591	4.1
324.06293	1.3
325.07159	7.9
328.05856	2.1
335.05630	1.7
337.07153	3.7
341.06644	0.6
343.93146	0.3
351.05133	0.8
353.06647	32.0
354.07074	1.6
355.08041	1.4
356.05237	0.9
365.06635	6.2
366.06912	0.4
369.09924	0.3
371.20761	2.0
371.59216	0.3
379.08252	0.7
381.05780	0.4
383.07721	24.2
384.07886	1.0
389.21799	3.0
395.07648	3.5
397.09225	0.9
407.07684	1.5
413.08856	2.9
425.08835	1.7
431.23016	1.6
443.09805	12.6
444.10162	0.9
455.09854	1.2
467.10175	0.3
471.25647	0.4
473.10867	6.6
497.10904	0.3
515.11694	1.5
533.12988	100.0
533.26068	3.1
534.13232	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	533.13
Annotation	LLP3
Peak:m/z	Relative Intensity
56.00181	1.8
59.01360	5.4
61.07870	2.0
61.98825	3.4
68.61489	1.7
71.01341	2.4
77.83389	1.8
90.83313	2.4
95.88358	1.9
96.96001	3.4
117.03458	4.6
119.04984	2.5
124.20309	1.9
130.08829	1.8
135.04446	2.5
146.58069	1.9
161.04480	2.3
165.56906	2.0
203.03624	2.0
217.00270	2.2
280.92584	1.9
283.06125	2.9
295.06021	4.1
296.06934	2.4
297.07642	14.8
311.05719	3.2
323.05679	2.9
325.07135	4.8
328.05832	3.2
353.06674	27.6
365.06583	6.2
383.03201	3.1
383.07748	25.0
395.07474	2.9
407.07587	2.3
413.08643	3.9
425.08646	2.9
443.09491	10.9
473.10693	6.5
533.12958	100.0
534.12744	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	533.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25881	0.4
59.92180	0.3
61.70166	0.3
61.98831	0.5
65.83910	0.3
67.02250	0.3
69.46179	1.4
78.95902	25.4
86.89837	0.4
96.96016	3.3
96.96965	0.9
98.95596	3.9
98.96254	0.5
115.78964	0.4
116.92867	1.3
118.96998	0.4
152.99588	4.2
178.88435	9.6
179.89258	4.5
180.90025	7.9
196.89490	100.0
197.89449	2.0
234.91019	0.6
252.92300	0.4
390.82672	0.3
429.85233	0.5
433.23779	0.7
457.10626	0.3
498.38467	0.4
515.15234	0.7
524.20062	0.4
533.16150	10.6
534.16840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42878	0.4
61.98818	1.5
69.93751	1.5
70.21786	0.4
71.84007	0.4
78.95901	27.1
84.34019	0.4
96.96006	4.9
98.95589	5.3
98.96445	0.8
99.92587	0.6
102.20837	0.4
111.51733	0.5
116.92863	1.6
152.99557	3.8
178.88422	11.3
179.89262	3.5
180.89989	10.7
196.89473	100.0
197.89557	1.3
216.81940	0.5
234.91034	1.0
335.59183	0.5
433.23743	0.7
515.15259	0.6
533.16199	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.5
69.70425	4.8
80.91686	7.3
121.02983	2.2
122.42190	1.8
134.03746	3.6
145.02939	2.7
146.03725	1.9
149.06052	1.9
191.07169	1.7
207.08238	1.7
217.00342	2.5
221.05998	1.8
223.07709	3.7
235.07736	3.5
237.05661	1.9
239.07217	5.0
249.05550	3.8
251.07066	14.2
262.06360	2.3
263.07062	6.4
264.07776	3.7
265.08746	2.2
266.05624	2.3
267.06577	21.3
268.07022	1.7
279.06656	23.6
281.08038	2.8
282.08994	11.0
293.08215	2.0
294.05362	6.6
294.09006	9.7
295.06241	9.0
297.11337	9.8
307.06165	3.9
307.80826	1.6
308.07010	1.7
309.07666	9.7
310.08395	3.2
313.44705	1.9
321.08136	1.7
322.08279	8.9
323.05588	25.1
323.08987	2.5
326.07837	8.1
328.99103	1.7
338.07944	20.9
341.10254	68.1
346.17792	1.8
353.10278	100.0
354.10672	5.2
420.56729	1.8
459.85815	1.9
494.91269	1.9
497.24777	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.73613	0.8
57.03448	77.9
59.01381	100.0
60.01710	1.1
61.30420	0.9
61.98819	1.2
63.72224	0.8
67.53141	0.9
69.71725	3.2
71.01382	22.4
71.67627	0.8
73.02947	8.8
74.02466	3.6
76.35055	0.8
80.03059	0.9
81.03460	1.9
81.69477	1.0
82.06673	0.9
82.65234	0.8
82.95406	1.0
83.01388	2.3
85.02959	6.8
86.02412	0.9
87.00889	1.4
88.12292	0.9
89.02444	23.1
93.03468	1.4
95.01373	1.2
96.95994	1.2
98.22640	1.0
99.00883	1.0
99.04520	81.8
99.05582	2.4
101.02445	33.5
103.05074	1.0
105.01884	1.0
109.02949	1.9
113.02451	12.8
116.92870	3.0
117.03428	2.5
119.03524	7.5
125.02447	33.8
128.03555	7.9
130.08755	1.1
135.04544	1.9
143.03497	4.5
143.04614	8.5
159.03094	1.1
160.00705	2.1
161.02422	1.2
161.04568	5.5
167.04550	1.1
175.03926	1.5
177.03294	1.0
179.05630	3.6
210.08777	1.4
227.16537	1.5
244.47385	1.0
254.07880	1.3
260.49762	1.1
268.07388	1.4
272.08826	2.8
282.05505	1.0
283.06091	1.6
288.06525	1.4
295.06042	2.7
296.06796	1.7
297.07654	8.4
306.07635	19.3
307.05975	1.1
309.07742	2.3
311.05591	1.1
316.00128	1.0
323.05612	1.7
325.07132	3.5
327.08575	1.2
337.07101	1.5
353.06689	14.1
354.07059	1.1
365.06604	3.0
371.20673	13.2
372.21439	1.3
383.07751	10.6
384.08072	1.2
389.21820	27.2
395.06995	1.1
407.07797	1.1
413.08795	1.8
431.22989	11.7
443.10104	5.7
471.26096	2.8
473.11017	2.1
489.26859	1.8
533.12988	54.0
533.25616	17.0
534.13696	5.1
534.26508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01867	1.0
57.03448	100.0
58.03788	1.0
59.01380	97.9
61.98830	9.0
69.03456	1.1
69.48334	3.0
71.01382	31.3
73.01798	0.8
73.02945	29.5
74.02454	0.9
75.00878	1.7
79.05535	1.0
81.03452	3.4
83.01391	8.2
85.02950	6.5
87.00860	2.1
89.01930	1.6
89.02448	23.6
95.01380	1.8
97.02928	1.0
97.06603	1.4
99.00868	0.8
99.04519	96.5
100.04867	1.6
100.30923	0.9
101.02442	49.6
109.06504	0.8
111.04472	0.7
111.08159	1.4
113.02451	16.4
113.06082	1.8
117.03471	2.4
119.03497	8.1
119.04961	0.8
123.04519	7.7
125.02451	41.6
126.02739	1.1
131.03497	3.2
134.03740	1.2
141.05576	1.9
143.03506	10.0
145.02965	7.0
149.04564	5.2
153.09200	13.8
161.02405	2.5
161.04558	10.0
172.48723	0.9
173.10020	0.9
179.05603	4.6
187.07822	0.9
193.05049	9.2
201.07721	1.0
209.06134	7.0
209.15511	7.4
221.06647	2.2
263.30975	0.9
353.10117	1.5
371.11438	1.1
371.20581	10.4
371.24640	1.7
389.21783	15.1
431.22809	14.5
471.25998	3.3
489.27048	2.2
533.26202	34.7
534.26178	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05323	1.2
57.03447	53.8
59.01379	74.0
61.98831	2.2
69.54025	3.7
69.54441	1.6
71.01385	22.3
72.99280	1.2
73.02939	9.0
74.02465	1.7
75.00856	1.9
77.32439	1.2
78.91887	5.8
80.91682	100.0
81.03452	2.9
83.01390	3.6
85.02965	7.7
87.00903	1.9
87.05640	1.7
89.02449	19.9
96.95995	1.6
97.04131	1.4
99.00866	1.3
99.04517	65.6
100.04842	1.4
101.02440	26.7
109.02941	1.3
113.02440	15.4
117.03461	2.3
119.03489	6.9
119.04971	1.3
123.04510	1.5
125.02441	24.8
128.03508	1.4
130.08717	5.0
133.02939	2.1
135.04523	1.8
141.06761	1.4
143.03526	2.4
150.60646	1.5
153.35365	1.1
161.02473	1.5
161.04535	6.1
163.04002	1.4
176.68497	1.2
179.05626	3.9
189.95856	1.3
197.07541	1.3
199.18269	1.2
221.06628	2.6
227.16484	3.7
267.06479	1.6
279.48038	1.0
283.06033	1.5
295.06223	2.4
297.07611	7.6
309.07544	2.3
311.05582	2.3
323.05649	2.5
325.07166	3.2
327.05194	2.1
337.07233	1.6
353.06604	15.2
355.07962	1.7
365.06659	2.3
371.16678	2.0
371.20798	18.6
383.07654	13.6
389.21841	19.3
413.08658	2.5
413.24002	2.8
425.08545	1.3
429.08234	1.7
430.99411	1.1
431.22888	6.8
443.09692	5.9
471.26111	1.3
473.11227	2.9
495.71158	1.2
533.12970	37.5
533.25305	16.0
534.13629	3.3
534.23901	6.2
534.32782	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05323	1.2
57.03447	53.8
59.01379	74.0
61.98831	2.2
69.54025	3.7
69.54441	1.6
71.01385	22.3
72.99280	1.2
73.02939	9.0
74.02465	1.7
75.00856	1.9
77.32439	1.2
78.91887	5.8
80.91682	100.0
81.03452	2.9
83.01390	3.6
85.02965	7.7
87.00903	1.9
87.05640	1.7
89.02449	19.9
96.95995	1.6
97.04131	1.4
99.00866	1.3
99.04517	65.6
100.04842	1.4
101.02440	26.7
109.02941	1.3
113.02440	15.4
117.03461	2.3
119.03489	6.9
119.04971	1.3
123.04510	1.5
125.02441	24.8
128.03508	1.4
130.08717	5.0
133.02939	2.1
135.04523	1.8
141.06761	1.4
143.03526	2.4
150.60646	1.5
153.35365	1.1
161.02473	1.5
161.04535	6.1
163.04002	1.4
176.68497	1.2
179.05626	3.9
189.95856	1.3
197.07541	1.3
199.18269	1.2
221.06628	2.6
227.16484	3.7
267.06479	1.6
279.48038	1.0
283.06033	1.5
295.06223	2.4
297.07611	7.6
309.07544	2.3
311.05582	2.3
323.05649	2.5
325.07166	3.2
327.05194	2.1
337.07233	1.6
353.06604	15.2
355.07962	1.7
365.06659	2.3
371.16678	2.0
371.20798	18.6
383.07654	13.6
389.21841	19.3
413.08658	2.5
413.24002	2.8
425.08545	1.3
429.08234	1.7
430.99411	1.1
431.22888	6.8
443.09692	5.9
471.26111	1.3
473.11227	2.9
495.71158	1.2
533.12970	37.5
533.25305	16.0
534.13629	3.3
534.23901	6.2
534.32782	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	534.1613
Annotation	Davallioside A
Peak:m/z	Relative Intensity
57.03448	1.7
59.01373	2.5
69.03436	1.0
69.30815	1.8
69.31209	2.4
71.01379	2.5
72.39455	0.9
81.03449	12.9
83.01408	4.3
84.02168	1.3
89.02466	0.9
93.03493	1.1
95.05025	4.1
97.02949	4.8
99.04521	9.4
101.02457	1.4
101.54641	0.9
107.05087	1.1
108.02135	1.0
109.02969	8.7
110.06112	1.2
111.04527	2.1
123.04527	5.3
125.02450	34.4
128.03542	2.6
133.02960	21.6
134.06078	0.8
137.02426	3.3
138.03178	1.1
139.03987	2.6
140.10802	0.9
145.02934	1.6
147.04492	1.2
148.05347	1.1
149.02396	0.9
150.09253	4.5
151.03961	1.0
152.07155	2.6
154.79144	1.0
163.03993	2.9
164.04781	1.2
164.07005	0.9
164.10759	1.0
166.08679	1.4
167.03490	100.0
168.03864	1.2
168.10289	2.5
175.04099	1.2
177.01929	7.4
179.03461	1.7
191.03404	1.7
192.00684	0.9
192.10243	2.2
193.01398	3.3
194.08209	20.2
197.04552	18.4
205.01404	1.1
206.08177	2.8
207.02957	2.1
208.09796	3.4
209.04465	3.0
231.02940	1.9
235.02441	17.0
236.09273	36.1
248.09312	1.0
257.08240	1.1
262.07242	1.4
265.03543	5.3
266.10300	10.4
269.06610	3.3
270.86340	0.8
278.10379	1.6
285.11270	2.4
287.07693	9.9
304.08234	11.8
327.05054	1.8
334.09268	1.8
345.06137	67.9
346.06418	2.4
355.06821	1.7
356.13455	4.0
375.07178	12.6
414.11877	4.3
447.09399	2.0
465.10345	12.5
523.42212	1.0
534.16071	1.8
534.23132	2.1
535.14417	1.1
560.77002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.9
58.02977	4.3
58.03762	0.6
59.01379	13.1
61.98833	4.0
67.19547	0.5
69.27316	3.3
71.01383	5.0
72.99277	0.8
73.02912	1.9
74.02473	12.8
81.04558	1.1
82.02979	1.4
83.01375	1.2
84.04531	0.8
85.02945	1.0
86.02463	3.9
86.06088	0.8
86.98249	0.6
87.05621	2.8
88.04026	0.7
89.02457	3.3
90.00159	1.7
93.03436	0.8
96.95995	2.3
97.04067	1.3
98.52586	0.6
99.04537	4.8
99.05634	10.5
100.04861	1.4
101.02429	4.6
101.07179	2.2
102.02058	0.6
102.05626	1.3
108.04523	0.8
109.02963	0.6
109.04037	1.6
111.05631	1.0
112.04003	1.5
113.02405	1.5
116.01710	0.7
116.07148	0.9
116.92842	0.8
117.03484	1.3
118.03814	1.1
119.03473	1.3
123.05629	1.2
124.04039	0.8
124.07646	0.6
125.02416	2.1
125.03496	1.3
127.05116	2.6
128.03542	28.7
132.04550	4.8
134.06096	2.3
135.04588	0.7
135.05621	2.7
137.07162	0.6
141.06679	2.7
143.04619	44.5
145.06146	1.4
146.04573	3.8
149.07281	0.7
153.06721	3.3
155.08240	0.7
159.04480	0.6
160.00749	10.0
161.02463	1.2
161.04546	0.9
164.37378	0.6
166.09836	1.3
167.04573	2.8
167.08264	1.5
170.03352	0.8
171.04086	0.7
177.03438	2.9
179.04608	7.4
181.06142	1.0
185.05637	1.5
190.04953	0.7
191.03523	1.0
192.07745	1.1
197.05728	1.4
209.11786	1.0
210.08829	6.6
231.24106	0.6
234.00990	0.6
242.07858	0.8
254.07790	7.8
272.08865	17.9
279.11252	2.3
283.05942	0.7
284.06488	1.1
288.06519	6.9
295.05789	0.9
296.06583	2.3
297.07474	3.8
298.08066	5.2
306.07639	100.0
307.07849	1.4
308.06415	0.7
308.93668	0.6
310.29053	0.6
312.06088	1.5
323.10507	1.1
324.05933	1.2
325.07022	1.4
326.07523	2.4
329.06012	1.1
338.07510	0.8
353.06561	3.7
354.06967	12.1
366.06940	2.2
383.07520	2.9
384.07999	7.8
396.08258	0.6
414.08966	1.6
435.17981	1.0
444.10245	5.7
459.17758	2.0
474.11496	2.5
503.16763	11.7
516.12329	1.3
517.18469	1.0
534.13416	44.7
534.21240	4.0
534.27527	1.3
535.13306	2.1
549.46741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34044	0.9
58.29791	1.0
61.98829	2.0
67.49747	1.0
69.45898	0.9
73.09132	1.1
74.01299	0.8
78.95886	10.8
98.22623	2.3
116.36844	1.0
118.33850	0.9
123.37665	0.9
140.01213	3.4
152.99617	1.4
153.58739	1.0
196.03716	1.3
214.04866	4.3
253.21634	1.6
279.23273	100.0
280.20343	1.0
280.23538	2.2
337.19101	4.6
366.27222	2.5
367.57135	1.1
476.27783	35.9
477.28305	1.5
478.29410	1.6
534.23615	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	534.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.4
64.85477	1.2
70.91820	1.4
78.95900	24.0
130.55444	1.2
138.92140	1.5
140.01167	5.3
141.55415	1.2
152.99573	3.6
177.47710	1.3
186.95558	1.2
192.59047	1.2
196.03777	9.0
197.84825	1.1
214.04950	1.7
218.47006	1.2
253.98430	2.0
279.23279	100.0
280.23666	2.3
337.19092	1.3
366.27087	1.9
372.08304	1.3
375.77289	1.3
473.18210	1.4
476.27795	64.1
477.28363	1.8
534.23486	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11275	0.1
52.36946	0.1
52.42864	0.1
57.44095	0.1
61.56421	0.1
61.98828	100.0
63.67731	0.1
70.68684	0.3
72.04533	0.1
72.46185	0.1
77.17241	0.1
97.91390	0.1
133.22542	0.1
168.31990	0.1
465.61963	0.2
502.16354	0.2
534.33453	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95433	0.2
51.74155	0.2
56.20537	0.3
58.29419	0.2
61.98829	100.0
65.20481	0.3
69.64427	1.1
71.89644	0.3
82.78078	0.2
179.71306	0.3
190.30421	0.3
192.64958	0.3
241.36615	0.3
564.93427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.11784	0.3
70.66452	0.6
80.03820	0.3
94.33382	0.3
95.36588	0.3
136.56337	0.3
203.49001	0.3
248.60342	0.3
326.74722	0.3
526.81549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28672	0.5
53.96322	0.5
59.43703	0.5
61.98818	0.9
70.93531	1.2
72.58141	0.4
74.49401	0.5
77.71600	0.5
78.95905	20.6
80.00886	0.5
82.84088	0.5
83.55958	0.4
117.66095	0.5
122.00117	1.2
140.01198	5.7
152.99588	1.9
158.76129	0.5
162.07053	0.6
171.27834	0.4
196.03786	11.9
196.89488	0.8
198.87665	0.5
214.04849	1.6
234.36618	0.5
243.57410	0.5
255.23293	100.0
256.23590	3.0
260.91620	0.5
278.09879	0.5
342.74341	0.7
347.85254	0.5
452.27826	67.1
453.28204	3.3
534.27094	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	534.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01521	1.5
57.03436	4.9
59.01384	15.0
61.98830	25.4
66.84476	1.6
69.13231	1.6
71.01390	8.2
72.01695	1.8
73.02937	3.3
74.02481	5.3
75.24290	1.7
79.97861	1.7
80.93461	1.7
82.95398	3.4
85.02940	3.3
87.00848	2.9
89.02446	5.4
99.00875	3.2
99.04507	2.9
101.02419	4.8
113.02473	2.6
118.63081	1.8
119.50553	1.6
125.02467	2.5
183.13957	2.9
211.13348	19.0
229.14409	10.6
272.12375	1.7
329.23331	100.0
330.23746	3.8
490.26266	4.2
534.30286	12.9
535.31537	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
61.98839	7.3
61.99097	1.4
66.46103	1.5
69.20389	2.6
69.20790	6.2
71.01376	2.0
73.02943	1.7
78.95901	20.0
89.02448	3.0
96.96974	2.1
101.02431	2.0
152.99570	14.6
175.95255	1.3
178.88487	2.3
180.89992	1.9
196.89491	23.5
196.91228	2.5
197.89482	10.1
197.91275	1.9
201.67078	1.6
235.08321	2.4
253.09293	11.0
255.23286	100.0
256.23581	2.6
304.98611	1.6
433.23502	2.8
491.32166	2.0
508.30820	1.5
534.16260	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	534.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.98828	59.4
69.15771	16.6
78.95900	67.4
152.99588	42.9
177.55948	3.2
178.88403	10.2
180.89905	6.8
181.90028	6.7
196.89476	87.5
197.89499	43.3
197.91150	6.1
223.54240	2.4
224.45255	2.8
237.25043	3.3
247.86526	2.8
253.09279	11.9
255.23293	100.0
433.23373	14.4
534.16022	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01376	2.8
61.98825	1.9
63.98187	0.3
69.37104	1.5
71.01384	1.7
73.02939	0.4
75.00864	0.4
85.02937	0.6
88.98795	0.5
89.02418	1.1
93.03455	1.6
94.99373	0.3
95.07130	0.3
96.95988	0.7
99.04513	1.1
101.02436	0.9
108.02178	1.7
109.02953	28.3
113.02451	0.6
121.02959	16.9
123.04510	0.4
125.02444	0.6
127.05131	0.6
128.03522	0.9
129.01932	0.4
133.02975	1.4
135.04526	3.2
139.08708	0.4
143.04956	0.7
145.02905	0.9
146.03712	1.1
147.04494	1.1
148.05450	0.3
159.04506	2.6
161.02448	0.8
161.06053	4.0
169.06619	0.7
172.05283	1.5
173.06067	1.0
174.03140	0.8
175.03999	2.0
175.90143	0.3
180.05856	0.4
185.06079	0.8
187.04013	12.7
187.07542	1.5
188.04723	1.5
189.05484	0.6
193.05017	0.7
196.05281	1.1
197.06073	1.7
200.04842	0.5
201.05685	0.6
201.81276	0.3
207.06557	0.9
208.05251	0.6
209.06119	0.5
213.05563	1.3
214.06345	0.5
215.07106	1.7
219.06622	8.2
224.04742	0.7
225.05574	3.1
226.06335	9.1
227.06866	0.4
228.04424	0.4
233.28485	0.3
237.05548	0.7
238.06464	0.4
241.05095	2.7
242.04034	0.3
242.05838	12.1
243.06606	100.0
244.06953	1.8
251.07193	0.6
253.04979	0.6
254.05786	0.8
255.06573	2.4
256.07169	0.4
267.06604	0.6
268.07275	0.4
269.08124	2.5
279.06583	1.1
282.05505	0.4
285.11240	0.6
297.07669	16.7
298.07938	0.5
309.07916	0.4
311.09235	0.8
313.16583	0.4
325.10657	0.4
327.08646	1.8
329.10294	55.8
330.10748	2.0
343.11844	0.4
355.12000	1.0
373.09253	1.2
390.07120	0.4
534.25195	0.3
535.14441	0.6
535.25958	1.0
535.73773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81283	10.5
61.98829	26.1
69.17178	50.6
78.95908	19.1
93.42049	10.0
146.84392	9.2
152.99586	25.3
155.40509	8.8
177.12814	12.4
195.13890	38.5
221.11766	10.5
239.12930	9.8
253.21732	100.0
331.90320	9.7
369.97226	11.3
451.86694	11.1
463.47372	9.9
478.29236	48.5
515.63190	11.3
535.27612	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03448	82.8
59.01379	100.0
59.25996	0.8
61.98818	2.7
62.71091	0.8
71.01385	18.7
72.99300	1.2
73.02943	6.5
75.00861	1.9
81.03452	2.1
82.95420	1.6
83.01392	4.2
85.02962	9.9
87.00857	1.8
87.04526	0.9
89.02435	6.5
95.01402	1.0
98.21796	1.7
99.00872	2.2
99.04521	96.0
101.02449	32.7
113.02442	9.2
114.05604	1.1
119.03507	2.3
120.99689	1.5
125.02452	30.9
129.01961	1.2
143.03502	3.3
159.03017	1.7
161.02531	1.2
161.04536	3.4
179.05605	1.0
189.07014	2.3
214.94850	0.8
229.18073	2.2
324.22495	0.9
333.83755	0.9
335.17197	1.0
355.24579	0.9
373.22263	17.5
373.26428	1.0
391.23367	27.8
433.24469	6.5
473.27124	1.8
475.29419	1.0
491.20065	2.4
535.30750	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	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66408	1.2
55.01855	1.4
57.03450	73.4
59.01381	100.0
61.98825	11.8
64.10785	1.1
71.01385	24.8
72.99300	1.8
73.02950	9.5
75.00863	3.5
81.03414	1.6
81.23860	1.1
82.95400	5.4
83.01381	5.1
85.02953	13.0
85.09051	1.2
87.00882	2.5
89.02450	16.8
95.01397	1.1
96.96011	4.4
99.00854	3.1
99.04520	71.4
101.02448	35.5
113.02446	9.8
116.92842	2.2
119.03462	5.2
125.02451	23.7
129.10344	8.2
130.08708	1.3
143.03510	4.9
147.04462	1.6
161.04564	5.6
164.07146	1.8
179.05659	1.2
189.06677	6.4
229.18166	1.5
234.84052	1.1
259.01151	2.0
318.17978	1.4
355.24835	2.3
373.09326	1.8
373.17264	2.5
373.21918	14.5
373.25995	5.1
391.23373	28.6
433.24371	6.3
473.27286	1.5
491.27435	2.0
517.22198	1.4
535.25305	6.9
535.32288	44.3
536.31549	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	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69083	0.2
59.01375	0.3
59.85298	0.2
66.95917	2.2
69.17757	1.3
69.99511	0.2
80.91687	1.1
82.95412	100.0
83.02498	2.9
98.21896	0.5
110.01944	0.2
118.79605	0.3
119.72363	0.2
126.47519	0.2
227.07082	0.6
290.60034	0.2
329.13937	0.9
448.12332	0.2
451.32776	0.3
516.23431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67822	2.3
61.98835	4.6
62.42030	2.5
71.44786	2.3
78.91888	2.8
78.95907	21.3
94.06681	3.1
100.14560	2.5
152.99570	7.4
202.94073	2.7
207.72824	2.7
224.06931	7.9
253.21700	100.0
478.29361	81.3
479.29666	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	535.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	2.8
78.95905	9.5
98.21771	2.7
117.04179	1.3
136.13205	1.4
148.03258	1.4
152.99576	6.8
212.74640	1.4
238.38727	1.3
242.08047	4.1
242.63560	1.4
253.21724	100.0
254.22000	2.4
478.29361	47.0
543.09552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56686	1.6
61.98830	4.3
69.32357	6.8
72.15697	1.7
73.36211	1.8
78.95895	20.1
93.37147	1.6
112.36052	1.9
125.61629	1.8
152.99556	6.6
168.04347	2.8
176.43071	1.7
224.06960	8.0
239.20309	1.7
253.21724	100.0
254.22072	3.6
271.58411	1.7
279.23227	2.6
280.23587	4.2
289.62540	1.7
301.45291	1.9
477.28336	2.0
478.29382	79.9
479.29654	3.4
495.76291	1.7
535.31952	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	536.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.74937	1.0
71.01364	0.6
75.45633	0.6
110.07258	1.4
149.02477	1.6
150.03223	3.9
154.06244	2.1
165.05560	4.6
179.07138	0.9
195.06664	3.9
254.51411	0.6
311.98062	0.7
327.12457	1.3
357.13287	1.0
536.28412	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	536.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60627	0.2
61.98829	100.0
62.18575	0.2
63.13336	0.2
63.25397	0.2
70.06360	0.4
122.58842	0.2
136.35052	0.2
152.99483	0.2
191.80247	0.2
193.09607	0.2
372.43759	0.2
398.10233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99271	0.2
53.28186	0.2
53.93950	0.2
55.62100	0.2
58.46171	0.2
58.87822	0.2
59.01360	0.2
61.31702	0.2
61.98830	100.0
62.75415	0.2
66.78480	0.2
71.66891	0.2
78.95922	0.3
96.96093	0.2
171.00615	0.2
184.00105	0.2
284.42035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48986	0.2
61.98830	100.0
63.99252	0.3
69.62280	0.5
69.62660	0.4
92.38071	0.2
155.40515	0.2
197.24725	0.2
199.26532	0.2
352.95358	0.2
519.53613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93909	0.8
58.02980	1.0
59.01369	2.3
61.93711	0.9
61.98832	7.1
65.15364	1.0
66.25339	0.8
69.20058	0.8
69.33553	4.3
72.00906	0.9
73.04065	1.4
77.14494	0.8
81.04586	4.1
87.05641	4.0
91.95337	1.0
93.04588	10.3
94.99503	0.9
101.02458	0.9
108.05661	1.6
110.02485	2.4
110.07243	26.7
115.08773	2.8
118.04111	1.0
126.06733	2.4
129.06700	5.3
136.05220	1.5
137.03543	6.4
141.06685	2.3
144.07773	5.6
150.03247	1.4
150.09816	0.9
151.08807	2.6
153.72325	0.8
154.06226	53.3
155.06593	1.3
162.40128	1.1
164.04675	1.1
165.05524	1.5
168.07755	3.3
168.11432	1.7
181.70016	0.9
186.08855	4.1
186.12463	1.1
193.13506	1.6
209.14075	8.3
211.14561	3.0
228.17169	2.8
235.11981	1.0
239.15173	1.1
253.12988	1.1
281.16180	3.7
299.17294	1.7
322.22403	5.6
327.12393	2.0
379.24509	2.5
454.83554	1.2
536.28418	100.0
537.28607	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	537.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97253	0.8
54.77916	0.9
59.01378	15.8
60.99467	0.8
71.01378	11.3
71.41841	1.0
75.00880	2.4
76.48730	0.8
78.95901	36.5
85.02971	1.5
89.02442	15.9
96.95963	2.6
96.96960	100.0
101.02409	5.0
111.00905	1.2
113.02454	5.0
118.96636	1.5
119.03488	6.1
120.37767	0.8
121.66642	0.8
129.01961	1.8
131.03514	1.0
141.00452	1.1
143.03448	1.3
153.00374	1.0
156.98190	1.3
160.97670	1.1
161.04518	2.4
176.93578	1.7
179.05647	5.9
194.94795	8.6
195.05075	9.0
217.00237	1.8
228.04259	0.9
243.03651	2.1
248.94879	1.3
270.73654	0.8
296.96735	1.2
314.98083	0.9
341.10880	37.3
342.11191	1.7
439.08502	6.6
477.03708	2.4
537.05530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01374	8.1
60.99303	12.4
61.98817	2.5
65.00304	0.8
69.24825	1.9
69.25237	2.4
71.01385	5.8
73.02928	1.5
74.02456	0.8
74.99114	0.7
75.00848	0.9
83.01389	1.4
85.02930	2.3
87.00861	1.0
88.98804	74.2
89.02460	4.2
96.00882	1.0
97.02925	1.1
99.04533	1.4
101.02451	4.6
105.01972	0.7
105.03475	0.8
109.02968	1.8
113.02420	1.8
113.03583	2.0
119.03506	1.0
119.05058	0.9
121.02941	1.2
128.03548	1.5
129.30843	0.7
133.02942	9.1
135.04497	1.1
137.02452	0.9
143.03529	1.2
147.04547	1.9
149.02469	2.1
149.04495	0.7
151.04114	0.7
161.02454	0.8
161.04512	1.2
163.00388	1.5
163.04007	1.9
165.01956	2.2
175.03990	2.0
191.03500	2.7
201.01878	1.3
213.05597	1.6
236.89252	0.9
240.04214	1.1
253.05020	1.2
255.03003	0.7
255.06526	1.0
269.04633	1.7
284.03281	9.9
285.03970	6.9
297.04019	16.4
298.04816	8.1
299.05594	14.3
300.05960	1.0
309.03970	0.9
311.05557	2.0
325.03558	1.1
327.05087	100.0
328.05399	2.4
339.05142	2.3
341.06775	1.4
357.06131	31.1
357.12952	1.2
358.06403	0.8
366.31259	0.8
369.06128	3.8
375.15070	0.9
375.19788	1.1
393.06183	1.2
445.08704	0.7
447.09326	92.6
448.09711	3.0
536.34290	2.4
537.14716	0.7
537.24390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93941	1.1
57.03444	3.0
59.01381	16.5
60.01714	1.1
60.99303	14.4
61.98828	7.3
63.61275	1.0
69.81422	1.1
71.01378	7.8
72.99301	1.8
73.02946	3.4
73.04071	1.2
74.99099	1.1
75.00872	1.6
75.33195	1.0
81.03458	1.1
82.95427	2.7
83.05049	1.6
84.95111	3.8
85.02953	4.4
87.00877	2.6
88.98802	91.3
89.02436	5.1
96.96008	1.7
99.00865	1.5
99.04514	2.9
99.66087	1.0
101.02431	6.8
105.01926	1.6
107.01376	1.3
109.21207	1.2
113.02465	3.5
113.03558	1.1
116.92831	2.3
119.03504	1.9
121.03042	1.3
124.03694	1.0
125.02431	2.1
127.05161	1.3
128.03558	2.2
133.02980	2.7
141.75891	1.0
147.04604	1.1
148.88292	1.0
149.02411	1.4
149.04590	1.3
151.00366	2.9
161.04515	2.5
175.03993	1.2
227.11806	1.5
243.57773	1.2
255.11275	1.5
256.03751	1.1
261.12433	1.1
283.06088	2.4
283.60236	1.1
284.03271	34.6
285.04047	81.3
286.04349	2.5
311.05557	3.5
327.05066	1.9
331.12964	3.4
375.11838	1.3
375.20145	1.3
393.17258	1.7
425.55728	1.1
431.09955	4.3
447.09317	100.0
448.09491	2.4
536.35132	5.8
537.23358	3.7
537.33728	2.2
537.40814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Grandifloroside
Peak:m/z	Relative Intensity
53.44468	1.1
59.01355	2.7
61.98830	1.9
66.07298	1.1
66.82608	1.1
67.60912	1.2
70.43790	2.1
71.01373	2.6
82.06538	1.0
89.02449	3.2
92.92798	2.3
101.02453	1.2
105.03488	1.9
117.16273	1.2
133.02953	13.5
134.03760	9.0
135.04527	87.7
136.04834	1.7
136.49216	1.2
137.02452	2.6
146.03734	1.4
149.06027	2.4
150.03189	3.0
165.05649	2.5
177.01930	22.9
178.02687	6.2
179.03500	100.0
180.03862	1.4
195.06555	1.1
233.04536	3.4
283.84442	1.2
305.99796	1.2
327.08798	10.7
327.12195	1.8
339.08789	1.3
341.08710	15.6
357.09915	4.9
375.10898	10.2
446.68539	1.0
466.94019	1.2
477.23373	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44664	0.3
57.03448	51.2
58.03780	0.4
59.01377	17.1
61.98826	1.3
69.19066	1.5
71.01379	3.4
71.05029	0.3
73.02943	3.2
73.23611	0.3
75.00888	0.8
81.03454	1.0
82.95412	0.8
83.01382	0.9
84.66333	0.3
85.02956	2.9
87.00842	0.3
87.04514	26.4
89.02428	0.7
99.00857	0.5
99.04519	36.7
101.01787	0.6
101.02448	10.4
103.04010	100.0
104.04350	0.8
113.02435	0.9
125.02448	18.8
143.03476	1.7
161.04510	0.8
211.13286	1.0
229.14452	0.7
247.08176	0.4
289.09293	0.4
305.15912	1.2
307.17596	1.1
329.23322	6.7
349.18317	0.4
375.20135	0.6
375.27451	0.9
393.21365	1.9
435.22055	1.1
537.18707	0.3
537.25165	5.3
537.32727	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	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74770	0.2
55.01895	0.2
56.76866	0.2
57.03448	44.4
58.03783	0.2
59.01379	28.3
61.98832	1.6
71.01385	3.9
73.02950	1.7
75.00870	1.1
75.61072	0.2
81.03458	0.7
83.01395	1.0
85.02950	2.7
87.04480	0.2
89.02427	1.0
95.01403	0.4
97.02944	0.3
99.00886	0.5
99.04520	37.1
100.04854	0.6
101.02445	10.9
103.04011	100.0
104.04338	0.6
110.98252	0.2
113.02431	1.8
113.95958	0.2
117.03453	0.8
119.03526	0.3
119.05006	0.3
125.02447	19.0
126.02837	0.2
135.08214	0.2
143.03485	1.8
145.02943	3.5
145.12335	0.9
147.27179	0.2
159.02942	0.3
161.04530	1.7
163.03978	0.3
175.03906	0.2
187.03911	0.3
193.05063	0.2
289.16559	0.8
307.17578	1.4
337.09082	0.6
349.18594	0.9
375.19943	0.6
375.27380	0.3
376.28366	0.6
393.21494	1.1
435.22351	1.5
475.25229	0.3
477.17471	0.4
477.29886	0.2
493.25995	0.4
499.31091	0.2
501.14136	1.2
523.81250	0.2
537.25134	5.8
537.32288	2.5
538.25964	0.3
538.33405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03446	55.7
57.58614	1.5
59.01378	73.3
61.65231	1.8
61.98822	10.0
70.76122	2.0
71.01377	31.0
73.02940	11.5
75.00877	11.8
81.03429	1.6
83.01390	4.1
85.02946	13.3
87.04513	100.0
89.02454	9.7
99.00876	3.8
99.04518	59.4
101.02447	38.5
103.04021	4.4
113.02450	13.6
119.03510	4.2
125.02452	28.6
142.58012	1.6
143.03519	4.1
159.03001	2.1
161.04552	15.5
175.11626	1.7
175.53072	1.7
179.05443	1.8
203.45349	1.5
305.16138	2.8
315.18002	11.6
329.23129	1.6
375.27341	2.2
393.21320	9.9
398.72488	1.7
435.22244	5.5
474.83618	1.8
477.23541	44.6
478.23413	3.1
489.19034	3.6
515.42438	1.9
537.25250	7.6
537.32690	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	69.9
68.63268	1.0
69.67039	3.7
78.95906	23.4
82.95440	1.4
87.98816	1.0
91.59646	1.1
94.88772	1.0
95.54286	1.1
98.94991	1.0
104.97601	1.0
108.14971	1.0
120.99183	1.1
140.01222	6.3
152.99606	2.2
183.48399	1.1
196.03813	9.6
214.04884	2.3
255.23288	100.0
256.23535	5.2
340.20938	1.4
414.79544	1.2
452.27817	46.6
453.28085	2.2
480.30981	1.8
537.25616	27.3
538.26233	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	537.3278
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01866	0.5
57.03445	1.7
58.00583	0.3
59.01378	17.9
61.98829	2.9
63.08643	0.2
64.76508	0.2
66.78833	0.2
70.00681	0.4
71.01382	8.5
72.99295	0.8
73.02946	1.4
75.00859	0.2
79.17949	0.2
83.01382	1.0
85.02948	2.5
85.06475	0.2
87.00880	0.5
87.04496	0.7
88.98763	0.4
89.02447	4.8
95.01390	0.8
99.00872	0.4
99.04546	0.9
101.02444	6.0
109.93313	0.2
113.02465	2.6
116.92831	0.4
118.65146	0.2
119.03503	1.6
119.16714	0.2
120.99655	0.4
123.08136	0.2
125.02428	0.7
125.09735	0.2
129.02081	0.2
139.11310	0.4
157.12344	0.7
161.04587	0.4
169.12341	0.5
185.11859	1.0
205.04968	0.2
215.12848	0.8
265.44254	0.2
285.04071	1.4
311.22614	0.2
319.17972	0.2
327.25385	0.6
329.23358	1.2
339.25372	0.9
341.05133	0.2
355.25067	0.4
357.26453	11.1
358.26700	0.6
373.25906	0.6
375.27490	12.7
376.27802	0.6
392.17960	0.2
393.21307	0.8
435.22165	0.5
447.09232	0.8
475.22275	0.2
477.23315	0.5
519.31921	1.5
527.18250	0.2
537.32800	100.0
538.25153	0.3
538.33167	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	537.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
56.38534	0.1
57.03448	2.3
58.00587	0.4
59.01383	4.1
61.98828	8.6
62.06724	0.2
69.03445	0.3
71.01382	2.3
72.99300	0.2
73.02942	0.8
75.00874	0.2
75.07552	0.2
82.95408	0.7
83.01385	0.4
85.02952	1.1
87.00868	0.2
87.04507	1.3
89.02448	1.1
92.97475	0.2
95.01370	0.3
96.96069	0.2
97.06580	0.6
99.04512	0.7
101.02437	1.9
109.06604	0.5
111.08106	0.2
113.02447	0.9
113.09677	0.2
119.03535	0.3
121.20211	0.2
123.08171	0.9
125.02460	0.2
135.04498	0.2
135.08167	0.5
137.09679	0.2
138.06906	0.3
139.11279	0.7
141.09218	0.5
141.12837	0.5
143.03534	0.2
151.11316	0.2
153.09198	0.9
157.12364	1.6
161.04576	0.7
169.12350	1.2
171.13876	0.3
179.05666	0.2
179.10931	0.2
181.12395	0.3
185.11841	2.4
187.13361	0.2
199.13387	0.3
215.12933	1.1
218.50412	0.2
229.14442	0.2
229.18079	0.2
251.20190	0.2
290.21368	0.4
293.21313	0.3
309.24539	0.2
311.22357	0.3
314.74332	0.2
325.23886	0.3
327.21860	0.4
327.25519	0.6
329.23346	2.3
332.22388	0.3
339.25320	0.7
355.24896	0.2
357.26462	7.2
373.25952	2.1
375.27493	100.0
376.27859	3.9
387.27466	0.3
389.29037	2.3
417.28549	1.8
537.32855	5.4
538.33472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23298	0.3
55.01875	0.6
56.11385	0.4
57.03447	3.3
57.80688	0.3
58.31659	0.3
59.01377	28.3
59.18983	0.4
61.98825	5.6
66.46512	0.4
69.17572	2.3
69.17902	0.6
71.01381	11.0
72.99277	0.9
73.02948	1.7
81.03440	0.4
83.01390	1.1
85.02953	4.2
87.00877	1.4
87.04515	1.7
89.01933	0.6
89.02444	8.6
95.01366	0.9
99.00880	0.5
99.04531	2.0
101.02441	8.0
113.02456	3.5
119.03477	2.4
125.02449	1.4
127.11282	0.4
130.08775	0.8
139.01239	0.4
139.07631	0.4
139.11272	0.5
157.12363	0.8
161.04523	1.0
169.12387	0.5
183.04434	0.7
185.11845	1.2
215.12856	0.9
287.22260	0.7
301.20306	0.6
327.25443	1.7
329.23392	0.6
339.25473	1.4
340.21304	1.0
355.24951	0.9
357.26443	19.7
358.26910	0.6
375.27493	15.7
376.27936	0.6
418.23718	0.5
445.24701	0.9
447.02338	0.4
449.27698	1.1
461.27643	0.4
463.25388	0.9
519.32050	1.0
537.32880	100.0
538.33398	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	537.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	2.0
71.46696	0.8
78.95902	7.2
96.96030	4.6
96.96973	1.9
100.17403	0.7
113.79375	0.8
115.66587	0.6
136.60146	0.7
152.99612	3.3
168.04303	1.5
171.10233	2.2
172.02646	0.6
181.85368	0.8
224.06995	0.8
242.07901	2.3
255.23280	100.0
256.23779	2.2
393.48422	0.8
480.30948	41.2
481.31262	2.0
537.33679	3.5
546.55902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30433	1.2
61.98816	1.4
70.46665	1.4
71.28104	1.8
73.95993	1.2
78.95905	17.0
109.20250	1.3
127.97430	1.3
135.61638	1.2
152.99570	6.0
162.47853	1.4
168.04323	3.0
168.59160	1.3
171.10258	10.4
224.06935	9.4
242.07961	2.3
255.23279	100.0
256.23596	3.1
309.20630	4.5
410.53000	1.5
421.85507	1.4
456.20880	1.4
471.86337	1.7
480.30945	82.7
481.31580	3.2
537.33411	2.9
549.48816	1.6
564.61914	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	538.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13066	1.8
57.03452	7.7
59.01377	54.2
61.98828	100.0
66.70164	1.9
69.03483	2.3
71.01379	43.0
71.45699	2.3
73.02950	35.7
81.03445	2.0
82.95418	2.6
83.01372	10.1
85.02948	9.2
86.78359	1.8
87.00879	4.3
87.04551	2.1
87.36533	1.6
89.02435	26.7
95.01435	2.4
97.02946	21.3
99.04533	4.2
101.02440	55.9
113.02449	11.1
115.04034	3.4
116.92868	4.4
119.03521	9.2
125.02478	2.3
131.03499	2.9
143.03482	12.0
161.04556	59.8
179.05623	20.6
221.06624	2.1
263.07678	6.8
270.34293	1.9
316.25739	2.1
358.26913	2.6
362.99658	1.8
375.27591	2.6
376.27780	7.6
537.32751	11.3
538.33295	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98829	100.0
69.51884	1.4
155.30428	0.3
265.70981	0.4
271.85483	0.4
479.84610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09361	0.4
56.31960	0.4
57.87492	0.4
58.89905	0.4
59.01356	0.9
69.05729	2.8
71.47584	0.4
84.95128	2.7
85.00434	5.7
86.00751	0.5
87.00875	100.0
88.00396	1.2
88.01201	0.5
90.61309	0.4
136.87132	0.4
171.07022	0.4
374.99026	0.5
426.68365	0.4
487.63519	0.4
535.53680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86110	1.1
57.03451	25.4
59.01377	27.7
61.98831	100.0
70.42758	1.2
71.01378	9.2
71.44295	1.2
71.44719	1.4
73.02930	6.8
74.99658	1.1
81.03445	2.0
83.01382	4.1
85.02931	2.8
89.02416	3.8
99.04520	28.1
101.02439	18.0
113.02466	5.7
119.03508	2.9
122.74095	1.2
123.04508	5.9
125.02446	14.2
131.03473	1.4
141.05544	1.4
143.03513	3.0
149.04553	3.2
155.03540	1.3
161.04541	6.9
168.91052	1.5
171.10051	1.3
179.05612	2.8
221.06613	1.7
381.92624	1.2
432.15598	1.5
458.51840	1.1
474.55991	1.2
477.23203	10.4
540.35278	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	540.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53976	0.5
57.03445	3.4
59.01379	3.7
60.36742	0.6
61.98829	100.0
69.30259	2.6
70.48054	0.6
71.01392	2.0
73.02954	0.8
85.02959	0.8
99.04530	3.6
101.02448	2.6
106.90608	0.5
113.02468	0.6
125.02476	1.4
128.03531	0.6
161.04652	0.6
163.54878	0.5
165.86096	0.6
229.14073	0.6
230.86502	0.6
233.15527	1.1
234.15901	1.7
540.27722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81353	0.4
52.14619	0.4
55.01881	0.5
57.03447	21.5
59.01377	20.0
59.71227	0.4
61.83501	0.5
61.98829	100.0
69.25507	2.7
71.01377	5.7
73.02946	9.6
74.18700	0.4
75.94735	0.4
77.68695	0.4
78.95915	0.4
79.05549	0.5
81.03458	0.8
82.63186	0.4
83.01397	2.8
83.63274	0.5
84.14879	0.4
85.02968	1.2
89.02438	3.6
95.01418	0.6
95.05013	0.4
99.04516	26.8
101.02443	16.6
113.02448	5.9
113.06068	0.9
114.14465	0.5
114.15283	0.5
115.08788	0.5
119.03480	2.5
123.04536	6.4
125.02454	13.5
131.03529	1.2
141.05614	1.1
143.03528	3.3
149.04575	2.7
153.05640	0.9
154.09909	0.7
157.09882	0.5
161.04547	6.0
172.10942	1.3
173.11230	0.6
179.05608	1.4
221.06750	2.3
323.09985	0.6
433.24463	0.8
477.23392	10.9
510.24551	1.6
540.26251	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	541.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08666	0.7
59.01357	2.4
66.77859	0.7
69.11919	4.0
69.12320	1.5
71.01386	0.8
72.65179	0.8
89.02457	1.2
92.92754	1.0
96.95994	0.8
100.42831	0.8
101.02457	1.1
108.02161	1.6
121.02948	1.5
122.03703	1.3
123.04497	1.7
135.04521	2.2
136.00580	1.3
136.01657	25.7
137.02438	14.5
151.04004	38.3
159.04393	0.9
160.05276	1.9
161.06042	1.0
162.10655	0.7
163.04012	1.6
166.20222	0.8
171.04514	0.8
177.05510	1.0
188.04398	1.0
189.05635	0.8
191.07021	1.3
218.55908	0.8
282.09180	1.0
283.09781	2.2
297.11041	1.0
325.10693	2.4
343.11838	100.0
344.12061	4.2
378.26599	1.1
379.26718	1.3
505.17178	27.0
506.17300	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	541.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.9
59.01379	73.8
60.23420	2.2
61.63517	2.2
61.98820	4.7
69.28371	10.5
71.01379	47.3
72.99319	2.9
73.02946	14.5
73.04092	2.1
74.02481	2.6
75.00889	2.2
83.83331	2.0
85.02976	10.0
89.02445	100.0
91.59162	2.4
96.96012	7.3
99.00887	18.4
101.02445	48.3
113.02458	11.7
114.05607	3.1
115.08777	2.0
119.03492	6.9
125.02471	4.5
127.05164	3.1
130.08791	2.5
131.03485	18.9
131.10596	2.0
143.03484	4.5
144.97902	2.6
149.04552	74.9
150.03203	2.4
155.10812	3.3
161.04558	6.8
165.05440	2.4
179.05640	12.9
191.05612	17.1
217.10793	2.9
221.06714	9.9
227.14012	3.8
243.06636	9.5
246.84038	2.0
251.07805	5.4
275.07623	2.2
293.08817	4.5
311.09912	4.4
331.11832	2.2
481.23035	10.1
497.27347	2.3
512.27161	2.4
541.22644	4.2
541.29993	7.7
541.37311	3.7
542.28241	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	541.3157
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.03436	28.5
58.78658	8.7
59.01393	44.5
61.98822	25.8
62.27428	8.4
71.01357	10.7
73.02931	13.7
85.02985	9.6
96.95973	11.6
99.04499	27.3
101.02454	13.0
101.24860	9.8
121.02942	19.5
123.42516	8.5
125.02441	10.5
152.18030	8.4
191.03467	14.0
313.27829	10.3
341.23450	13.3
368.24243	10.8
397.21909	10.5
505.33823	39.6
541.19818	17.7
541.31372	100.0
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
59.01339	0.5
60.99305	13.9
62.18061	0.4
69.13311	0.8
69.13707	2.0
71.08822	0.5
74.68662	0.4
81.12809	0.4
82.84221	0.4
87.00871	5.1
88.00385	1.7
88.01217	0.6
88.35534	0.4
88.98807	100.0
89.02442	67.8
89.99169	0.6
90.02788	0.4
94.56426	0.4
126.44159	0.5
246.82149	0.4
439.79819	0.5
451.32605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	27.9
61.90575	11.5
63.20681	10.1
71.39907	14.9
87.13254	13.7
101.17574	11.1
103.00364	100.0
104.58528	11.1
108.48760	11.4
118.29813	10.7
119.31351	11.1
141.55437	12.8
180.80453	11.7
219.04396	11.6
255.39760	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	542.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	3.8
61.98835	8.1
68.92142	1.2
69.28336	7.4
73.04068	9.7
74.02464	6.3
80.05019	1.8
97.04081	3.1
98.22625	3.1
99.05630	2.8
104.03586	1.6
111.58157	1.3
112.07604	1.3
114.05624	8.0
115.05134	21.3
115.57950	1.3
125.07183	2.5
126.05605	3.3
127.08768	9.8
129.10326	1.6
139.08778	24.0
141.10300	2.7
153.06656	1.6
155.08212	1.6
157.09758	2.8
171.07744	39.4
183.11398	1.4
186.12357	1.6
195.11377	3.8
201.08784	7.3
210.12431	4.1
211.14410	2.6
228.13528	4.4
252.03267	1.3
266.18835	1.9
450.27164	3.0
455.25049	2.3
482.26065	8.4
494.26193	1.8
512.27264	14.0
524.27118	4.0
542.28290	100.0
543.28595	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36426	0.8
59.01378	100.0
61.98817	3.4
69.05008	0.8
69.43087	2.2
69.43484	1.8
71.01371	3.3
88.04023	1.3
88.75204	0.8
89.02444	3.1
95.04993	1.0
96.00935	1.0
96.95973	1.7
98.21852	1.7
101.02434	2.0
105.03466	1.9
113.02464	1.8
115.00325	0.9
119.03490	1.3
119.05046	0.8
127.05159	1.1
128.03546	1.7
129.10344	1.2
130.08667	0.9
133.02969	9.3
141.01698	69.6
161.02425	1.1
171.94629	0.9
177.01949	5.8
179.03545	0.7
179.05476	1.3
179.10754	1.0
219.16713	0.8
221.11684	1.0
221.99693	1.0
259.94724	0.9
347.12723	0.9
401.18152	3.0
423.15756	5.3
483.17923	4.0
541.00476	0.9
543.27191	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	543.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65731	2.0
57.03449	57.6
59.01377	100.0
61.98821	2.4
69.27805	8.6
69.28204	4.0
71.01381	31.3
73.02945	50.6
81.03459	4.3
83.01381	13.1
85.02956	9.0
89.02441	33.4
89.30824	1.9
95.01407	3.1
99.04519	50.9
101.02439	56.6
113.02460	22.9
113.06080	3.3
119.03526	15.8
123.04535	16.9
123.37420	1.9
125.02442	41.0
131.03496	4.9
135.08235	1.9
141.05498	2.5
143.03477	8.1
149.04559	6.2
161.04555	18.5
161.06073	12.3
175.11288	3.6
177.09216	2.9
179.05640	16.3
204.07857	4.2
205.03458	2.0
219.10277	13.0
221.06561	2.3
257.96573	2.3
263.07883	2.0
381.15640	2.2
387.39276	2.2
399.16727	9.5
441.17480	5.2
543.20801	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
57.03446	78.6
59.01376	100.0
61.98844	2.6
69.79890	4.3
69.80216	2.6
71.01378	43.8
73.02943	56.4
75.00867	3.2
75.05325	1.7
77.30152	1.9
79.05514	2.4
79.58746	1.7
80.96511	4.2
81.03465	3.3
81.59499	2.0
83.01366	13.0
85.02956	9.3
87.00891	3.2
89.02442	38.8
93.03442	2.0
95.01434	2.9
97.06572	3.5
98.22644	3.9
99.04514	57.6
101.02437	71.3
101.52711	1.8
107.05044	2.5
109.06608	2.2
113.02437	22.2
113.06078	4.8
119.03488	23.7
123.04537	14.9
125.02441	40.6
128.03522	2.5
129.01848	2.3
131.03511	3.1
135.08167	2.9
141.05588	3.7
143.03539	9.9
143.04462	1.9
149.04558	4.8
153.05618	2.7
159.08130	2.5
161.04552	18.2
161.06058	13.6
161.09720	6.9
175.11308	11.6
177.09206	16.9
179.05556	11.4
179.10785	2.6
189.05566	2.2
191.10818	3.1
194.30051	2.3
201.09181	21.2
204.07957	14.6
217.38083	1.9
219.10252	50.9
221.06621	2.7
237.11337	5.4
377.02081	1.9
381.15463	12.3
399.16583	40.8
423.16614	3.8
441.17709	15.9
481.20801	3.4
482.21805	2.5
543.21033	28.1
543.28210	2.6
544.20673	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	543.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96856	1.5
57.03447	76.0
59.01379	100.0
61.98822	3.8
69.03436	2.5
69.57233	3.6
71.01380	45.1
73.02946	49.1
75.00872	3.2
78.98574	1.9
79.05524	2.7
79.95753	3.0
80.96522	13.7
81.03442	4.8
83.01386	15.3
85.02943	14.1
87.00853	8.4
89.02446	35.4
94.98090	3.7
95.01398	3.4
96.00905	1.5
96.95994	2.3
97.02946	3.5
97.06569	2.8
99.00899	2.1
99.04518	48.9
101.01785	3.5
101.02445	69.8
105.45452	1.5
108.49284	1.4
113.02451	18.5
113.06073	2.9
119.03490	16.3
123.04542	13.4
125.02456	40.3
125.06069	4.0
128.03519	3.3
131.03528	2.7
135.08130	2.5
137.02377	2.4
137.06065	5.8
139.04016	7.9
143.03497	7.1
149.04524	4.9
149.09674	3.8
151.07654	3.3
153.05559	1.8
153.09033	1.9
156.21474	1.5
159.08133	5.5
161.04558	14.1
161.05780	2.6
161.09647	1.9
164.98596	4.3
175.11273	39.4
177.09253	11.4
179.05641	7.9
179.10692	3.4
181.08673	4.7
185.06064	5.3
186.06918	8.5
189.05641	2.3
191.10736	4.6
201.09215	49.9
203.05495	1.9
203.07219	2.7
203.10664	2.2
204.07904	11.7
207.10242	5.9
219.10254	67.4
220.10535	1.9
221.06598	2.1
225.00621	2.9
237.11301	19.3
261.11255	1.8
290.07074	2.1
363.14276	2.1
381.15488	11.5
382.22348	1.5
399.16589	92.7
400.16647	2.2
423.16843	3.4
441.17593	34.3
442.18307	2.4
481.20670	7.1
543.21094	60.2
544.19763	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	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	69.0
59.01380	100.0
61.98831	11.2
68.21547	1.2
69.07153	1.2
69.19952	3.1
69.20355	5.8
71.01383	19.8
73.02953	11.0
78.91879	1.9
80.96522	2.5
83.01397	5.4
85.02960	8.1
87.00853	1.6
89.02432	3.5
95.01398	1.8
96.96008	2.5
98.22675	2.3
99.00879	4.4
99.04520	82.6
100.93386	1.3
101.02441	36.4
113.02445	9.2
114.05634	1.7
125.02444	34.4
129.01953	1.7
130.08771	3.0
135.08174	1.3
143.03481	3.1
151.07704	1.6
159.02985	2.0
160.84982	1.4
161.02335	1.6
161.04579	9.6
178.28210	1.5
289.03671	1.4
295.96149	1.5
307.46994	1.4
360.36938	1.4
399.19583	2.3
399.23999	20.3
420.20490	1.3
441.24994	7.3
543.28192	18.0
543.35266	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94303	0.9
54.92974	1.0
57.03173	1.0
57.03448	22.9
59.01383	24.5
61.98820	4.2
62.37170	0.9
65.59207	1.1
69.44247	4.7
71.01370	4.3
71.05022	4.7
73.02927	2.7
81.05544	0.9
83.01390	1.1
83.05003	1.7
85.02943	2.3
87.89120	0.9
89.02428	2.5
96.03334	0.9
97.02951	4.9
97.06586	4.8
99.00269	1.6
99.00886	29.0
99.03908	1.5
99.04523	22.7
101.02443	8.7
101.38249	1.0
109.06576	1.7
110.03726	2.4
113.02465	2.2
114.43124	0.9
123.08089	1.3
125.02469	6.7
125.09713	11.2
135.08179	1.4
136.05307	1.2
143.03450	1.5
161.04565	1.6
163.11305	10.4
179.10765	1.1
181.12337	21.1
199.13411	13.8
207.08250	2.0
207.10252	42.9
214.52594	0.9
218.01950	1.1
225.11319	63.0
226.11720	1.5
240.70830	0.9
243.12363	59.3
244.12712	1.2
289.18295	1.2
299.14847	1.4
309.20587	1.4
317.12497	1.8
317.16055	32.3
321.49585	0.9
399.23969	3.2
525.26642	2.2
543.28040	100.0
544.28107	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.5
59.01362	6.5
61.98822	3.5
64.77446	1.4
69.12790	7.2
69.13193	3.4
71.01364	2.3
71.05022	3.0
84.41815	1.4
90.39863	1.6
93.24754	1.6
97.02935	4.7
97.06603	2.5
98.21902	4.0
99.00875	29.8
99.04537	1.6
113.02477	1.4
123.08130	2.5
125.02390	1.7
125.09699	9.1
137.12497	1.4
145.55850	1.5
163.11237	8.3
181.12317	16.4
199.13397	10.7
207.10242	33.6
225.11327	60.0
226.11790	1.7
237.22667	1.4
243.09962	3.0
243.12354	46.0
307.60599	1.5
317.16077	20.5
357.66531	1.7
430.88382	1.6
525.27136	2.9
543.28070	100.0
544.28528	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	543.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.29541	1.5
69.23090	8.8
75.00870	2.1
78.95894	8.7
91.18094	1.5
98.21861	3.6
103.00386	3.5
103.01493	82.3
103.58942	1.3
103.73374	1.6
137.60049	1.6
138.99271	1.7
152.99591	3.4
219.77155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88154	1.0
59.01379	1.1
71.42677	1.5
78.95899	2.5
83.06161	1.3
88.04086	2.1
96.95987	5.0
96.96954	2.1
114.05624	3.7
114.35248	1.0
131.08264	100.0
150.05231	1.8
154.01169	2.1
156.07785	9.7
165.47409	1.1
173.10432	52.2
185.00525	3.4
188.15186	1.0
196.05768	49.6
197.05858	2.1
201.12399	6.1
207.35141	1.1
212.03464	1.8
216.31500	1.1
220.06940	1.6
244.07877	1.7
254.04642	1.7
293.11032	1.2
303.15265	1.6
310.13715	30.3
311.13956	2.0
318.10486	2.3
327.16275	5.1
335.13110	11.9
344.29373	1.0
352.15894	19.0
362.66360	1.0
369.18518	77.4
370.18713	4.9
543.29694	19.4
544.29498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3306
Annotation	Luvungin F
Peak:m/z	Relative Intensity
55.69118	3.3
57.03443	16.1
59.01386	25.1
61.98822	19.9
69.16512	22.7
71.01379	4.6
76.71883	2.8
81.85568	3.1
95.25710	3.1
99.04521	22.2
101.02452	5.6
109.72890	3.8
125.02431	6.1
126.38609	2.8
130.63484	3.5
137.09795	3.0
201.69518	3.3
246.04755	3.8
268.79959	3.1
307.19089	4.0
382.23135	3.5
393.81854	3.4
507.35117	13.7
543.33215	100.0
544.33453	8.4
553.57123	3.4
557.23553	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	543.3307
Annotation	Luvungin F
Peak:m/z	Relative Intensity
54.06753	2.9
57.03453	21.7
59.01380	38.1
61.98830	39.1
69.43469	13.8
71.01385	12.2
73.02936	7.7
79.43134	3.1
82.95415	8.7
87.00887	4.2
89.02439	4.8
97.72045	3.5
99.04522	25.5
100.71862	3.5
101.02472	10.1
113.02445	5.7
115.50491	4.0
125.02409	8.4
130.08719	5.9
134.53004	3.0
139.38367	3.6
161.04576	5.5
196.91214	3.1
235.91232	3.1
246.62589	3.8
266.51398	3.6
268.28732	3.3
345.22653	12.1
507.35483	6.0
543.33148	100.0
544.32874	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	544.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31340	0.7
57.03446	0.9
59.01364	2.5
61.98830	0.9
69.66158	2.0
69.66503	1.4
71.01363	1.1
74.02460	2.9
82.02983	1.1
84.04537	2.5
99.04473	1.3
100.04063	1.1
101.02405	0.9
101.07191	3.2
102.05605	13.2
106.75976	0.8
109.04085	0.9
111.05682	0.9
112.04020	1.0
115.08772	1.3
116.07169	4.0
123.03209	0.9
125.02399	0.8
125.07222	0.8
126.09292	1.0
127.05141	8.6
127.08760	1.4
128.03535	29.3
129.10335	7.0
130.08746	0.8
137.07210	2.7
139.08704	0.7
140.06046	0.7
140.07152	1.1
141.06709	1.7
141.10335	1.0
145.06186	7.2
146.04611	8.7
154.09821	0.7
155.08261	3.0
157.13448	3.8
165.05424	2.1
169.09874	1.2
172.10899	0.9
173.09288	3.1
179.11903	7.3
180.10262	3.4
183.11337	2.4
187.10823	0.9
197.12895	1.7
201.12419	2.6
214.15665	2.4
222.12459	9.7
223.10847	3.3
224.17621	1.8
236.13994	1.1
240.13548	6.2
252.16887	0.8
254.15033	1.4
255.46480	0.9
258.14606	7.4
266.11172	0.8
286.17844	1.3
298.14063	2.2
316.15268	1.3
335.20874	0.9
353.21826	2.4
397.20926	8.3
415.21951	22.3
416.22202	1.1
519.75519	0.8
526.25232	11.5
527.25208	1.2
544.26196	100.0
545.26819	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	544.268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	36.5
68.97087	7.8
70.85278	8.8
71.41589	9.7
85.91549	9.2
97.76624	9.1
117.03463	11.2
119.08536	8.1
121.10860	10.6
138.75110	9.7
166.10611	9.8
171.51605	8.1
176.86343	8.1
307.06110	9.2
335.05652	18.4
346.23822	36.6
365.06693	11.1
402.02246	9.5
425.08774	100.0
493.38068	10.7
544.26666	32.8
545.12964	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01374	2.9
61.98825	1.8
69.60867	3.1
69.99747	0.8
70.68186	0.7
71.01361	1.4
81.04234	0.8
89.02473	0.7
89.03957	1.6
99.04534	1.6
101.02422	1.8
105.03451	3.9
117.03464	4.2
117.31113	0.7
119.05000	0.8
121.02987	1.0
133.02942	9.9
135.04533	1.0
147.04504	1.0
149.02438	3.2
159.04410	0.9
161.02371	1.8
163.04036	1.1
165.01929	1.0
175.04008	1.6
176.01149	1.9
177.01926	100.0
178.02260	2.3
179.03473	1.3
180.07352	0.7
189.01947	1.3
191.03604	1.1
203.03465	1.2
205.05052	0.8
207.02917	1.6
213.01678	0.7
219.03030	1.8
223.06030	1.2
231.03020	0.8
237.04018	0.9
239.07208	1.0
249.03992	1.0
267.06534	0.8
269.04413	0.9
281.04593	1.1
282.05341	2.1
283.06110	7.7
295.06082	7.2
296.06903	1.7
297.07635	10.3
304.17349	0.8
307.05899	0.8
311.05563	7.5
322.04904	1.0
323.05600	5.0
325.07184	4.9
328.05826	1.3
335.05716	1.1
337.07162	2.6
339.07642	4.9
341.06583	3.1
343.75647	0.8
351.05103	5.7
353.06653	22.3
365.06726	3.6
367.04474	1.3
369.06088	11.3
381.06100	2.4
383.03348	1.2
383.07697	12.7
397.05484	0.9
399.07300	7.8
401.08496	1.6
411.07364	1.1
425.08636	1.6
441.08450	2.7
443.09879	11.8
448.95102	0.8
455.09979	2.0
457.07587	1.6
459.09344	16.7
485.10864	1.1
527.12567	1.1
545.13013	76.4
546.13232	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	545.1302
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
50.14764	0.3
54.80609	0.3
55.01867	0.4
57.03167	0.4
57.03450	5.6
59.01377	6.2
61.98823	0.9
66.18485	0.3
71.01379	2.8
73.02930	1.0
74.52818	0.3
79.01884	0.4
82.95433	0.4
83.01376	0.4
85.02967	0.8
87.00900	0.4
88.04028	0.4
89.02452	1.3
91.05486	0.4
93.03442	1.7
99.04527	4.3
101.02445	2.3
105.03497	0.5
107.01383	0.4
113.02437	0.8
117.03469	5.4
119.05025	1.5
121.02957	1.3
125.02419	2.3
131.05060	0.6
133.02937	0.8
135.04521	2.1
145.02925	0.4
147.04520	1.0
149.02455	1.8
150.03235	0.4
159.04483	1.1
161.02467	3.4
161.04544	0.7
163.03952	1.8
165.01941	0.9
173.02443	0.6
173.06125	0.5
174.03127	0.4
175.03979	1.8
177.01929	22.2
177.05510	1.5
179.03484	1.3
187.04132	0.3
189.01929	1.3
189.05537	1.0
191.03537	1.7
195.08324	0.3
197.06068	0.5
197.90852	0.3
201.01834	0.4
203.03506	2.0
204.00745	0.5
205.01385	1.2
205.05019	0.8
207.02969	3.0
209.06093	0.5
211.07626	0.4
217.04893	0.4
219.02975	1.2
221.11758	0.5
223.07576	0.5
224.08362	0.6
225.05667	0.5
231.03069	0.8
233.04509	0.6
235.07533	0.4
237.03952	1.2
239.07068	0.8
249.03787	1.6
251.07074	1.1
253.04916	0.4
253.08641	0.7
254.05811	0.4
265.04886	0.6
267.06531	1.5
268.07382	0.8
269.04480	1.4
275.05573	0.4
278.05814	0.8
279.06677	0.8
281.04520	2.7
282.05280	3.2
283.06116	12.4
291.06558	0.4
293.04398	0.7
294.05234	0.9
295.06116	8.6
296.06848	3.9
297.04263	0.9
297.07675	18.2
298.08023	0.5
307.06171	2.6
309.04065	1.2
309.07629	2.7
310.04803	0.9
311.05582	10.2
319.06216	0.5
321.04102	0.9
321.07602	0.6
322.04828	1.7
323.05612	9.7
323.09119	0.4
324.06201	1.5
325.07169	7.3
328.05841	2.5
335.05762	1.7
337.07275	3.0
339.05035	2.6
340.05737	0.5
341.06644	4.7
347.05496	0.5
349.07257	0.5
351.05069	5.6
353.06668	29.4
354.07040	1.2
355.08090	1.0
356.05344	1.2
363.04996	0.8
364.05496	0.4
365.06616	4.1
367.04208	1.8
369.06143	17.3
379.08203	0.6
381.06186	4.4
383.07684	15.9
395.07660	1.4
397.05344	0.7
399.07199	12.1
399.12448	0.7
400.07553	1.0
401.08667	1.5
401.21640	0.7
405.06082	0.5
407.07748	0.5
411.07257	1.1
413.08499	0.6
423.07233	0.6
425.08978	1.8
429.08090	0.6
441.08334	3.5
442.08749	0.7
443.09808	17.0
444.10446	0.6
455.09866	3.2
457.07932	3.1
458.08392	0.8
459.09302	23.2
460.09637	1.2
485.10898	1.0
501.34348	0.5
527.12073	1.3
545.12988	100.0
546.13275	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	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40335	1.5
55.01834	1.6
57.03449	33.3
59.01377	97.7
61.98824	8.0
68.99567	2.7
69.03433	1.8
71.01379	36.9
71.05011	1.6
72.99297	3.3
73.02950	14.8
74.02457	1.6
75.00858	3.6
83.01373	8.0
85.02936	8.9
87.00880	8.6
89.02438	22.9
93.03426	2.4
95.01395	2.6
96.96019	18.9
97.06606	3.7
99.04512	24.1
101.02435	27.6
107.05013	6.3
109.06673	2.0
112.98562	2.8
113.02438	12.5
114.93383	2.1
115.00365	20.8
117.03458	5.6
119.03492	6.1
119.05117	2.2
123.04532	2.8
123.08118	2.6
125.02429	18.4
131.03497	1.8
133.01437	17.6
135.04536	3.0
137.09608	1.5
137.23923	1.7
138.09534	1.5
143.03496	3.6
149.04578	3.1
153.09233	2.5
155.03535	2.4
161.02464	3.7
161.04573	9.7
161.09729	9.1
161.13388	2.9
163.11317	2.2
172.33284	1.8
175.04022	2.0
177.01714	2.4
179.05629	7.3
179.10741	2.4
187.11250	7.5
189.01973	2.0
189.09331	2.3
191.03519	1.8
203.10802	6.4
205.12312	4.1
207.10196	2.2
213.27028	1.5
221.06612	2.9
221.11813	11.0
223.13377	41.7
239.12857	4.3
249.04189	1.8
249.11324	6.2
263.07495	1.3
265.14520	2.0
267.12366	74.4
269.04538	2.3
281.04568	3.2
282.05161	3.4
283.06113	11.0
285.04092	3.5
291.12146	1.6
295.06021	7.7
296.07071	3.5
297.07684	13.7
307.06094	4.7
309.07651	3.1
311.05521	12.8
323.05756	11.0
323.09393	2.2
325.07086	6.3
328.06265	2.0
335.05603	4.5
337.07089	4.3
339.05197	3.6
341.06732	4.6
351.05045	7.2
353.06689	25.7
365.06689	4.0
369.06122	11.9
381.06140	2.5
383.00665	3.1
383.07764	9.2
383.17206	2.3
399.07193	4.4
401.18097	7.5
403.08560	1.8
425.08923	7.6
429.08545	2.3
429.17636	52.5
430.17807	2.1
441.08444	2.9
442.09183	2.2
443.09866	16.7
455.09842	5.5
457.07675	2.5
459.09308	14.5
527.11768	6.4
545.13043	100.0
545.22205	12.7
546.13391	6.8
561.82251	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	545.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12141	1.5
57.03448	65.9
59.01380	100.0
61.98817	5.2
69.03458	1.9
71.01010	3.4
71.01382	44.8
73.02949	49.2
81.03465	2.6
83.01379	13.2
83.05364	1.7
85.02972	8.9
87.00883	3.8
89.02443	44.9
95.05017	1.6
97.06618	3.2
99.04517	63.4
99.05179	3.0
101.02440	68.9
109.76723	1.7
113.02451	23.1
113.06113	2.9
117.03429	2.0
119.03492	19.8
123.04536	14.0
125.02444	43.5
125.92671	1.6
131.03511	3.7
141.05638	2.3
143.03520	9.3
149.04533	4.8
151.07695	2.5
161.04570	14.9
165.09142	2.8
179.05597	17.6
179.10760	3.6
185.32532	1.9
203.10748	5.9
206.09508	5.1
221.11865	20.1
245.11980	1.9
310.97070	1.6
311.05475	2.5
353.06567	2.0
383.17178	11.9
401.18164	31.7
402.18665	2.0
425.08688	6.7
443.19254	8.6
483.22726	3.6
501.23318	3.9
545.13049	28.0
545.22351	76.1
546.22632	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94009	1.8
57.03445	58.4
59.01376	100.0
69.03462	4.9
70.06043	4.3
71.01380	31.5
71.17715	1.9
73.02947	36.8
81.03475	3.7
83.01381	9.1
84.33574	1.7
85.02948	11.3
87.00842	2.5
89.02441	25.0
96.96011	3.2
97.06594	1.9
99.04518	57.5
101.02438	52.3
113.02438	13.0
113.06079	4.1
119.03503	13.8
123.04554	9.3
123.05255	1.7
125.02445	43.0
128.29236	1.8
128.30222	1.9
130.65904	1.8
131.03511	4.4
141.05597	3.2
143.03532	7.3
149.04544	4.5
149.09703	3.9
151.07771	2.8
161.04562	15.6
161.09590	2.5
164.08333	3.0
165.09128	4.0
175.11240	4.4
179.05650	9.2
179.10783	28.0
188.08464	2.1
191.10791	3.4
203.10834	15.2
212.70779	1.8
221.06740	3.9
221.11790	24.8
239.12804	3.4
342.17575	2.0
383.17041	7.3
401.18127	33.6
443.19421	11.4
483.22122	2.7
545.13605	4.3
545.22192	40.5
551.92767	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	82.4
59.01383	74.2
59.98776	4.9
69.12168	31.7
71.01385	32.9
72.81192	4.9
73.02946	16.9
83.01411	5.0
85.02966	6.1
89.02452	16.0
98.22599	12.1
99.04521	100.0
101.02448	37.8
113.02484	16.3
113.97436	5.0
119.03452	5.0
121.06512	4.9
124.05287	5.4
124.83053	4.6
125.02435	50.0
133.33974	5.7
139.07668	35.8
143.03560	5.5
149.04567	7.0
161.04538	13.8
165.05516	6.9
168.07951	17.6
169.21025	5.2
191.10712	25.0
210.66362	5.4
221.11780	8.1
222.22359	4.5
239.12915	24.4
283.31192	4.7
304.33746	5.2
335.08527	5.0
383.17130	44.1
401.18124	45.3
443.19061	14.2
506.53812	5.4
545.22363	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37856	0.3
55.01861	0.5
57.03438	2.0
59.01378	13.9
61.98828	0.8
69.03448	1.3
69.10856	0.8
69.11271	1.6
71.01018	0.5
71.01385	8.3
71.05017	1.2
72.99280	0.4
73.02946	1.6
75.00863	0.4
76.35831	0.3
81.03472	0.4
81.68814	0.4
83.01389	0.7
83.05018	1.8
84.02169	0.4
84.69393	0.4
85.02956	2.9
85.06584	0.9
87.00859	1.0
87.04491	0.5
89.02447	7.8
93.03459	0.4
95.01388	0.8
95.05038	0.5
97.02948	10.0
97.06580	0.9
98.03738	0.4
98.21764	0.7
101.02447	9.0
109.06583	1.3
111.04526	1.0
111.08181	3.2
113.02456	4.5
119.03485	2.5
123.08163	0.6
125.02419	0.5
125.09758	0.4
127.07689	0.4
131.03447	0.4
137.09721	3.9
143.03481	1.0
161.04562	4.8
167.10756	0.7
169.12303	1.0
171.10287	6.9
177.12814	0.8
179.05585	1.6
179.14371	1.0
181.12370	0.8
183.13890	0.7
185.11870	0.4
195.13895	8.7
197.11812	7.3
199.13319	0.5
209.15266	0.5
209.81914	0.4
211.13426	1.5
221.11971	0.6
221.15450	4.7
223.13406	3.0
233.15369	0.9
235.17000	0.5
239.12915	1.3
239.16425	1.7
247.20638	1.4
251.16647	0.9
253.09279	42.7
254.09633	0.4
262.69644	0.5
263.20166	0.8
265.18112	0.4
273.18658	2.0
291.19647	24.7
292.20117	0.6
309.20703	100.0
310.21164	2.5
356.61874	0.4
411.87717	0.4
424.63712	0.4
545.29236	2.5
574.26300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03452	0.8
59.01378	9.1
59.82243	0.2
61.98848	0.2
69.03467	0.7
69.08728	0.8
69.09143	0.5
71.01382	4.9
72.99303	0.2
73.02950	1.1
77.94194	0.2
83.01398	0.5
83.05042	0.5
85.02949	1.5
87.00906	0.8
89.02442	4.4
91.04025	0.3
94.08198	0.2
95.01397	0.4
95.05009	0.4
97.02963	1.5
97.06619	1.0
99.00888	0.5
99.08157	0.3
101.02441	6.7
106.04239	0.2
110.53349	0.2
111.00921	0.2
111.08142	1.2
113.02444	2.2
113.06076	0.4
113.09715	1.7
115.07674	0.7
119.03508	1.2
121.10245	0.2
122.58794	0.2
123.04543	0.2
125.06123	0.4
125.09721	0.5
126.06914	0.4
131.03528	0.3
137.09703	0.4
139.11269	0.5
141.09270	1.1
143.03522	0.5
151.11296	0.4
152.08502	0.2
153.12848	0.5
155.10809	0.3
157.05112	0.2
161.04564	2.3
163.11328	0.6
165.12828	2.6
167.10782	0.5
167.14430	1.5
169.12437	0.2
171.10303	0.8
177.12827	0.4
179.05629	0.7
179.14413	0.5
180.11349	0.2
181.12355	2.6
183.13939	0.7
193.12361	1.2
193.16026	0.8
195.13895	1.8
197.11818	3.1
199.13347	0.3
209.11855	0.8
211.13409	3.4
213.15027	0.6
217.15990	0.4
221.15462	1.6
227.12904	0.5
229.14513	0.5
229.19632	0.3
235.08244	0.6
240.13675	0.8
241.14427	0.4
242.15364	0.2
247.20662	3.4
253.09274	20.9
253.21638	0.2
254.09651	0.5
263.20099	0.8
265.21671	0.4
273.18613	2.3
281.21317	1.5
291.19653	34.2
292.17017	0.2
292.19818	1.0
309.20697	100.0
310.21054	2.5
311.22165	0.4
455.63641	0.2
545.29645	16.0
546.29932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10022	0.5
52.42376	0.5
55.01904	0.4
57.03440	0.5
59.01381	7.5
61.98832	0.8
64.67918	0.4
69.10294	1.0
69.10682	3.1
71.01379	5.2
73.02938	1.2
75.00858	0.7
83.05015	0.5
83.49444	0.4
83.63877	0.5
85.02978	1.4
89.02441	5.1
91.32430	0.5
95.01367	0.6
97.06601	1.5
101.02441	5.5
113.02451	3.3
113.09721	2.0
115.07664	1.1
119.03531	1.3
120.41824	0.5
124.46897	0.5
125.06123	0.7
139.11281	1.0
141.09235	1.2
147.51541	0.5
149.09778	0.7
161.04564	1.9
163.11264	0.8
165.12910	2.4
167.10884	0.5
167.14435	1.9
174.12994	0.4
181.12312	3.3
183.13873	0.7
193.12354	1.9
195.13895	2.0
211.13385	3.2
221.15471	2.2
239.13124	0.6
240.13571	0.8
241.14465	0.6
247.20688	3.4
253.09291	18.4
273.18661	3.1
281.21198	1.5
283.11014	0.6
291.19669	35.8
292.20041	1.6
309.20718	100.0
310.21017	4.3
311.22266	1.0
338.43954	0.6
419.18680	0.5
440.49765	0.6
545.29626	14.7
546.30060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03445	3.7
58.33941	0.4
59.01380	13.9
61.98815	1.4
69.03460	1.5
69.22108	1.6
69.22511	0.9
71.01383	6.5
71.05019	1.5
73.02938	1.2
75.00869	1.3
81.03442	0.6
83.01391	1.4
83.05034	2.2
84.93876	0.5
85.02957	2.3
85.06598	1.0
87.00875	1.1
87.04533	1.4
89.02441	7.0
92.08866	0.4
95.01372	0.7
95.05011	0.8
97.02950	9.5
97.69920	0.4
97.92757	0.4
99.04517	1.5
101.02451	8.5
106.30706	0.4
109.06588	1.7
111.04548	0.8
111.08150	1.0
113.02434	4.0
119.03568	2.1
119.08652	0.4
119.38015	0.4
125.02433	0.7
125.06096	0.4
125.09777	0.7
127.07642	0.5
131.03528	0.4
135.11739	0.6
137.09734	4.4
143.03531	0.8
161.04555	4.7
167.10742	0.9
171.10284	5.1
179.05649	1.5
179.14432	1.2
181.12332	0.9
186.48004	0.4
195.13896	9.7
205.12260	0.9
211.13367	1.0
221.11868	0.6
221.15424	6.3
223.13358	2.7
229.19565	0.7
239.12917	1.1
239.16588	1.9
247.20731	1.1
251.16560	0.6
253.09279	41.6
254.09573	0.5
273.18634	1.9
281.21405	0.6
291.19675	21.5
292.20084	0.6
306.05670	0.5
309.20715	100.0
310.21030	4.0
313.15561	0.4
545.30365	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	547.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28352	1.4
57.03442	6.2
59.01385	9.3
69.28242	8.2
71.01384	3.5
74.99527	1.6
85.02946	1.9
89.02441	4.0
99.04522	6.9
101.02458	4.2
112.60056	1.8
116.20550	1.6
117.03493	3.2
122.12061	1.5
125.02512	2.1
148.42992	1.9
161.02405	1.9
169.81613	2.0
175.03920	1.7
179.05646	1.8
179.10626	1.5
191.03398	1.7
254.43747	1.9
283.06073	3.2
295.06107	4.4
296.06854	2.5
297.07669	15.1
300.88959	1.7
307.06140	2.0
311.05585	3.4
323.05649	4.0
325.07080	5.5
335.05496	2.4
337.07117	3.5
341.06476	2.3
353.06656	26.1
365.06589	5.9
383.07773	22.1
385.18665	3.7
395.07648	2.6
395.34958	1.7
403.19800	10.5
413.08832	3.4
425.08389	1.7
443.09973	2.5
445.20737	2.9
457.11462	11.9
487.12708	3.6
512.57544	1.9
535.24280	1.7
547.14594	100.0
547.23444	5.4
548.15143	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	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29994	0.8
59.01379	3.6
61.98804	1.2
71.01377	3.3
78.69412	0.9
87.19469	0.9
89.02435	2.2
93.03463	1.0
101.02431	2.0
109.07596	0.9
117.03471	3.5
119.03564	1.2
125.02420	1.2
135.04521	1.6
161.02417	1.5
163.04025	1.2
175.04068	1.0
176.36212	0.9
191.03465	1.9
203.03531	1.7
205.05148	1.3
221.06703	1.0
233.04575	0.9
247.93761	1.1
251.07217	0.9
259.05951	0.9
281.04501	1.8
282.05276	1.2
283.06079	2.9
295.06061	4.4
296.06842	3.8
297.07703	13.1
307.06036	1.7
309.07736	2.1
311.05679	3.8
323.05670	3.7
323.09622	1.0
325.07278	6.5
328.05923	2.5
337.07196	3.6
353.06680	29.5
354.07031	1.1
365.06677	5.9
383.07724	25.6
395.07590	2.7
407.07382	1.1
413.08728	3.7
425.08978	2.6
443.09686	1.6
457.11398	12.5
469.11191	1.4
487.12592	4.2
529.13263	1.7
547.14600	100.0
548.15259	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80944	1.9
53.48829	2.0
59.01381	22.4
61.29686	1.9
65.47089	1.9
71.01381	5.5
71.26046	1.8
84.26229	1.6
84.71525	1.7
85.58423	2.0
96.96043	2.9
113.02466	2.8
113.57495	1.7
115.00340	1.9
115.30942	1.9
117.03474	11.3
117.60157	2.2
119.05017	38.2
133.06586	3.1
145.02946	100.0
161.06064	3.2
163.03999	56.8
171.27361	2.0
187.03984	4.8
205.05055	13.7
223.05971	2.5
248.87108	1.9
265.07190	5.3
266.53229	1.8
318.96384	2.1
325.09274	70.5
547.23334	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	1.5
62.96413	1.3
66.93456	1.1
69.74586	4.0
71.01370	4.6
78.95902	87.7
84.93913	2.0
90.38149	1.4
94.99020	1.9
96.95983	2.1
98.95564	2.4
99.92581	24.9
100.93374	8.1
110.98535	20.2
115.92070	11.9
116.92850	19.3
148.91025	1.6
150.98041	2.5
151.01657	2.3
152.99503	1.8
156.03923	1.4
163.89700	5.4
164.90500	13.8
164.99542	7.2
167.01154	7.9
178.88434	20.0
179.89211	28.4
180.89989	19.6
181.90804	8.3
193.90773	49.0
194.91576	19.7
195.92259	2.6
196.89476	85.5
199.41995	1.2
204.14677	1.3
210.90994	10.1
219.92340	1.7
236.92691	3.1
248.92502	4.5
249.93324	4.7
250.94260	6.2
252.92020	2.8
266.93677	6.7
267.94382	4.2
279.23334	9.4
286.06891	1.4
307.94464	1.2
379.15912	1.7
499.15341	1.6
524.76794	1.3
529.16571	18.6
543.14551	7.9
547.17682	100.0
548.17755	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98810	10.1
70.93340	7.6
71.01378	74.2
73.11668	5.6
85.02967	6.2
89.02439	59.7
98.22388	7.3
101.02451	49.5
113.02425	28.8
119.02733	7.4
119.03499	35.6
125.02410	32.8
141.66571	6.3
143.03491	13.5
148.05299	37.0
152.95259	6.2
161.04523	10.6
163.07664	10.5
164.55370	8.5
179.05577	15.1
198.79057	7.4
221.06647	24.2
263.07666	14.4
268.97086	7.3
321.68570	7.7
323.09839	60.0
353.06671	20.2
383.07681	16.9
393.47803	6.4
445.19690	7.6
547.14667	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.85828	1.5
57.03447	64.2
59.01381	78.9
69.28174	1.6
69.42738	7.5
71.01377	18.1
73.02946	9.5
81.03469	1.9
83.01382	8.4
85.02949	12.0
86.27377	1.5
87.00838	1.6
89.02438	8.3
95.01376	2.4
99.00887	1.5
99.04522	67.6
101.02451	39.0
113.02454	9.9
119.03502	3.5
125.02449	34.7
143.03540	4.7
161.04576	3.5
179.05484	2.3
223.09753	1.9
245.63135	1.5
297.07693	3.1
311.05569	2.1
325.07385	2.6
353.06711	10.0
365.06918	2.0
383.07809	11.4
385.13998	2.7
385.18695	43.2
403.19684	100.0
404.19995	4.4
445.20782	32.2
457.11395	2.9
485.24023	5.8
501.13736	2.0
503.24948	5.3
543.41785	1.9
547.14551	32.6
547.24005	39.7
548.24316	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	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87262	0.7
52.70804	0.8
55.01865	1.0
57.03448	76.0
57.70565	0.8
59.01378	100.0
70.29658	1.7
70.30004	0.9
71.01383	30.2
71.01785	1.6
73.02946	26.4
73.03362	1.4
80.04626	0.8
81.03465	2.6
83.01384	7.7
83.05032	1.2
84.02164	4.1
85.02939	6.3
87.00864	2.5
89.02444	23.7
95.01368	2.5
97.06580	1.4
99.00852	1.2
99.04516	84.3
100.04839	0.8
101.02444	49.3
113.02447	15.1
113.03238	0.9
113.06073	1.3
119.03496	13.0
123.04522	5.5
125.02442	42.8
131.03516	2.5
139.07639	3.3
141.05603	1.4
143.03526	7.0
149.04529	2.8
161.04568	9.5
165.09274	1.2
172.73419	0.8
179.05608	8.6
179.10770	1.8
187.09738	1.1
205.05020	2.0
205.12347	4.0
221.06700	1.5
223.13377	13.6
355.17722	1.1
367.17642	5.7
385.18741	10.3
403.19702	16.9
409.18509	1.5
427.19553	2.1
445.20718	8.7
467.22980	1.0
485.24051	2.0
503.24637	2.7
547.15753	1.9
547.23926	24.1
548.23883	1.0
567.84583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70805	1.1
55.01864	2.6
55.64660	1.2
55.67199	1.5
56.59272	1.2
57.03449	66.3
58.00584	1.3
58.03776	1.6
59.01381	100.0
60.56243	1.3
61.75515	1.3
69.24109	6.9
71.01379	26.9
73.02958	11.6
81.03475	2.5
83.01389	6.0
85.02949	10.5
87.00886	1.9
89.02450	22.9
95.01421	1.4
98.21915	3.4
99.04522	76.0
100.04830	1.5
101.02441	42.9
102.02835	2.0
107.79341	1.3
113.02448	15.8
115.00391	2.9
119.03499	10.4
125.02452	47.5
131.03514	1.9
132.54689	1.3
134.15376	1.5
143.03510	5.3
144.33403	1.6
153.09256	2.9
155.49640	1.6
161.04561	7.9
175.02490	2.3
179.05585	4.4
205.12384	2.1
211.13341	3.2
223.13353	3.0
241.14455	13.3
241.52408	1.5
303.19498	1.4
367.17569	4.4
385.18643	29.6
403.19699	50.6
427.19833	7.9
435.14935	1.4
445.20758	18.3
467.22620	1.6
475.10510	1.6
485.23840	3.3
503.24918	5.9
547.23932	36.4
548.24414	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	56.7
59.01382	75.3
61.98829	44.5
71.01386	31.6
73.02949	12.7
83.01381	4.3
85.02941	7.9
87.00877	8.0
89.02447	29.9
93.00608	2.7
95.79169	2.7
99.04516	54.9
101.02434	45.0
113.02435	17.6
119.03494	11.6
123.08163	3.5
125.02425	38.6
125.27761	2.6
127.36992	2.5
131.03517	2.7
134.72884	2.8
137.09741	3.8
143.03506	5.1
149.04539	6.7
153.09286	7.2
153.58031	2.7
154.89195	2.7
161.04506	5.7
179.05577	7.0
179.75603	2.9
193.12321	4.5
211.13457	3.7
214.26324	2.8
241.14442	36.8
266.07480	2.6
285.11923	2.8
323.09885	4.5
385.18710	31.0
403.19720	100.0
404.20462	3.8
414.08267	3.0
418.57449	3.3
445.20724	35.9
483.10159	3.1
547.24042	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	83.8
59.01377	100.0
61.98830	5.3
67.74354	3.5
71.01372	14.7
71.43430	3.0
73.02936	11.4
85.02950	3.9
88.66575	3.1
89.02448	9.4
99.04518	98.3
101.02435	25.8
108.36873	2.9
113.02408	7.1
119.03493	5.8
119.18388	3.9
125.02431	39.9
125.95866	3.1
128.85612	3.1
129.38876	3.5
143.03551	3.8
147.08167	3.4
161.04517	8.1
161.42094	4.0
163.11241	4.5
173.37785	3.8
179.05548	7.1
205.12354	23.3
223.13324	10.3
385.18527	4.2
403.19611	10.6
445.20865	9.8
547.23578	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	548.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.73198	0.6
75.54984	0.5
76.92429	0.5
85.76902	0.4
86.64702	0.4
97.46410	0.5
98.12286	0.4
111.80686	0.5
195.60625	0.5
236.06409	0.5
315.58273	0.5
475.21567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51443	0.4
58.65854	0.4
60.39591	0.4
61.98823	1.2
69.38371	1.9
77.03961	1.8
100.65447	0.5
116.67038	0.4
121.02956	100.0
122.03284	1.1
165.01929	54.4
166.02246	1.2
175.82465	0.4
181.06615	2.4
197.06073	2.4
204.73685	0.4
207.04480	1.0
207.08231	0.5
225.05530	1.7
257.09659	0.7
313.07095	1.3
357.06076	0.5
373.70264	0.4
383.07550	0.8
406.25287	0.4
417.09689	1.6
479.03265	0.5
505.11273	1.3
549.10382	36.7
550.10657	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	85.2
59.01380	100.0
61.98823	7.2
67.29395	1.8
70.61406	4.2
71.01376	40.7
71.56719	1.9
73.02943	27.8
81.03484	3.6
82.85726	1.9
82.95410	4.9
83.01399	9.0
84.81508	1.7
85.02958	13.7
87.00875	3.3
89.02437	32.1
95.01381	2.7
96.96012	4.1
99.00871	2.2
99.04518	85.0
101.02447	57.5
111.67913	2.3
113.02443	23.3
113.06136	2.5
116.92860	6.9
119.03506	12.1
119.05008	9.6
123.04533	6.5
125.02460	41.9
125.09725	42.6
131.03474	3.9
138.61084	2.2
143.03506	10.5
149.04541	3.8
161.04558	12.8
163.04030	7.8
179.05658	9.2
207.13899	2.8
225.14972	14.7
242.05829	6.1
257.08130	8.1
311.10349	2.6
315.09738	4.0
337.08246	5.5
355.09256	2.8
369.10825	7.1
369.18872	5.5
387.11920	5.0
387.20239	40.1
405.21362	48.2
429.12842	3.4
429.21283	2.3
447.22934	11.2
487.25473	3.1
549.25507	71.8
550.25806	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	85.2
59.01380	100.0
61.98823	7.2
67.29395	1.8
70.61406	4.2
71.01376	40.7
71.56719	1.9
73.02943	27.8
81.03484	3.6
82.85726	1.9
82.95410	4.9
83.01399	9.0
84.81508	1.7
85.02958	13.7
87.00875	3.3
89.02437	32.1
95.01381	2.7
96.96012	4.1
99.00871	2.2
99.04518	85.0
101.02447	57.5
111.67913	2.3
113.02443	23.3
113.06136	2.5
116.92860	6.9
119.03506	12.1
119.05008	9.6
123.04533	6.5
125.02460	41.9
125.09725	42.6
131.03474	3.9
138.61084	2.2
143.03506	10.5
149.04541	3.8
161.04558	12.8
163.04030	7.8
179.05658	9.2
207.13899	2.8
225.14972	14.7
242.05829	6.1
257.08130	8.1
311.10349	2.6
315.09738	4.0
337.08246	5.5
355.09256	2.8
369.10825	7.1
369.18872	5.5
387.11920	5.0
387.20239	40.1
405.21362	48.2
429.12842	3.4
429.21283	2.3
447.22934	11.2
487.25473	3.1
549.25507	71.8
550.25806	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	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89438	24.4
61.98802	33.5
66.32732	24.8
69.16748	100.0
69.17160	58.8
78.95948	23.2
93.59747	28.6
93.69679	25.2
124.86265	23.7
191.21481	31.7
242.34326	26.3
277.21744	49.7
567.70715	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34339	16.5
69.13037	100.0
81.16147	15.7
97.64452	17.0
137.63239	16.5
146.67191	16.3
178.67068	14.6
277.21609	32.0
311.74170	17.4
315.25812	18.3
359.14471	18.4
444.72314	18.7
554.94843	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	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.8
59.01383	18.1
61.98830	100.0
69.12775	18.9
71.01376	6.7
75.00860	4.3
85.17453	2.6
87.00872	3.0
89.02421	4.3
99.04488	5.6
101.02411	6.5
111.08150	4.8
116.92855	4.8
133.02896	6.8
135.67935	2.5
161.02464	23.1
169.12337	4.4
197.11829	22.6
199.13321	5.5
211.13382	4.5
261.16840	2.8
279.66983	2.9
287.35345	2.8
291.19794	3.2
327.21753	88.3
351.22000	3.9
358.44110	2.8
376.12451	2.8
441.83615	2.9
475.29456	2.7
545.58173	3.1
549.23212	13.8
549.31769	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	549.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30837	0.3
69.31250	0.4
78.95901	3.6
79.95732	2.2
81.74280	0.2
85.53468	0.2
89.02456	0.1
94.98083	0.4
95.97600	0.2
96.00913	0.2
96.96009	100.0
96.96904	6.9
98.21926	0.3
137.81761	0.1
226.23381	0.2
288.15244	0.1
378.14743	0.2
450.56027	0.1
489.27545	0.3
549.30426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92946	0.6
59.01380	11.9
61.98823	0.8
71.01380	2.3
77.29926	0.5
78.95901	3.0
89.02433	1.2
94.92523	0.7
95.67354	0.6
101.02438	1.2
113.02428	0.7
141.57776	0.6
152.99568	2.0
161.04643	0.8
215.05331	0.6
229.22986	0.6
235.08235	2.4
245.04446	2.8
253.09322	12.0
253.21724	100.0
254.22063	2.3
365.23044	0.6
369.57935	0.8
481.25714	3.9
577.29266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01377	1.8
60.96608	0.6
61.98830	100.0
62.31796	0.6
70.70085	0.6
70.84769	1.0
71.01395	0.8
71.23479	0.6
76.68809	0.6
80.55131	0.6
89.02394	0.6
94.23034	0.5
99.04494	0.7
101.02464	0.6
113.02488	0.6
117.83592	0.6
173.28528	0.5
193.79529	0.6
200.41374	0.6
211.17476	0.6
214.23602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97062	1.2
54.12093	1.5
54.15287	1.3
59.01377	100.0
61.98835	18.7
64.22923	1.4
70.56445	1.5
71.01382	57.6
72.99299	2.3
73.02919	1.5
81.20308	1.4
85.02950	9.4
87.00874	4.5
88.63042	1.5
89.02443	69.0
93.26037	1.3
95.01389	3.6
101.02437	35.0
101.76233	1.4
113.02449	24.4
119.03504	35.6
119.04327	2.9
131.03497	4.3
137.02498	1.8
143.03502	7.1
149.04599	3.4
159.04453	1.9
161.04565	5.8
173.05840	1.4
175.04007	4.8
177.05499	2.5
179.05612	17.5
187.03943	4.4
190.06316	2.2
205.05038	4.2
219.06683	2.0
220.07497	7.0
220.09428	1.5
235.09747	5.2
311.09293	4.1
326.11545	5.0
341.14063	2.0
359.15271	1.5
371.14960	32.3
372.15359	1.7
441.73480	1.7
478.87210	1.4
489.58124	1.6
551.21375	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	551.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28120	2.1
57.03446	81.0
59.01379	100.0
61.98821	10.3
71.01374	23.7
71.16428	2.4
73.02947	13.6
73.25549	2.0
75.00863	7.9
75.76871	1.9
81.71834	2.0
83.01381	5.3
84.70788	2.0
85.02952	9.4
85.39578	2.1
87.00866	5.7
87.04521	27.4
89.02435	25.1
89.03503	1.8
95.01361	2.2
96.95996	2.1
99.00865	3.7
99.04518	77.1
101.02438	34.6
113.02443	12.5
115.00347	4.1
119.03430	5.4
121.02921	4.6
123.04483	2.7
125.02424	20.1
130.08749	5.0
131.03485	2.1
133.02963	2.9
143.03459	3.8
146.06140	2.7
146.47800	2.3
161.02435	4.0
161.04520	4.8
162.02699	2.7
171.10146	2.0
174.01741	10.6
179.05525	4.4
201.12456	2.6
224.34254	2.1
267.27957	2.2
301.20132	3.9
336.31958	2.6
347.24564	2.9
348.25262	6.9
389.25711	15.6
407.22760	3.1
413.21887	7.1
515.24963	38.6
515.32031	4.4
551.17126	3.1
551.23126	3.8
551.31415	30.0
552.28229	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80669	0.4
57.03446	16.1
59.01380	13.8
61.98826	4.7
69.37813	0.6
69.38155	1.6
71.01384	5.9
72.99281	0.4
73.02947	2.2
75.00859	1.4
79.05513	0.4
81.46400	0.4
83.01381	0.9
85.02929	2.3
87.04512	100.0
88.04855	1.0
89.02439	2.2
95.01414	0.4
99.04522	10.3
101.02441	6.5
103.03997	1.1
113.02440	1.4
119.03502	0.8
125.02439	4.7
129.09222	0.6
141.25320	0.4
143.03476	0.7
145.03006	0.7
157.05034	0.5
161.04536	1.1
166.52824	0.5
174.65895	0.4
215.12767	0.4
247.08189	1.1
265.09256	2.0
275.15024	1.9
287.80725	0.4
307.10345	0.9
317.16180	0.9
319.13968	1.2
357.19427	0.6
361.15002	0.5
363.20316	2.0
389.25583	1.1
407.19122	7.6
409.13602	0.8
419.19263	1.7
449.20175	2.5
515.24872	1.5
551.23566	9.3
551.31000	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	551.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83125	0.4
57.03455	1.0
59.01374	1.9
71.01379	1.4
71.46831	0.6
73.02954	0.6
75.00868	0.5
78.05808	0.5
85.02917	0.7
89.62193	0.4
91.36600	0.5
96.96013	3.9
98.38413	0.4
98.95592	2.7
98.96450	0.5
99.04488	0.6
101.02441	1.0
108.02178	10.4
113.02462	0.7
113.03591	0.5
121.02970	3.0
122.03770	0.9
125.02460	0.5
127.05178	0.7
135.04573	0.5
168.92165	0.4
188.91397	0.6
260.16476	1.1
277.50159	0.4
302.21304	1.2
326.21185	2.3
327.65097	0.6
328.22855	6.8
345.23083	5.2
346.23853	100.0
347.24249	3.9
359.15027	1.2
407.22556	0.8
418.19818	0.6
551.26306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60118	47.0
70.75902	69.0
78.95902	100.0
94.92517	81.1
128.16069	62.2
195.56953	52.1
276.18185	50.6
279.23376	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26409	72.5
70.39684	94.6
74.30173	89.7
79.63710	86.6
87.09171	70.2
88.42317	70.7
185.04160	77.1
277.30707	85.1
309.84421	87.1
333.48062	92.7
342.95773	83.1
343.26550	93.6
423.65155	100.0
572.27344	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3073
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
52.18814	0.6
55.45744	0.6
56.84504	0.5
57.03445	6.2
57.21833	0.5
59.01379	19.1
61.98827	5.5
66.52936	0.5
71.01388	3.1
73.02631	0.7
73.02929	2.9
75.23634	0.6
83.01429	0.7
85.02984	1.7
87.04546	0.7
87.50173	0.5
89.02464	1.5
97.06628	1.3
98.37502	0.6
99.04510	6.1
101.02431	3.4
109.06647	1.7
113.02494	2.3
116.92879	0.9
123.08211	1.0
125.02405	3.0
135.08205	1.7
139.11349	1.0
141.09157	0.6
146.36453	0.6
153.09212	1.3
157.12328	2.7
161.04630	0.8
162.65804	0.6
169.12460	1.8
170.02295	0.6
185.11841	4.0
208.56209	0.6
215.12901	2.6
250.08728	0.7
293.21320	1.7
309.24243	1.0
311.22284	4.2
312.22644	0.6
325.23636	1.2
327.21692	3.5
327.25418	15.3
329.23309	94.4
330.23654	2.3
353.23096	1.1
371.20340	1.0
371.24335	1.8
384.64395	0.6
389.25421	100.0
390.25729	1.8
413.21588	1.1
415.16275	0.6
431.26654	3.1
437.34195	0.6
515.25043	3.2
551.30713	29.9
552.30823	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95378	1.0
59.01376	11.4
62.75055	0.9
64.32316	1.0
69.62413	3.7
71.01385	2.0
78.95905	2.1
80.59877	0.9
89.02448	1.7
101.02438	2.9
113.02435	1.5
119.03513	1.0
139.35515	1.0
152.99585	2.6
161.04544	1.0
178.51440	1.0
207.51181	0.9
235.08192	2.3
253.09245	11.6
255.23285	100.0
256.23523	2.5
456.91443	1.0
482.25687	1.6
483.26996	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	552.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
59.01379	0.6
61.98828	100.0
69.80460	0.3
71.01380	0.2
85.02979	0.1
89.02473	0.1
93.71380	0.1
97.62411	0.1
97.86870	0.1
99.04523	0.1
101.02464	0.1
103.46077	0.1
103.82487	0.1
113.02518	0.1
115.56638	0.1
130.08786	0.1
147.43488	0.1
161.69231	0.1
296.09409	0.1
310.96423	0.1
328.18909	0.1
329.22720	0.1
390.26089	0.2
489.30716	0.1
552.24860	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17806	0.1
55.91918	0.1
59.01379	0.3
61.28376	0.1
61.98830	100.0
70.69723	0.2
71.01386	0.2
81.03400	0.1
83.36372	0.1
130.08823	0.2
157.90005	0.1
160.86551	0.1
171.10332	0.1
181.27374	0.1
244.87637	0.1
329.23166	0.3
330.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03740	0.2
57.03438	0.4
61.98829	100.0
65.99383	0.2
70.45757	0.5
71.01407	0.3
95.68388	0.2
161.02481	0.3
164.07217	0.7
271.26074	0.3
552.27881	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	552.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01379	0.6
61.98829	100.0
62.24669	0.2
65.68023	0.2
66.39623	0.2
69.26232	0.4
69.26643	0.6
71.01384	0.2
73.02964	0.2
85.02970	0.2
86.30520	0.2
94.32314	0.2
98.22620	0.4
99.04528	0.4
101.02472	0.3
115.59706	0.2
171.10310	0.2
204.17894	0.2
211.13470	0.3
229.14497	0.6
275.56775	0.2
327.21915	0.4
423.54260	0.2
489.27094	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	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93050	0.4
59.01363	1.4
60.22894	0.3
61.98809	1.5
62.55601	0.4
65.39059	0.4
69.97713	0.5
69.98058	1.1
71.01351	0.4
78.95901	8.2
87.52815	0.4
98.22558	0.8
103.82053	0.4
152.99580	1.4
168.04289	1.8
224.06966	1.1
233.22742	0.8
242.07982	3.6
275.20151	0.4
277.21716	100.0
278.22076	3.3
502.29373	40.7
503.29660	2.0
579.68286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	9.2
78.95905	37.0
118.83775	8.4
119.00364	8.1
124.60725	9.3
146.45102	8.5
152.99600	10.7
168.04321	8.6
195.22232	7.6
208.83659	8.5
224.06856	13.8
233.81247	9.5
253.21594	39.6
261.91861	9.3
263.67078	8.4
273.99725	8.2
277.21689	99.6
291.70340	9.4
326.33102	8.6
478.29800	12.3
502.29395	100.0
551.59833	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	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.19048	1.2
78.95898	0.5
80.96519	1.5
83.02769	0.2
90.44559	0.2
94.41575	0.2
94.98158	0.2
95.04488	0.2
96.96001	0.4
108.40167	0.2
134.97617	0.2
141.23842	0.2
143.83940	0.3
164.98616	0.3
225.00682	0.4
253.21732	0.2
439.13474	0.2
472.31000	0.2
553.26837	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	553.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81005	0.9
59.01366	0.9
61.98827	2.8
66.86700	0.8
71.01414	1.0
80.64387	0.7
96.96004	1.7
97.95799	0.9
113.03568	1.3
118.84536	0.7
121.02974	1.1
127.05141	1.3
130.06148	1.3
134.03740	31.2
137.02431	2.9
147.04420	1.0
149.06087	11.7
160.01677	3.2
161.01007	0.8
161.02444	1.0
175.04015	6.6
178.02707	21.3
184.07216	0.8
193.05058	100.0
194.05455	2.0
255.59654	1.0
341.08734	1.0
355.10345	41.6
356.10617	2.1
453.72205	0.9
480.53772	0.9
552.23059	1.3
553.13330	3.3
553.23053	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	553.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61787	2.8
59.35301	2.5
59.50060	3.0
61.98828	10.6
64.70545	2.9
69.16523	6.4
69.16924	15.5
77.05595	3.0
78.95911	32.2
83.19101	3.0
95.53998	2.8
96.92209	4.6
96.96011	100.0
98.21867	6.1
120.37006	2.9
152.99614	22.5
153.24907	3.0
241.53954	2.9
256.23663	6.0
433.23697	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48686	24.1
66.81208	25.1
70.56680	48.2
78.95911	62.2
82.54187	25.0
82.95400	66.1
83.30477	26.0
96.96017	100.0
98.21978	31.0
104.60136	25.2
107.10288	29.4
152.99585	58.8
158.91936	25.2
279.23169	47.9
380.50293	35.7
425.73859	28.6
520.81262	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
59.01380	0.2
61.98828	100.0
65.91329	0.1
69.77958	0.2
70.07399	0.1
71.30099	0.1
123.15243	0.1
191.79253	0.1
222.09480	0.1
464.38150	0.1
531.04047	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71487	0.2
59.01355	0.4
69.14310	1.4
73.57526	0.3
74.75887	0.2
78.95901	5.3
87.32730	0.3
98.22684	0.5
120.27940	0.3
137.50008	0.3
152.99559	1.0
168.04321	1.7
169.29671	0.3
224.06975	1.2
241.96025	0.3
242.07965	2.1
279.23279	100.0
280.23615	3.5
340.39081	0.3
405.78500	0.3
504.30951	38.6
505.31403	2.5
554.29816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70146	0.3
59.01370	0.7
59.48805	0.3
69.14664	1.8
78.95900	21.1
83.16402	0.3
99.53714	0.3
110.43855	0.3
152.99593	2.6
168.04288	3.5
194.05836	0.3
224.06891	9.0
242.07985	1.6
261.22211	0.5
279.23270	100.0
280.23599	4.5
504.30933	76.6
505.31152	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	554.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.90553	2.5
64.89906	2.2
70.22461	6.0
76.26291	2.3
77.36600	2.3
78.95906	15.7
80.41412	2.2
82.78461	2.8
96.96011	38.1
114.89259	2.6
152.99570	12.6
166.60580	2.2
213.66722	2.7
539.17212	2.8
555.28363	3.3
578.51801	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	554.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.1
61.98826	0.4
64.51578	0.3
68.27228	0.4
69.92434	1.0
72.94910	0.3
73.16718	0.3
78.95901	18.4
100.76988	0.3
110.60194	0.3
113.36855	0.3
114.40450	0.3
124.90969	0.4
152.99565	2.6
159.10709	0.3
168.04333	2.6
212.19685	0.3
224.06938	8.0
237.22078	0.3
242.08031	1.7
255.23279	100.0
256.23639	2.9
480.30945	65.4
481.31418	2.4
495.27026	0.5
518.12231	0.4
576.04169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.8
61.98837	0.8
68.66980	0.5
68.99546	1.0
69.14904	3.5
71.02773	0.6
78.95891	6.0
80.96507	1.8
96.96941	0.7
112.98576	1.3
115.05972	0.6
152.99564	1.3
168.04303	1.3
224.06985	1.3
242.07959	2.3
255.23286	100.0
256.23605	1.7
279.23233	3.5
301.54794	0.6
392.42435	0.6
480.30978	36.5
481.31375	1.5
504.30875	2.5
554.27460	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87803	15.8
59.01383	45.9
59.49866	18.3
66.10216	19.0
69.10373	91.5
76.39304	19.1
77.90332	17.8
80.13250	17.4
89.02425	42.8
94.56276	16.1
98.22685	35.0
101.02430	32.2
113.02457	25.2
158.48250	18.2
252.80162	18.4
290.86581	19.8
309.07578	79.8
324.10205	43.2
339.12549	100.0
432.98877	17.8
493.41833	18.7
563.50964	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	555.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77822	5.8
56.56644	5.6
57.03442	36.4
59.01382	90.7
61.98824	49.5
63.92048	5.5
66.52045	6.1
69.10317	32.1
71.01385	74.7
73.02953	59.0
78.95946	6.5
82.95408	6.5
83.01386	16.9
85.02946	13.6
89.02451	48.7
97.02952	20.2
98.22614	12.0
99.04542	28.8
100.20070	6.4
101.02452	100.0
103.04007	49.4
107.41879	6.2
113.02442	37.6
115.00441	7.5
115.03972	8.6
119.03506	12.0
125.02446	21.3
127.92720	7.1
143.03519	14.8
154.51208	5.9
161.04564	93.6
161.85201	6.1
169.64864	5.6
171.08910	6.1
171.10237	10.1
176.59010	5.8
179.05606	38.8
185.78322	6.6
190.02689	11.6
205.05057	10.8
249.14914	15.6
263.07703	11.0
268.79453	6.1
375.70297	6.2
393.28625	7.4
519.32465	7.4
555.25482	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	555.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
57.03447	15.6
59.01377	80.9
61.98829	27.2
69.03448	5.5
69.19942	7.3
69.20364	8.6
69.38956	2.4
71.01380	78.3
73.02945	67.2
73.46896	2.3
78.91883	3.1
78.95897	2.3
81.03440	4.6
82.20573	2.2
82.95393	3.3
83.01392	15.0
85.02950	9.8
87.00874	9.7
89.02437	48.8
95.01386	5.2
96.95998	2.6
97.02943	33.6
99.04517	13.8
101.02447	85.2
105.01942	4.0
113.02484	22.7
115.03989	8.7
116.68221	2.4
119.03490	15.3
125.02448	11.2
131.03493	4.9
143.03473	24.3
152.99545	5.2
161.03200	5.2
161.04559	100.0
179.05617	38.7
205.04999	2.8
221.06699	5.1
249.14922	3.5
263.07742	15.2
297.89206	2.4
302.66483	2.8
327.21701	3.7
332.48059	2.6
442.46930	2.5
519.31146	3.5
555.25281	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.42227	2.8
53.49437	2.9
59.01345	4.4
61.98842	3.7
62.98147	2.9
71.01382	6.3
78.95915	10.3
78.98561	5.7
79.95734	11.3
80.96514	53.8
85.00439	6.5
94.98078	9.7
96.96009	13.4
98.95585	11.5
148.99117	6.0
152.98508	3.2
152.99596	7.6
164.98613	8.6
183.51247	3.8
206.99605	4.0
225.00697	20.3
258.56439	3.1
274.46310	2.9
287.36005	3.4
322.67502	3.8
328.08301	2.9
338.40460	3.3
517.16205	4.5
555.28406	100.0
556.28687	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	555.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54466	1.2
54.94296	1.1
70.89040	1.1
70.90591	1.5
71.01380	4.9
73.02941	1.5
73.93997	1.0
78.95895	5.2
78.98596	4.3
79.01421	1.3
79.95740	6.3
80.96516	56.4
85.00432	2.6
85.02954	1.2
87.00851	2.6
94.98090	13.1
96.96002	4.8
98.95582	4.2
101.02464	2.9
106.98064	4.8
122.97565	3.9
125.02434	3.3
134.97574	4.0
136.99176	1.8
139.50984	1.1
148.99121	4.3
152.98619	6.0
152.99673	2.2
164.98628	10.4
170.71588	1.2
181.31020	1.2
182.99667	3.1
206.99596	3.3
225.00726	17.3
255.23271	3.0
266.43842	1.2
299.04388	3.2
517.16498	2.0
555.28418	100.0
556.28857	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	555.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01972	0.4
59.01378	100.0
60.01706	0.5
64.23616	0.4
65.25220	0.4
71.28911	0.7
75.00880	2.7
88.94191	0.3
103.00377	4.6
103.01495	91.3
106.73980	0.3
153.88783	0.4
261.27570	0.4
345.41293	0.4
372.57474	0.4
451.32782	0.9
576.15753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49430	1.4
57.03448	37.3
58.63021	1.4
59.01379	40.2
61.98828	100.0
70.02998	1.3
71.01379	16.0
71.60358	1.5
73.02946	18.0
73.04082	1.7
73.90088	1.3
75.00875	2.4
78.62375	1.3
81.03444	1.6
83.01401	4.1
84.30699	1.5
85.02949	3.8
87.00904	2.1
89.02456	10.0
95.01402	1.4
96.00933	3.2
97.02991	2.0
99.04516	51.1
101.02439	28.2
113.02444	12.6
116.92850	1.6
119.03532	7.1
123.04514	10.9
125.02444	25.6
127.05167	1.5
129.06691	3.6
129.10355	1.6
130.08714	2.3
131.03493	2.7
143.03500	5.0
144.07794	1.8
149.04520	3.4
153.05569	2.2
161.04546	15.7
179.05623	6.8
179.08301	1.8
186.08810	4.3
203.05539	1.6
210.16228	1.5
210.30637	1.4
221.06700	5.5
222.12321	1.3
222.71103	1.4
263.07483	1.6
291.46982	1.4
311.05853	2.3
323.09921	8.7
346.23779	5.0
347.24258	8.7
348.24576	4.3
369.84753	1.5
381.36148	1.5
441.58063	1.5
449.23807	2.0
478.19464	1.7
493.22855	33.4
494.22849	2.3
524.19385	1.5
556.33087	6.5
557.13153	5.9
557.33191	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	556.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
61.98812	1.9
65.00937	1.1
71.01376	1.8
78.95922	1.8
89.02429	2.5
100.18867	1.4
101.02467	2.5
102.03957	1.3
108.97430	1.1
113.02444	1.7
235.08179	2.2
240.34926	1.3
242.08279	1.3
253.09283	19.8
277.21729	100.0
278.22119	3.9
279.23303	32.5
280.23511	3.0
281.23938	3.1
348.96326	1.2
410.44171	1.4
504.30948	14.3
506.31345	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	556.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.6
64.50502	1.7
70.38455	2.8
71.01406	1.3
89.02435	2.6
98.21865	1.6
101.02441	3.5
132.26842	1.3
196.02507	1.4
217.21109	1.3
235.08212	2.4
247.94701	1.2
253.09286	14.2
277.21710	100.0
278.22015	3.1
371.79318	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60617	1.0
55.07562	1.0
57.03455	1.8
67.01891	1.0
70.84451	1.3
78.95893	2.5
83.78037	1.1
85.02956	12.0
85.52509	1.0
86.11448	1.1
87.00874	24.2
89.02378	1.0
93.98775	1.1
96.96944	1.7
98.35430	1.1
111.00881	68.2
128.98643	2.5
129.01927	2.6
131.08232	1.7
170.99660	3.7
173.00905	2.3
173.10406	1.8
175.52797	1.0
191.01970	100.0
213.00015	2.6
214.04803	1.5
232.98802	2.5
274.99942	2.9
278.17633	1.1
377.02921	2.0
395.03885	1.9
458.95587	1.1
475.67801	1.1
494.04083	1.0
557.09491	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	557.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55564	27.4
54.16070	25.9
59.01382	38.7
61.98821	47.1
69.16991	100.0
69.17401	50.0
73.09124	30.9
77.73803	25.6
85.60924	29.6
89.02433	30.9
98.21852	47.2
105.00022	26.4
113.27052	29.6
199.84203	26.8
205.32973	30.2
329.13919	99.2
477.10565	28.4
519.23999	48.3
521.19904	64.1
530.53064	39.1
557.22198	79.4
557.32843	31.1
575.35614	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03610	1.0
55.72895	0.9
59.01377	100.0
61.98847	1.5
62.59839	1.0
66.22834	1.0
69.21251	4.7
70.03897	1.0
75.00887	1.6
84.95171	1.2
85.00446	4.4
91.03999	2.4
92.97984	0.9
96.51695	1.0
98.22626	2.3
100.43015	1.1
103.00402	2.9
103.01496	83.5
293.21136	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	557.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
70.77261	1.5
71.43050	1.0
73.02943	4.2
76.67744	1.0
78.95909	1.8
83.17271	1.1
90.34149	1.1
92.32928	1.1
95.23934	1.0
96.96026	2.3
116.92890	1.3
117.01940	8.6
117.03907	1.1
120.94389	1.3
131.08267	53.3
156.07785	3.5
173.10434	100.0
196.05827	1.7
208.93239	1.3
209.08105	71.6
215.14064	1.6
347.21582	2.2
383.04337	1.4
383.19296	5.5
465.94189	1.2
584.28699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	1.8
59.01299	3.3
60.37096	0.5
61.98750	5.9
65.68113	0.5
69.14323	1.0
69.14731	1.9
71.01311	0.8
73.02876	0.9
74.23697	0.5
79.67622	0.5
83.01334	0.6
85.13984	0.5
89.02390	1.0
96.95955	1.0
99.04442	1.9
101.02352	1.3
113.02365	0.7
125.02351	1.4
161.04395	0.6
177.79008	0.5
195.41145	0.5
216.52066	0.5
251.16547	0.8
277.18140	0.5
313.23782	2.3
341.27075	0.8
357.26416	1.7
359.28003	100.0
360.28323	4.0
542.18964	0.6
557.31171	18.4
558.31982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3099
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
54.16670	2.0
57.03447	15.2
59.01377	26.9
61.98832	18.7
69.32286	7.9
71.01385	9.6
73.02975	2.9
82.95384	1.9
85.02943	2.6
87.00894	2.7
89.02448	6.2
99.04501	14.6
100.80601	2.2
101.02454	10.0
111.11147	2.2
113.02422	3.7
114.35125	2.0
125.02436	5.7
130.08774	2.4
140.84288	1.9
143.03525	2.4
144.33902	2.2
161.04594	3.7
172.96718	2.0
195.54254	2.3
280.67273	2.2
319.44870	2.1
387.65283	1.9
405.45432	2.0
413.21637	3.5
462.14182	1.9
471.08719	2.1
521.33240	29.0
557.13098	6.9
557.31000	100.0
558.31287	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	557.31
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	18.3
59.01380	23.1
61.98836	14.9
71.01373	8.4
73.02953	6.5
78.95866	1.8
82.95435	2.0
83.01391	3.1
85.02937	4.4
87.00877	1.8
89.02447	7.0
96.96017	1.8
99.04524	17.9
101.02438	15.4
113.02444	4.8
125.02438	9.4
143.03532	2.2
143.33884	1.7
161.04559	4.2
297.07864	3.0
305.88586	1.7
311.05765	3.1
353.06598	3.0
413.21927	4.3
431.95752	1.7
455.09857	2.5
521.33313	28.5
522.34509	2.1
557.13141	9.9
557.31116	100.0
558.31317	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25818	0.2
59.01381	0.9
61.98832	100.0
78.95921	1.2
81.53935	0.3
90.54952	0.3
90.75403	0.4
103.83074	0.3
116.92837	0.4
147.11906	0.3
152.99706	0.4
226.72968	0.3
237.18472	0.3
255.23286	1.8
256.23645	2.2
257.24069	1.1
258.24191	0.8
279.23303	0.5
480.31073	1.0
482.31833	1.0
483.31802	1.9
551.75934	0.4
557.31677	0.6
565.77063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84900	0.1
55.46914	0.1
56.59178	0.1
57.03442	1.3
58.65200	0.1
59.01374	1.6
61.98827	100.0
68.19517	0.1
69.30648	0.8
71.01392	0.4
73.02943	0.5
85.02981	0.4
85.85727	0.1
87.00916	0.2
87.78663	0.1
89.02469	0.4
99.04515	1.2
101.02442	0.9
113.02486	0.4
119.03609	0.2
125.02467	0.5
143.03561	0.2
251.16541	0.2
252.16940	0.3
558.14038	0.2
558.31311	0.6
559.14276	0.2
559.31824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63203	0.7
57.03424	0.9
59.01373	1.7
69.59972	1.6
69.60347	1.5
70.33848	0.6
71.01369	1.7
73.04050	3.3
74.02460	4.2
82.02968	3.2
89.02383	0.7
89.16121	0.7
90.01035	0.7
96.96020	1.3
98.02480	0.9
99.01995	0.9
99.04531	0.7
100.04050	1.6
101.07208	1.4
102.05596	2.0
109.04073	1.4
112.04036	1.0
116.07169	2.4
121.02982	0.7
127.05147	7.2
127.08735	0.9
128.03545	55.1
129.10326	3.8
130.08707	6.0
136.11322	0.8
137.07143	1.1
139.08746	1.3
140.07118	1.7
141.06685	0.7
142.05083	0.8
143.11835	0.8
145.06143	1.9
146.04596	1.6
151.08751	1.3
155.08246	2.6
164.09569	0.6
165.00114	1.2
165.05423	0.9
169.09802	1.5
172.09773	6.4
179.11916	5.3
180.10330	3.3
183.11372	2.1
186.12491	2.4
187.10872	1.2
195.11333	0.8
196.10904	1.1
196.14659	1.0
209.09384	1.2
214.15604	1.7
222.12502	12.5
223.10820	2.6
227.10263	1.5
235.09885	0.9
240.13518	6.8
241.11861	1.3
252.17163	0.9
254.15149	0.8
258.14545	5.7
297.15732	2.3
316.15039	2.7
335.20746	2.2
353.22000	1.6
359.02139	1.3
389.03220	1.9
397.21021	4.1
429.23456	2.8
479.06552	5.8
540.26678	5.1
558.27747	100.0
559.28027	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	558.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63203	0.7
57.03424	0.9
59.01373	1.7
69.59972	1.6
69.60347	1.5
70.33848	0.6
71.01369	1.7
73.04050	3.3
74.02460	4.2
82.02968	3.2
89.02383	0.7
89.16121	0.7
90.01035	0.7
96.96020	1.3
98.02480	0.9
99.01995	0.9
99.04531	0.7
100.04050	1.6
101.07208	1.4
102.05596	2.0
109.04073	1.4
112.04036	1.0
116.07169	2.4
121.02982	0.7
127.05147	7.2
127.08735	0.9
128.03545	55.1
129.10326	3.8
130.08707	6.0
136.11322	0.8
137.07143	1.1
139.08746	1.3
140.07118	1.7
141.06685	0.7
142.05083	0.8
143.11835	0.8
145.06143	1.9
146.04596	1.6
151.08751	1.3
155.08246	2.6
164.09569	0.6
165.00114	1.2
165.05423	0.9
169.09802	1.5
172.09773	6.4
179.11916	5.3
180.10330	3.3
183.11372	2.1
186.12491	2.4
187.10872	1.2
195.11333	0.8
196.10904	1.1
196.14659	1.0
209.09384	1.2
214.15604	1.7
222.12502	12.5
223.10820	2.6
227.10263	1.5
235.09885	0.9
240.13518	6.8
241.11861	1.3
252.17163	0.9
254.15149	0.8
258.14545	5.7
297.15732	2.3
316.15039	2.7
335.20746	2.2
353.22000	1.6
359.02139	1.3
389.03220	1.9
397.21021	4.1
429.23456	2.8
479.06552	5.8
540.26678	5.1
558.27747	100.0
559.28027	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	558.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.7
62.96386	0.7
69.16034	3.3
78.95899	10.3
115.29626	0.6
122.00131	0.7
140.01184	2.4
152.99619	1.0
196.03806	3.2
214.04895	2.3
279.23282	100.0
280.23611	4.3
356.06113	0.7
372.70435	0.6
476.27817	38.5
477.28180	2.5
477.63663	0.8
558.27069	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	558.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23553	0.5
61.98814	0.6
62.96395	0.7
69.19055	1.9
69.19453	1.2
78.95901	34.2
90.83530	0.5
98.21916	1.0
122.00104	1.4
135.69882	0.5
140.01186	7.6
152.99570	2.6
196.03789	14.8
202.28745	0.6
214.04846	2.6
261.22372	0.8
279.23279	100.0
280.23679	3.6
476.27786	64.9
477.28043	3.1
519.50952	0.7
558.27136	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	558.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36559	1.2
50.81504	1.3
55.60089	1.3
59.01375	3.3
61.98828	2.8
70.99237	1.5
71.01358	1.6
78.95908	4.9
82.74296	1.3
86.77287	1.3
87.25783	1.3
89.02424	1.9
101.02478	1.8
107.78996	1.3
137.65500	1.3
228.24258	1.5
235.08316	2.3
253.09296	13.5
279.23300	100.0
280.23569	4.5
281.24890	16.1
288.64078	1.3
419.09100	1.6
506.32614	7.3
558.28711	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	558.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70260	1.6
59.01368	3.6
61.98819	5.5
67.35871	1.5
70.50700	2.2
71.01379	2.9
79.84158	1.4
89.02435	2.8
97.66624	1.3
98.22132	3.0
101.02437	3.1
102.29372	1.3
107.91661	1.5
148.14803	1.4
211.16241	1.5
253.09319	14.3
279.23288	100.0
280.23639	3.6
281.24820	4.5
373.23212	2.0
403.37988	1.4
471.80035	1.8
506.32486	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	559.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23701	1.6
55.77011	1.3
56.42251	1.3
57.03448	100.0
59.01379	94.3
61.98826	12.1
68.42390	1.2
69.51552	4.2
71.01379	30.0
71.01777	1.8
73.02947	18.3
75.00848	2.3
78.79646	1.4
81.03448	2.7
82.95450	3.0
83.01382	6.8
85.02957	9.3
87.00887	3.7
89.02441	19.4
95.01388	2.3
96.96039	2.4
97.06611	1.7
99.00887	1.9
99.04518	83.0
101.02441	45.0
105.01923	1.9
113.02457	16.7
119.03503	10.4
121.06319	1.4
123.04568	7.3
125.02439	33.0
128.93102	1.4
129.88339	1.5
139.64885	1.4
143.03516	5.1
149.04568	3.0
161.04517	9.3
165.61069	1.5
179.05630	6.0
223.01389	1.6
383.07501	1.6
397.22198	7.7
415.23471	22.8
457.24313	6.6
473.11066	2.4
482.65094	1.7
520.26379	1.6
559.14349	4.0
559.27271	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	559.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
59.01379	96.5
61.98823	17.0
62.91763	1.8
70.14135	1.9
71.01374	33.5
71.45020	2.7
72.99300	1.8
73.02931	13.7
75.00874	1.9
81.03454	2.8
82.16055	1.8
83.01388	5.3
85.02954	10.1
85.32434	1.8
85.90538	1.7
87.00876	4.6
89.02438	27.7
95.05042	2.3
97.06583	1.7
99.00872	3.2
99.04515	84.5
101.02441	41.5
113.02457	18.3
113.06010	2.0
113.64954	2.1
119.03497	12.8
120.56070	2.0
123.04546	2.3
125.02454	34.8
143.03523	4.5
161.04585	13.9
177.03363	2.0
179.05621	8.3
209.11914	2.6
397.22302	12.3
415.23413	36.3
457.24377	7.1
523.34900	14.0
555.00732	2.3
559.26013	19.8
559.33154	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	559.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.22766	1.6
61.98808	3.4
62.11941	1.6
75.00899	1.8
93.00989	1.6
103.00388	3.6
103.01501	86.8
109.12803	1.6
131.07135	13.0
208.19463	1.7
255.80150	1.9
323.22394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	14.9
62.34480	6.4
71.11936	7.4
78.95887	7.5
79.56512	6.4
103.15586	5.7
117.58119	6.4
132.29506	7.6
150.07729	6.9
193.80992	6.4
277.21707	100.0
363.27832	6.2
502.29572	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29016	2.9
57.02341	3.1
61.98818	10.0
65.51430	3.0
71.11314	3.3
72.44892	2.9
78.95905	26.2
152.99580	4.9
186.72403	3.1
197.92393	3.5
207.62820	3.1
224.06921	8.9
233.67268	4.2
242.08073	3.6
277.21710	94.3
278.21896	3.7
492.76428	3.6
502.29388	100.0
502.36691	5.5
503.29935	4.4
576.28174	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	559.3262
Annotation	Montanin
Peak:m/z	Relative Intensity
57.03448	71.7
59.01381	100.0
61.98836	24.3
71.01385	26.4
71.10151	2.8
73.02964	12.6
75.00869	4.8
83.01381	5.0
85.02946	9.5
87.00875	4.5
89.02440	22.7
95.01385	2.3
96.00944	4.0
99.00923	2.4
99.04521	78.6
100.51588	2.1
101.02451	39.1
113.02458	14.0
119.03495	8.2
121.02929	8.7
123.04573	2.7
125.02464	28.8
128.03523	2.2
130.38168	2.7
143.03487	6.1
157.85280	2.1
161.04546	7.8
179.05635	5.5
256.18671	2.6
277.51880	2.1
397.22168	4.2
399.27750	2.1
415.18839	4.2
415.24222	11.4
457.24612	2.9
521.33289	2.7
523.34686	13.4
559.14349	2.7
559.32843	62.1
560.31433	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	560.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33020	8.1
51.62626	6.2
55.61815	6.9
59.01105	11.3
59.01379	100.0
61.98826	20.7
70.46648	17.3
71.01377	58.6
73.02956	8.3
85.02946	12.2
89.02428	77.9
95.01407	8.1
98.22266	11.8
101.02428	45.9
113.02460	22.5
114.02745	7.4
116.92870	11.5
119.03486	26.8
122.09389	6.9
125.02449	28.3
126.70456	7.9
129.22168	7.2
131.03494	6.8
161.04517	16.7
163.04018	28.3
178.06377	16.6
179.05621	15.5
193.08653	10.3
221.06589	22.5
323.09720	67.4
495.21152	9.4
495.28131	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	560.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
59.01377	4.9
61.98829	100.0
63.99251	0.7
69.07540	1.0
69.07959	1.9
71.01383	1.6
73.02921	0.6
82.95425	0.4
83.01393	0.5
85.02982	0.6
89.02451	1.6
90.93108	0.5
99.04535	2.0
101.02454	2.1
111.97404	0.4
113.02473	0.6
125.02476	1.0
161.04634	0.4
175.02524	0.6
191.73839	0.5
201.07596	0.5
264.17896	0.4
418.73032	0.5
487.51208	0.5
560.15070	0.6
560.32068	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	560.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.1
61.98824	34.4
69.11145	62.2
84.40624	8.4
89.02454	10.8
101.02439	12.6
103.73765	10.3
149.04462	9.0
170.12936	9.4
214.63261	9.1
234.38297	10.3
273.18576	9.0
287.18588	9.4
316.13718	10.2
362.26920	55.3
376.42923	9.0
408.37387	9.9
421.22253	9.2
469.96606	9.9
511.96951	10.4
560.30060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71520	1.4
59.01374	3.2
61.98815	1.8
72.85125	1.4
78.95914	6.3
82.14094	1.4
84.92120	1.5
101.02431	3.6
110.98576	1.9
153.70097	1.5
167.01181	4.4
235.08284	3.7
253.09276	12.7
254.93459	1.7
255.40556	1.7
281.24854	100.0
282.25259	3.7
333.27823	1.6
367.70624	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18873	6.9
57.20809	6.1
59.01377	6.4
69.12706	29.9
71.01388	6.9
78.95907	29.5
89.78872	5.7
92.33252	6.7
98.21876	14.3
111.45845	5.7
152.99606	16.9
160.00786	5.5
167.01205	7.4
169.50848	5.9
222.20853	6.5
253.09074	14.0
256.23557	7.3
281.24792	100.0
310.10428	7.1
330.20926	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	561.1401
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
51.97419	1.4
59.01373	4.6
61.98826	1.8
65.14532	1.4
71.36194	1.5
78.95901	1.9
120.40363	1.5
121.35677	1.6
126.42120	1.5
315.06772	1.5
357.07840	2.9
369.07510	12.5
370.08154	2.5
380.06918	1.8
381.07727	2.4
383.05591	4.7
384.06284	4.5
385.07068	13.4
395.09262	2.0
397.11066	2.1
398.07874	17.1
398.12146	2.0
412.09387	7.5
413.10263	21.3
414.11182	2.7
424.09497	5.4
428.09033	16.3
439.11710	5.3
457.12878	29.0
517.15240	13.4
518.39221	2.1
561.13989	100.0
562.14197	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00593	0.8
59.01377	77.7
60.01723	0.4
65.78939	0.5
69.03450	0.5
70.65438	0.8
71.01379	48.8
72.99306	1.6
73.02943	23.8
81.07069	0.4
83.01376	0.7
85.02947	4.5
89.02443	100.0
97.02950	1.2
99.00877	38.5
99.04523	2.0
101.02441	40.8
111.04465	0.5
113.02457	5.8
119.03445	3.1
125.02442	5.1
131.03499	20.3
143.03516	1.6
149.04552	86.6
150.04921	0.7
159.39902	0.5
161.04558	3.5
161.13373	7.6
166.72104	0.6
187.11313	0.8
191.05608	19.5
191.07327	1.0
205.12331	17.9
221.06700	5.0
249.11296	16.9
250.36029	0.5
251.07716	10.7
277.21295	0.6
293.08688	1.2
311.09674	2.5
385.30887	0.5
486.25946	0.6
517.22888	21.1
518.23132	0.8
561.21838	23.6
562.22290	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	561.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	53.6
57.20117	10.4
58.17038	11.8
59.01370	100.0
71.01376	31.2
73.02950	34.1
77.36119	11.3
84.00843	9.8
88.25717	10.1
89.02441	40.9
90.60841	10.4
98.46094	10.5
99.04488	51.3
101.02451	45.4
113.02451	13.0
119.03532	21.6
123.04548	15.1
125.02461	30.2
179.05637	10.5
193.05023	26.8
205.13470	11.1
207.10257	21.2
399.16342	19.9
417.17706	34.3
438.25613	12.1
561.21912	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	60.3
59.01379	100.0
69.03447	2.5
70.64317	1.7
70.80460	2.0
71.01378	37.1
73.02944	36.4
73.03355	2.3
75.00873	3.4
75.27952	1.7
79.05551	2.0
80.37529	1.7
82.14449	1.7
83.01391	9.3
83.05016	2.5
85.02955	6.3
87.00878	5.7
89.02444	34.5
95.05018	2.3
97.02946	3.6
99.04518	23.0
101.02445	52.6
104.23012	1.6
107.93762	2.0
113.02435	21.3
113.06094	2.4
119.03511	16.2
123.04511	14.3
125.02439	15.1
128.80237	1.8
131.03499	3.0
134.54614	1.6
135.08228	1.8
137.06081	2.9
141.05544	4.2
143.03481	4.5
144.05800	6.4
149.04536	2.1
149.09691	5.0
151.07716	4.0
159.08148	4.4
161.04536	12.1
161.05792	3.0
161.09714	43.8
165.09192	4.9
173.09680	7.2
175.07642	4.6
177.09183	17.9
179.05605	10.9
179.07152	19.1
185.05972	2.6
191.10692	5.5
193.08672	5.0
201.09200	27.5
207.10336	2.8
211.66685	1.6
219.10246	42.3
221.06657	7.2
237.11276	2.5
366.59241	2.2
381.15533	34.0
399.16522	3.8
417.17529	13.0
423.16614	23.3
463.19666	3.9
561.21881	85.7
562.21954	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	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20569	1.0
61.98828	43.0
68.86459	0.8
78.95903	23.1
82.95404	1.5
104.88102	0.8
108.90881	0.8
116.78511	0.7
122.00102	1.0
132.72968	0.7
134.98575	0.9
140.01157	4.4
145.77187	0.8
152.99586	2.8
159.27159	0.8
168.04243	0.8
196.03816	8.5
200.60954	0.9
214.04877	1.3
224.06923	3.1
238.48474	0.9
242.07816	0.8
279.23291	100.0
280.23691	4.3
313.30951	0.9
433.62640	0.9
448.89377	1.0
476.27817	38.0
476.34662	1.8
477.28012	1.6
500.20337	1.1
504.30908	30.7
544.96295	0.9
561.25519	17.8
561.34106	1.0
562.25714	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	561.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54705	1.3
55.64162	1.7
61.98819	1.5
68.97290	1.7
70.65683	2.0
78.95895	21.7
92.43573	1.3
96.64222	1.6
104.83327	1.7
152.99612	3.9
168.04297	2.6
184.92598	1.7
224.06946	8.4
225.99091	1.6
242.08061	2.3
279.23276	100.0
280.23627	3.7
356.79816	1.7
477.46716	1.7
491.71426	1.8
504.30939	94.8
505.31320	5.4
561.32861	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	561.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.6
66.96240	0.5
69.16001	2.8
78.95901	5.5
94.11404	0.4
148.03259	0.5
152.99596	2.9
168.04350	0.7
175.07025	0.4
212.03200	0.6
224.06946	1.0
242.08009	2.3
261.22232	0.7
279.23279	100.0
280.23502	2.5
291.03406	0.5
476.27896	0.6
504.30948	48.1
505.31259	1.9
561.33160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
70.53689	0.7
80.01501	0.8
111.08208	1.6
117.41122	0.7
139.04037	0.7
165.12831	19.3
178.97186	0.7
183.13893	100.0
184.14256	2.5
209.11823	6.5
227.12854	9.2
277.21710	64.7
278.22058	2.9
283.15427	1.8
300.71783	0.9
301.16537	8.5
364.96069	0.9
432.58823	0.8
466.60181	0.7
561.37653	13.0
562.38562	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	562.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42560	6.7
52.31052	6.3
61.98832	9.1
69.34127	33.5
145.59610	6.8
163.80319	7.2
270.78940	9.5
295.06070	9.0
297.07645	17.1
327.12320	7.4
339.12570	10.5
353.06485	34.8
365.06796	12.1
370.48383	7.3
383.07590	29.2
394.52161	8.5
473.10416	7.2
563.14117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	27.0
67.19510	7.3
69.09193	43.9
71.01383	34.2
78.12648	5.7
78.44747	5.9
89.02436	33.4
97.49991	6.5
101.02459	12.6
111.74286	7.3
113.02460	10.2
119.03506	12.6
131.32759	8.3
136.01662	39.8
151.04001	64.8
179.05630	12.1
258.34869	8.0
263.07050	9.0
281.08090	12.4
286.66382	7.6
309.07727	47.7
319.01068	8.2
324.09885	20.1
339.12360	53.7
342.11087	11.7
353.06284	14.1
357.13434	100.0
562.29590	7.8
563.13898	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55952	3.6
69.09000	10.7
69.09406	16.0
71.01369	5.8
72.27566	3.8
73.27158	3.7
75.15026	3.6
104.10179	4.9
121.03033	4.8
136.01656	40.9
151.03993	81.7
226.44617	4.1
231.66556	4.4
269.04483	4.4
312.29337	4.6
353.06503	12.3
357.13431	100.0
358.13535	5.0
383.07477	4.9
563.14020	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62637	0.9
59.01369	1.8
61.98822	4.2
69.71710	2.2
69.72101	1.8
71.85564	0.9
78.95903	7.2
103.01501	2.4
103.25475	1.0
135.99773	0.9
136.33505	0.8
140.01219	2.7
165.12781	1.9
171.59058	1.0
196.03796	1.9
199.13388	24.4
214.04825	2.9
248.40697	0.9
263.20288	1.3
279.19849	1.8
297.07715	1.9
303.42349	1.0
325.07184	1.5
347.25870	6.8
353.06558	4.1
365.06689	1.1
365.26929	100.0
366.27362	5.0
383.07849	4.9
385.06870	1.5
386.07291	1.5
414.10632	1.7
443.09763	1.1
458.13602	1.9
476.75586	1.1
518.15540	1.4
553.67786	1.1
562.14453	6.2
562.31488	27.1
563.13983	13.9
563.32489	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	562.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
61.98812	3.4
70.65314	1.3
74.27869	0.9
74.50106	1.0
78.95902	34.4
83.05012	1.0
83.63147	1.0
85.06577	2.3
122.00137	1.2
140.01183	9.5
152.99536	1.7
165.12794	1.1
196.03795	14.0
199.13383	16.6
214.04858	4.2
261.18686	1.0
279.19681	12.4
286.46884	1.1
295.06052	1.0
297.07697	2.9
347.25867	6.6
353.06619	3.5
365.26941	100.0
366.27371	5.3
370.08096	1.8
383.07776	3.5
385.06540	1.6
386.07443	1.5
396.09714	1.1
413.09500	1.4
414.10709	2.2
429.09116	2.4
443.10049	1.5
457.12640	1.1
458.13403	4.2
518.15228	2.4
562.14319	15.0
562.31488	77.6
563.14032	15.7
563.31799	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54014	0.6
57.66773	0.6
69.45377	2.0
93.03468	1.1
98.21925	1.0
117.03480	5.3
119.05003	1.0
121.02901	0.7
122.19751	0.6
127.79445	0.7
133.06635	0.7
135.04495	2.8
137.36351	0.6
149.02451	0.7
159.04538	0.9
161.02417	2.2
161.05981	0.8
163.03995	2.2
175.04019	1.7
177.01917	0.9
177.05588	1.4
189.01816	0.8
191.03491	2.0
196.56117	0.7
203.03532	1.9
226.48648	0.6
227.03453	0.9
233.04665	0.9
244.49620	0.6
267.06625	1.3
268.07449	1.3
281.04413	1.0
282.05383	2.6
283.06076	3.6
295.06094	5.8
296.06900	5.1
297.07703	19.3
298.08047	1.0
307.06104	2.9
309.07681	2.5
311.05624	4.3
323.05664	5.3
324.06418	1.3
325.07162	10.4
328.05896	2.1
335.05618	1.6
337.07120	2.6
353.06665	44.8
354.06964	1.6
355.08023	1.7
356.05270	0.8
365.06744	5.9
379.07925	0.8
383.07748	36.2
384.08078	1.4
395.07767	3.5
401.24329	0.7
407.07263	0.9
413.08798	4.7
425.08862	3.4
443.09842	8.0
473.11050	8.9
503.11697	3.3
545.12628	2.1
563.14063	100.0
564.14362	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10784	0.9
65.88983	1.0
69.79681	2.8
69.80003	1.0
71.01378	1.3
72.21277	1.0
72.66240	0.9
80.78976	0.9
93.03440	3.7
117.03451	8.0
119.05012	1.7
119.99772	1.0
132.81032	1.2
135.04512	4.7
147.04491	1.2
149.02470	1.5
149.06104	1.5
159.04509	1.2
161.02470	3.0
163.03958	2.6
169.66179	1.1
175.04021	2.0
177.01901	1.7
177.05560	2.5
191.03448	1.4
203.03462	2.0
212.86436	1.2
233.04417	1.5
267.06671	1.6
268.07278	1.4
281.04645	1.8
282.05356	3.6
283.06052	4.3
295.06149	7.5
296.06879	6.6
297.07690	24.6
298.07916	1.1
307.06219	2.2
309.07626	4.0
311.05627	4.8
323.05701	6.8
324.06366	2.5
325.07175	11.4
328.05734	2.1
335.05548	1.3
337.07181	6.2
353.06674	57.2
354.07144	1.7
365.06622	7.5
383.07715	41.7
384.07889	1.2
395.07846	5.1
397.09189	1.2
407.07599	1.1
413.08911	6.4
425.08572	3.5
443.09766	12.8
473.10828	10.8
482.38840	1.1
503.11652	1.6
563.14020	100.0
564.14258	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43847	0.5
55.93710	0.4
59.01365	1.3
59.32615	0.4
61.98831	0.6
69.57648	2.1
71.01330	0.6
71.95718	0.5
73.02937	0.7
91.05552	0.6
93.03452	1.1
98.22613	1.0
99.73798	0.4
117.03461	5.2
135.04500	2.1
139.99094	0.5
140.02402	0.5
147.04443	0.7
149.02400	1.6
159.04514	0.7
161.02509	2.3
163.03954	1.9
175.03928	1.9
177.05527	1.4
179.03461	0.6
189.01967	0.9
189.05528	0.6
191.03462	2.6
203.03514	1.0
205.01324	0.7
205.04939	0.6
217.05072	0.6
221.04503	0.7
224.08330	0.6
225.05553	0.5
227.03423	0.6
231.48775	0.5
233.04448	1.0
245.04393	0.6
248.15474	0.5
251.07185	0.5
253.08580	0.8
267.06546	0.8
268.07327	1.1
269.04465	0.6
281.04599	0.6
282.05350	2.0
283.06094	3.2
293.04358	0.5
295.06171	5.6
296.06894	4.2
297.04309	1.1
297.07648	17.1
298.07996	0.7
305.04507	0.6
307.06110	2.7
309.07620	2.7
311.05563	3.0
323.05673	5.1
324.06479	0.9
325.07193	7.5
328.05798	2.2
335.05475	2.1
337.07175	4.2
341.06482	0.8
341.12219	0.5
351.05185	0.7
353.06641	34.3
354.06885	1.6
355.08182	1.6
356.05508	0.8
365.06610	6.2
379.08179	0.7
381.06189	0.6
383.07706	25.1
384.08151	0.8
395.07764	2.5
407.07529	1.3
413.08878	4.9
419.19501	0.8
425.08838	3.5
443.09839	11.0
444.10156	0.6
473.10864	4.9
503.11899	1.5
545.13019	1.1
563.14001	100.0
564.14349	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	563.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01107	2.1
59.01379	22.7
60.99305	7.5
71.01379	6.7
71.15450	1.4
72.99304	70.9
73.02937	2.0
74.00095	6.1
75.00871	9.4
75.28382	1.3
76.36571	1.3
82.97737	1.3
87.00864	2.1
89.02445	80.9
105.01919	13.4
115.00359	15.0
117.01957	11.3
133.01434	100.0
133.03004	3.7
143.03519	1.7
145.01436	27.3
147.02992	2.1
150.91718	1.6
161.02412	6.7
179.03491	2.9
221.03017	32.5
244.56960	1.7
321.72556	1.5
341.08777	5.5
401.29810	1.6
402.68921	1.6
437.65915	1.7
563.13885	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	563.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93309	6.6
58.04836	6.8
59.01377	100.0
60.85890	7.6
70.47672	7.7
71.01384	46.3
71.69753	6.4
73.02949	8.4
89.02441	50.6
99.04527	8.8
101.02433	23.1
102.04211	5.9
113.02441	24.3
119.03545	20.5
125.02446	7.9
143.03500	9.9
161.04596	17.1
177.39328	6.4
179.05588	86.6
287.58826	7.6
310.01971	7.1
468.80737	7.0
563.14233	13.1
563.23273	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05686	4.1
55.19852	4.5
57.03448	66.5
59.01376	100.0
67.04848	4.8
69.76655	7.9
71.01387	40.9
73.02950	34.0
81.03419	5.3
83.01411	13.7
85.02951	9.1
89.02442	30.5
96.95966	5.2
98.21932	7.1
99.04516	91.4
101.02444	60.0
113.02435	22.8
119.03481	14.3
123.04536	10.9
125.02448	48.7
137.09807	5.2
143.03555	6.4
151.18304	4.6
161.04570	13.2
179.05641	14.1
182.60440	4.7
188.28961	4.8
192.93784	4.6
203.10783	7.2
221.11780	8.6
255.27055	4.7
278.87500	5.5
295.06104	6.8
297.07675	14.0
353.06607	26.7
383.07700	26.2
401.18069	7.5
413.08871	6.5
419.19232	21.0
443.09872	6.1
461.20206	11.7
563.13989	77.8
563.23572	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	56.9
58.00574	1.1
59.01378	79.2
64.99694	1.0
69.49023	2.1
69.49403	3.4
71.01381	28.4
73.02943	25.8
75.00882	1.0
75.52974	0.9
79.05557	1.9
81.03458	4.0
83.01383	7.2
85.02957	6.4
87.00883	3.1
89.02439	22.8
89.46651	1.2
91.05537	10.6
93.03471	1.7
95.01366	1.9
97.02951	1.2
98.22556	2.1
99.04517	64.7
101.02441	44.6
101.03102	2.3
113.02451	14.8
113.06067	2.7
117.03490	4.7
119.03513	12.0
119.05047	1.2
119.08691	1.8
121.06599	1.4
123.04519	7.6
125.02448	39.0
125.06163	1.1
131.03474	3.3
131.05092	1.4
133.03055	1.1
135.04517	2.3
137.09709	4.4
141.05556	1.4
143.03464	6.4
149.04543	3.1
161.02487	2.0
161.04599	9.6
163.04001	10.5
165.09262	1.5
173.15901	1.1
177.02034	1.7
177.05557	1.9
179.05577	8.1
179.10831	1.5
188.08466	3.1
189.01764	1.1
191.03404	2.2
203.03543	2.1
203.05592	1.0
203.10796	3.0
220.18022	1.2
221.06638	3.2
221.11821	6.5
235.08067	1.5
281.04721	1.5
282.05194	2.6
283.06152	5.4
295.06125	4.7
296.06873	4.2
297.04346	1.4
297.07657	19.6
298.07858	1.4
307.06165	2.1
309.07617	1.6
311.05573	2.7
323.05615	3.8
324.06128	1.6
325.07214	6.8
328.05640	1.8
337.07089	3.6
339.14130	1.0
341.06873	1.2
353.06635	39.6
354.06873	1.9
355.08463	1.8
356.05478	1.4
365.06549	5.7
383.07733	29.7
383.16867	3.3
395.07593	4.3
401.18164	6.9
407.07654	1.1
413.08691	4.5
419.19205	11.2
425.08853	3.3
443.09766	8.0
443.18875	2.2
461.20355	5.8
473.10675	7.0
473.70740	1.1
501.23221	1.2
503.11829	1.4
519.24347	2.0
563.14020	100.0
563.23364	29.6
564.14380	6.5
564.22491	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	563.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56947	2.8
51.65421	2.5
51.67908	2.4
59.01376	3.7
69.12844	9.0
69.13264	7.4
95.05962	2.8
98.21825	3.6
117.03416	4.6
118.89449	2.3
146.66486	2.4
183.16739	2.4
200.05734	2.7
231.88194	2.4
253.09152	3.5
283.06049	5.3
291.19702	10.4
295.06152	5.9
296.07040	3.6
297.07645	15.8
323.05463	4.0
325.07101	7.3
353.06613	35.9
365.06656	3.2
383.07712	23.9
395.07568	3.1
443.09732	10.6
473.10901	8.3
563.14050	100.0
563.26563	17.7
564.14215	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	563.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90271	1.1
58.39434	1.2
69.26307	3.8
69.26722	2.6
78.95898	18.8
85.42031	1.3
98.21948	2.3
104.71415	1.2
152.83226	1.2
152.99593	3.5
168.04315	2.1
169.47397	1.4
178.42639	1.2
224.06912	8.0
239.13034	1.3
242.07954	2.5
281.24863	100.0
282.25162	2.4
473.79993	1.5
506.32489	96.2
507.32758	5.0
563.34576	1.8
565.81628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62221	0.7
57.15187	0.7
57.96594	0.7
61.98821	1.0
70.34065	1.0
78.95899	6.5
92.08182	0.8
152.99573	3.3
168.04317	1.7
242.08006	2.4
279.23160	1.2
280.23535	3.1
281.24860	100.0
282.25214	2.6
315.84280	0.9
506.32501	46.9
506.58081	0.9
507.32568	2.3
563.34906	2.4
573.93982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68718	3.4
59.01374	100.0
61.98822	20.9
71.01379	55.8
71.41560	5.2
85.02938	5.5
87.00908	4.6
89.02440	77.9
96.95985	3.4
101.02439	31.8
113.02443	22.4
119.03499	35.1
131.03549	4.6
143.03484	11.9
149.04558	4.3
160.05222	4.2
161.04558	8.8
179.05600	28.6
188.25977	3.6
189.05496	6.5
190.06364	4.6
205.08678	4.8
269.04572	23.0
270.04874	26.2
296.10193	3.9
311.12747	3.7
341.13779	19.8
352.82809	3.8
354.07050	4.7
366.14532	3.4
384.08087	4.1
414.00961	4.2
439.15350	3.7
521.20294	28.3
564.14478	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58237	0.2
55.29666	0.2
61.77294	0.2
62.96404	0.6
70.65255	0.4
78.95904	100.0
79.95750	0.7
83.46126	0.2
85.02947	0.3
88.69658	0.3
92.01559	0.2
94.51099	0.2
96.96011	40.5
96.96961	32.3
102.05979	0.2
111.02006	7.2
111.34678	0.3
118.94218	1.3
120.96999	1.4
131.08241	0.6
132.03021	0.4
134.91586	0.6
136.94019	2.8
138.97218	0.3
138.98062	2.3
150.98013	2.6
158.92549	13.3
172.66225	0.2
173.10422	0.6
174.98004	1.0
176.93636	1.1
180.90736	0.4
192.99071	1.0
196.88156	0.3
198.90509	0.4
202.24792	0.3
211.00119	4.3
214.54085	0.3
216.90985	1.6
223.00049	0.3
232.88249	0.3
241.01175	6.5
254.85251	35.6
255.85336	2.0
270.83212	0.4
272.87454	1.4
272.95685	4.8
280.02258	1.6
292.82111	2.8
305.01700	1.1
313.97128	0.4
320.97855	1.6
323.02844	50.7
324.03091	1.1
354.78900	0.3
372.78006	10.0
373.01105	0.3
373.77667	0.4
384.98383	3.4
390.78137	12.9
391.01077	3.3
391.77817	0.6
402.99368	1.8
424.90125	0.3
428.73563	3.5
429.72910	0.4
448.92172	0.4
466.70230	0.9
466.92157	2.3
484.17453	0.3
487.85745	0.4
528.67072	0.4
546.66016	1.8
565.04669	21.3
566.05292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53858	24.2
61.98827	37.1
70.47520	48.7
89.39301	24.9
96.96026	29.3
107.78023	24.3
115.06461	25.0
142.77580	22.5
181.09134	23.3
293.21124	30.2
565.14557	100.0
565.27875	51.0
585.11609	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95300	20.5
61.98824	25.6
69.16267	100.0
69.16665	51.1
72.50690	19.8
86.65796	21.6
114.80383	19.2
115.28696	22.2
116.92924	23.2
118.53629	22.9
118.82252	21.5
237.11096	25.2
275.20630	22.1
278.98868	20.9
565.14783	74.8
565.28113	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20335	28.9
60.27773	26.4
61.98828	45.6
93.99922	28.5
100.90913	29.8
109.71372	31.8
110.92381	30.9
115.61118	29.6
128.35274	32.4
140.30893	30.6
145.35828	28.0
173.01036	28.4
176.52185	32.7
372.32928	32.2
385.08090	38.3
463.82443	34.3
478.86206	31.3
502.55090	34.3
565.14618	100.0
584.18182	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	11.2
78.95900	46.4
83.59743	7.0
94.92502	43.5
104.18980	6.5
109.78497	6.6
110.76991	6.1
116.92857	13.9
124.77258	6.6
135.17918	7.1
152.99570	38.1
184.25642	6.6
209.41536	6.8
224.06900	7.7
255.23296	100.0
279.23187	7.1
283.26364	71.6
448.69803	7.8
483.27164	90.4
508.34064	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70832	1.3
57.53923	1.1
59.01379	7.0
61.98826	29.0
63.05138	1.3
70.13213	2.6
71.01392	6.3
73.02965	1.8
89.02437	7.8
93.04552	1.7
97.26499	1.1
101.02435	3.6
113.02441	3.8
115.00354	1.9
119.03468	1.7
128.03474	1.7
132.02133	1.8
133.02962	24.7
135.04524	18.2
136.04857	2.7
145.88609	1.3
161.02444	100.0
179.03511	31.4
179.05196	2.2
203.03503	3.0
221.06641	1.7
272.06451	1.5
306.25040	1.4
315.12140	2.2
316.12595	3.2
341.08762	6.4
383.09967	1.9
443.11703	1.3
503.14069	46.3
566.16193	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	566.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70832	1.3
57.53923	1.1
59.01379	7.0
61.98826	29.0
63.05138	1.3
70.13213	2.6
71.01392	6.3
73.02965	1.8
89.02437	7.8
93.04552	1.7
97.26499	1.1
101.02435	3.6
113.02441	3.8
115.00354	1.9
119.03468	1.7
128.03474	1.7
132.02133	1.8
133.02962	24.7
135.04524	18.2
136.04857	2.7
145.88609	1.3
161.02444	100.0
179.03511	31.4
179.05196	2.2
203.03503	3.0
221.06641	1.7
272.06451	1.5
306.25040	1.4
315.12140	2.2
316.12595	3.2
341.08762	6.4
383.09967	1.9
443.11703	1.3
503.14069	46.3
566.16193	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	566.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50140	0.3
54.46021	0.3
55.37901	0.3
55.91233	0.3
59.01386	0.7
61.98827	100.0
69.18622	1.9
98.21945	0.6
105.61240	0.3
161.48354	0.3
164.04840	0.9
169.38254	0.3
179.07161	0.9
245.24477	0.3
349.75397	0.3
508.14185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98829	100.0
69.48808	2.0
71.01400	0.7
72.84713	0.4
78.95921	0.8
89.19851	0.4
98.55017	0.4
101.02426	0.4
114.86063	0.4
138.09119	0.4
163.94849	0.4
176.14717	0.4
507.35446	0.8
543.28162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21722	1.3
57.03449	3.5
59.01385	6.7
61.98818	5.9
68.99831	1.8
69.03451	1.1
69.53082	4.2
69.53484	2.8
71.01380	5.4
73.02940	2.4
81.03459	9.5
83.01395	7.5
85.02949	3.8
89.02460	1.8
91.05550	1.3
93.03469	7.3
95.01399	2.8
95.05025	3.6
97.02959	5.7
98.21971	1.5
99.04513	5.4
101.02432	3.6
107.05060	2.6
107.64146	1.3
108.02192	3.4
109.02964	2.7
111.04572	2.6
113.02441	4.7
116.92837	3.2
117.28056	1.3
119.05032	8.3
121.02979	4.1
122.03735	1.4
123.04528	15.5
125.02448	16.8
127.05116	2.8
128.03564	2.6
129.02037	1.4
132.55289	1.3
135.02975	2.4
135.04538	4.9
137.02448	9.1
137.06087	8.3
139.03987	10.8
145.06285	2.1
147.04532	3.1
149.06053	2.0
151.03964	4.5
153.05658	1.5
155.03523	2.1
161.04605	1.8
163.03996	3.6
163.07617	1.5
165.01961	2.8
165.05576	6.8
166.02765	1.8
166.06163	2.6
167.03496	28.2
170.53215	1.2
177.05515	4.2
179.03516	11.7
179.07146	2.0
181.05043	3.7
184.07208	1.3
184.11873	1.1
189.05557	8.3
191.03490	2.9
191.07156	1.5
193.05106	6.7
197.04590	8.2
205.05028	3.2
207.06660	2.3
209.02650	2.0
209.04541	26.4
219.02887	2.9
221.04561	6.8
223.06108	1.5
229.08691	2.0
235.06096	1.8
239.05646	13.1
251.05675	6.1
269.06610	4.6
273.07614	3.9
285.07587	3.0
315.08725	21.0
327.08749	10.2
345.09775	12.0
357.09799	94.2
358.10144	4.4
361.26419	1.5
362.26993	15.2
369.09842	5.4
387.10834	100.0
388.11124	2.1
399.10962	5.9
411.10907	1.6
417.11893	46.6
418.12466	2.8
429.11917	11.5
431.09686	1.7
437.73080	1.6
441.11877	2.7
447.12943	19.8
459.12872	12.3
477.14038	21.2
489.14328	6.2
489.20413	1.4
507.15005	2.7
523.18475	5.0
523.27051	1.4
531.24426	3.1
549.16217	2.9
567.16705	16.8
567.23987	1.4
567.34564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66518	2.7
57.03195	3.3
57.03448	31.5
57.70535	2.4
59.01376	37.1
61.44662	2.4
61.98821	10.5
66.70477	2.7
66.96677	2.0
68.99803	2.0
69.03450	2.3
70.27070	2.7
70.27425	4.6
71.01375	11.2
73.02943	5.1
81.03457	10.9
83.01383	12.1
85.02951	3.6
89.02441	8.2
91.62186	2.5
93.03456	6.3
94.64390	2.6
95.01386	3.9
95.05043	6.8
97.02940	10.4
98.21941	2.6
99.04517	36.1
101.02451	15.8
107.05017	3.0
109.02956	5.5
111.04498	4.0
111.35347	2.3
113.02444	9.7
119.05037	9.3
123.04523	18.7
125.02454	34.3
133.06635	3.0
135.04518	5.7
137.02458	12.3
137.06052	9.0
139.03989	11.6
147.04517	6.4
149.02364	2.5
149.06110	4.3
151.03967	3.7
161.05940	3.7
163.03984	4.5
165.01913	5.4
165.05574	11.0
166.02576	3.3
167.03490	43.3
179.03555	12.6
179.07263	2.4
180.04149	2.8
181.05040	3.9
189.05486	11.4
193.05042	7.6
196.32411	2.4
197.04549	7.1
209.04564	32.9
221.04491	9.5
239.05626	13.5
251.05621	5.0
273.07684	3.7
274.15091	2.5
315.08771	17.2
327.08783	11.6
345.09912	12.3
357.09784	100.0
358.09879	4.3
369.09848	4.7
369.19089	5.8
387.10858	95.7
387.19977	8.9
399.10739	5.1
411.10754	3.5
417.11789	36.8
418.11917	2.7
429.12097	12.5
429.21072	14.4
441.11780	3.1
447.12970	15.9
459.12842	11.4
465.56366	2.8
477.14014	24.4
488.02567	2.3
489.14087	5.5
506.18350	2.4
507.14825	3.6
523.58282	3.8
531.24414	29.8
549.16364	5.0
567.17041	15.5
567.25305	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	567.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25966	1.0
59.99603	0.9
71.01373	2.6
71.14606	1.6
74.96960	1.0
80.51768	1.0
82.35428	1.3
101.02484	1.6
108.02160	9.7
113.24043	1.0
121.02934	4.5
127.13730	1.1
158.70273	1.0
159.03102	1.1
166.75323	1.0
189.51993	1.1
207.91264	1.0
232.95653	1.1
235.62428	1.1
360.25635	2.1
361.26202	8.6
362.26981	100.0
363.27200	4.1
421.82315	1.3
444.62302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44145	1.5
61.98828	22.3
64.60385	1.5
69.36420	1.6
69.43228	5.4
71.01398	1.8
81.03466	1.8
93.03421	1.9
98.21823	2.4
101.53628	1.6
108.02167	12.5
113.02434	2.4
119.05046	2.2
121.02946	6.8
123.04519	4.0
125.02425	4.5
137.06088	2.3
139.03973	3.1
165.05447	2.4
167.03473	7.2
179.03467	3.5
189.05574	1.9
207.17645	2.3
209.04546	3.8
221.04529	1.9
239.05624	1.6
299.28381	1.8
315.08817	3.9
345.09753	4.2
357.06586	1.5
357.09845	19.1
360.25507	2.6
361.26151	17.0
362.26996	100.0
363.26877	2.6
387.10764	23.1
417.11722	7.6
447.12903	3.3
477.14584	2.2
567.16931	4.7
567.37134	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	567.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03440	4.7
59.01377	77.3
59.59440	2.6
61.98834	37.9
63.04040	2.7
66.91913	3.0
69.28280	14.3
71.01379	31.1
73.02949	11.1
75.00913	2.8
78.91886	3.0
83.01405	4.7
85.02945	12.5
87.00906	3.0
89.02472	7.4
90.09292	2.7
95.01342	2.8
96.95992	2.7
99.00874	5.9
99.04533	5.2
99.34410	2.9
101.02455	22.4
108.23375	2.8
113.02461	10.4
125.02457	3.1
161.04544	8.9
180.45058	2.7
186.12486	2.9
220.74251	3.2
345.30164	5.4
405.25137	6.7
507.35373	100.0
508.35574	7.2
567.33759	13.3
568.28113	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	567.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
57.03453	4.6
59.01376	37.6
61.98827	68.9
69.12646	1.7
71.01379	18.9
71.44853	1.9
73.02949	9.3
75.47115	1.8
83.01390	6.6
85.02939	10.6
89.02452	3.1
95.01359	2.2
99.00824	2.4
99.04499	3.7
101.02438	16.5
109.83611	1.8
113.02432	8.5
159.02942	1.9
161.04578	3.6
345.29990	3.8
507.35349	100.0
508.35648	3.4
567.29510	5.5
569.72327	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	568.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40812	0.4
56.11648	0.5
59.01358	0.6
61.98829	100.0
70.56840	0.9
89.02441	0.6
131.87798	0.4
339.91281	0.5
343.12225	1.2
565.20374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.8
61.98824	13.8
91.09325	1.7
98.22654	2.9
99.92593	6.1
102.56612	1.5
108.02164	12.8
114.93391	3.5
116.92857	62.1
121.02943	4.9
122.03748	2.2
150.57368	1.5
160.22484	1.4
229.22047	1.5
265.11755	1.5
292.95789	1.5
302.21335	2.2
326.21167	4.2
328.22791	9.3
329.14053	2.0
338.26117	1.4
345.23120	9.0
346.23843	100.0
347.24097	3.0
506.34018	1.9
508.29657	2.0
575.18427	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	569.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00729	0.1
57.87162	0.1
58.86604	0.1
59.01359	0.2
59.67173	0.1
61.38979	0.1
69.17712	0.5
73.02958	0.6
73.03355	0.1
75.00869	1.4
99.00874	0.4
99.92580	7.0
100.92600	0.2
114.93385	0.2
116.92859	100.0
117.01930	1.8
117.05608	0.2
117.92864	2.5
188.76132	0.1
189.18933	0.1
259.57721	0.1
493.07590	0.1
591.05457	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
68.96106	0.5
69.45159	2.5
71.01351	1.4
75.90762	0.5
82.06632	3.3
84.08190	0.7
85.02946	0.8
85.66258	0.5
89.02449	1.2
96.13762	0.4
100.93285	0.6
101.02419	0.9
112.07665	0.6
117.03471	8.4
119.05045	3.6
129.10353	2.8
130.08746	27.0
135.04608	0.5
145.02959	54.5
146.03232	1.1
151.04010	0.5
161.06085	0.9
162.05736	0.5
163.04013	7.1
179.03513	1.5
180.04230	1.1
181.05132	3.6
182.15524	1.8
187.04042	2.4
187.31647	0.6
192.91220	0.5
197.96950	0.5
199.18149	14.9
204.05463	0.7
205.04878	0.7
217.02602	1.2
217.06326	0.7
229.06142	1.0
231.07750	0.9
232.08466	0.9
235.06105	0.8
243.04117	1.8
243.17137	100.0
244.04875	1.0
244.17506	2.6
249.04997	0.6
257.05713	2.0
257.09186	0.6
259.07263	7.2
265.07361	0.7
271.07257	1.2
285.08783	0.5
287.10352	2.8
291.09885	2.0
302.05374	0.8
313.04675	0.8
313.08313	14.0
314.08536	0.6
317.07733	1.9
325.09296	19.0
331.09323	0.9
335.08887	0.9
342.04556	0.5
342.09439	1.1
343.10229	1.1
345.11035	3.0
371.08719	1.3
375.08228	0.6
389.09937	1.0
407.10944	3.1
432.34729	0.5
537.13788	2.0
569.16302	11.6
569.29565	0.8
570.16211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34401	1.3
57.03440	2.7
59.01379	15.6
60.34971	1.1
60.97695	1.2
61.98822	10.1
71.01376	4.5
73.02936	2.0
78.91888	37.3
85.02938	2.0
89.02411	2.8
96.96006	2.9
99.04532	2.7
101.02471	3.0
113.02452	2.5
125.02470	2.1
139.94057	1.2
145.02924	1.8
156.32776	1.2
171.10210	1.5
185.11880	3.7
207.79056	1.2
341.23087	1.5
346.06729	1.5
371.24390	100.0
372.24707	4.4
449.27240	1.5
569.26935	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	570.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10995	0.5
59.01376	3.6
61.98809	1.7
64.66006	0.5
69.14587	3.2
71.01386	2.5
87.00871	0.6
89.02453	2.5
92.87365	0.5
96.95985	0.6
101.02432	2.3
107.81859	0.5
113.02466	0.9
119.03584	0.5
128.75499	0.5
161.04594	0.9
165.12836	10.3
181.36130	0.5
235.08209	0.7
245.47897	0.5
247.20679	5.5
253.09265	17.4
254.09650	0.6
255.76831	0.5
273.18619	3.0
291.19653	100.0
292.20004	3.3
423.31790	0.6
519.12897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
61.98812	0.7
69.14108	1.7
71.01376	2.2
73.02926	0.6
85.02937	0.4
87.00880	0.4
89.02457	2.7
94.76105	0.3
96.96009	0.3
98.21767	0.5
101.02435	2.0
107.45856	0.2
109.11047	0.2
113.02433	1.2
119.03508	0.5
125.06071	0.4
148.08925	0.5
148.83578	0.3
150.10458	0.3
161.04572	1.4
165.12839	9.9
212.89299	0.3
235.08228	0.4
245.01245	0.3
247.20682	5.6
253.09274	15.6
254.09770	0.4
273.18579	2.9
291.19644	100.0
292.19965	3.4
298.32620	0.3
449.42783	0.3
527.28534	0.6
547.82556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01380	7.3
61.98537	0.4
61.98830	4.3
68.40563	0.2
71.01384	2.1
73.02970	0.5
73.04068	0.2
85.02944	0.7
89.02431	0.7
93.03474	0.8
95.01369	0.3
96.96025	0.8
99.04520	0.6
101.02464	1.1
108.02173	11.6
113.02419	0.6
113.03653	0.2
121.02958	7.8
122.03744	2.3
125.02559	0.3
128.03531	0.3
130.08730	0.3
134.03738	0.3
135.04471	0.6
161.04570	0.9
179.05637	0.2
192.50322	0.2
254.17978	0.2
326.21136	0.3
328.22830	0.3
330.24377	0.7
346.23788	2.5
347.24643	18.3
348.25409	100.0
349.25729	4.9
362.26846	0.8
373.18948	0.3
402.26660	0.3
408.27643	0.3
510.30975	1.2
526.23004	0.4
536.27704	0.3
570.13385	0.4
570.26434	0.3
570.35022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22727	3.0
59.01376	9.9
61.98829	3.6
65.27769	2.7
66.75391	3.5
70.72780	4.0
78.99175	2.9
82.06758	2.8
101.20383	2.5
108.02185	12.1
121.02946	7.7
122.03790	4.4
194.98778	2.9
199.34448	3.3
347.24643	17.8
348.25452	100.0
349.25818	4.5
441.68564	3.2
514.55194	3.5
570.87476	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	570.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03542	0.2
57.03458	0.3
57.66940	0.3
59.01378	0.7
61.98830	100.0
69.16780	1.6
71.01399	0.3
78.91920	0.4
78.95894	0.3
80.91682	0.4
148.80696	0.4
158.43166	0.3
247.29082	0.3
267.53448	0.3
358.19333	0.3
580.52600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07690	0.1
58.36932	0.2
59.01383	0.3
61.98828	100.0
65.61189	0.1
66.58099	0.1
69.15389	0.5
69.15799	0.4
94.09774	0.1
95.46281	0.2
95.86894	0.2
103.10532	0.2
127.37399	0.2
135.08058	0.1
158.26675	0.1
183.77789	0.1
214.71245	0.1
217.06694	0.4
227.38452	0.2
322.30981	0.2
566.04303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01373	0.7
67.88166	0.5
69.68056	1.1
85.02978	0.4
87.00874	100.0
88.01199	0.5
92.87721	0.3
96.96923	0.4
98.21944	0.4
102.94391	2.8
111.00875	2.8
113.00169	0.4
117.01965	0.4
124.96442	2.1
124.99388	0.4
141.69003	0.3
142.97523	18.4
159.58711	0.4
166.97517	10.2
168.95428	4.9
184.98692	1.8
186.96524	1.4
191.01999	1.5
202.98666	0.3
228.97540	99.6
229.97943	1.4
255.40874	0.4
289.12372	0.5
341.88800	0.4
385.74112	0.4
571.08539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88824	0.6
55.01871	0.8
57.03449	4.9
59.01378	10.6
61.98831	6.4
69.38212	2.8
69.69066	0.6
71.01382	4.2
72.99289	0.6
73.02953	2.9
78.95878	1.6
79.95753	1.0
83.01392	1.7
85.02947	1.9
87.00877	1.2
88.98827	0.7
89.02457	3.8
92.95204	0.7
93.03449	2.0
95.01414	0.9
96.96030	0.9
98.22579	1.4
99.04526	3.4
101.02451	4.8
108.02176	1.7
113.02417	1.8
116.92823	0.8
117.03470	6.1
119.03552	0.7
119.05031	1.2
121.02980	2.0
125.02438	2.3
125.99562	0.8
127.00407	1.6
128.03433	0.8
131.04955	0.8
135.04524	0.9
137.02426	1.2
149.02469	1.3
159.04520	1.0
161.02441	2.7
161.04535	1.5
163.93430	0.6
174.03294	0.9
175.03932	1.7
177.01938	0.9
179.05536	0.9
187.03969	1.0
189.01846	1.0
189.05528	0.9
191.03445	1.4
199.03970	1.3
201.01993	1.2
201.05602	0.7
203.03514	2.2
203.07358	0.8
205.01393	1.0
205.05037	1.3
215.03424	1.5
217.04956	1.5
219.02962	0.8
222.21684	0.7
231.03046	1.5
233.04448	1.6
237.05531	0.8
243.02945	1.2
245.04524	1.9
245.62088	0.8
251.07146	1.6
262.06320	1.0
263.07428	1.3
267.06573	1.6
271.02405	0.8
277.05249	1.2
278.05804	1.5
279.06567	1.9
281.04456	1.5
281.08063	0.7
283.06009	3.0
287.05624	0.8
290.05847	0.8
291.06577	0.8
293.04590	2.0
293.08194	1.8
294.05142	1.1
295.06094	9.1
296.06818	1.1
297.07733	1.5
305.04468	1.8
305.08209	1.0
306.05225	1.0
307.06094	10.2
308.03171	1.5
309.07492	3.3
311.05597	2.6
319.06033	2.6
320.06992	2.1
321.04028	1.5
321.07651	10.9
322.04846	2.6
323.05569	6.0
323.09369	2.0
325.07007	1.2
331.06311	0.8
333.07700	2.1
335.05692	4.7
337.07172	3.9
347.05695	1.3
347.24524	1.9
348.06436	1.0
348.25369	10.7
349.07162	38.1
349.25766	3.7
350.07654	1.4
351.05106	11.3
351.08939	1.1
353.06549	1.6
361.07367	3.8
363.05127	2.5
365.06436	1.3
367.08194	1.8
373.19202	0.8
373.25885	1.8
377.06705	11.1
379.03552	1.0
379.08240	18.3
381.06036	4.2
389.06586	1.3
391.08353	3.6
395.07660	5.4
405.06079	1.9
407.07687	9.5
408.27380	0.8
409.09421	1.5
419.07791	1.0
425.08606	3.5
433.05530	3.5
435.07025	1.6
443.09756	2.7
444.17978	0.9
451.06219	1.3
463.06314	0.9
469.11349	13.9
471.09378	15.1
481.08139	1.0
497.11136	5.1
515.12036	1.6
525.10529	3.2
527.11713	0.7
543.11444	6.1
553.09845	43.8
554.10260	2.2
571.10925	100.0
571.25494	2.5
572.11353	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	571.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55566	0.3
57.03445	1.4
58.72765	0.3
59.01379	3.3
61.98829	100.0
69.21758	0.6
69.22169	1.1
71.01385	0.8
73.02934	0.6
74.02452	0.4
75.13328	0.3
89.02428	0.4
96.96006	2.9
98.77525	0.3
99.04517	2.2
99.92590	0.6
101.02467	1.0
105.01928	0.5
108.02194	0.5
109.02444	0.3
113.02421	0.6
116.92856	3.7
117.92882	2.5
118.92632	2.3
118.93439	0.4
125.02453	1.1
128.03506	0.4
130.08720	0.6
141.09198	0.4
146.48132	0.3
161.04645	0.6
161.61467	0.3
162.59105	0.3
163.10742	0.4
185.08237	0.7
299.60669	0.3
329.22995	0.4
334.36136	0.3
346.24014	1.4
347.24185	2.7
348.24503	1.6
349.20297	0.3
349.24612	1.5
379.15884	0.3
427.19888	0.8
444.47223	0.4
469.21204	0.5
571.14966	1.2
571.24402	1.1
571.34393	0.7
577.20099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.288
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.94196	1.1
55.11887	1.1
70.80327	1.9
70.91991	1.2
73.79491	1.2
78.95902	74.8
79.63760	1.3
92.92779	3.0
96.96024	1.7
96.96952	13.1
152.99590	64.7
171.00641	1.2
210.95425	1.5
218.12788	1.2
223.00160	3.2
233.74226	1.2
241.01180	32.3
255.23282	80.4
256.23508	3.0
259.02036	1.3
315.04733	7.5
391.22516	4.4
571.28870	100.0
572.28979	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	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69725	2.3
65.50001	2.3
68.78693	2.2
70.70568	4.0
71.17532	2.3
78.95905	69.3
92.92793	14.9
94.05447	2.3
96.96001	4.2
96.96960	15.6
101.65611	2.2
123.31606	2.5
125.63204	2.3
130.74638	2.5
152.99588	74.2
159.73166	2.2
184.37738	2.2
188.96742	2.2
216.67235	2.8
223.00145	3.7
229.35843	2.4
241.01236	30.3
251.71106	2.5
255.23303	75.6
267.28192	2.6
267.30972	2.2
308.91074	2.2
315.04803	7.6
391.22574	4.2
571.28870	100.0
572.29211	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	571.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67576	0.4
57.03439	2.5
59.01381	4.4
61.98828	3.5
62.48151	0.4
69.37067	0.4
71.01366	1.5
73.02914	0.9
75.00864	3.0
78.58881	0.4
82.95399	0.5
89.02447	1.1
96.95975	0.5
97.06613	0.7
99.04501	2.0
101.02438	1.5
113.02435	1.2
116.92883	1.6
120.99295	0.4
123.08155	0.9
125.02448	1.2
128.03468	0.4
130.51764	0.4
139.11276	0.5
141.09190	0.6
147.13879	0.4
161.02434	0.5
161.04550	1.1
171.10178	0.5
179.05693	0.4
185.11847	3.6
197.02206	0.4
214.12085	0.9
303.91068	0.4
306.07516	0.6
307.96283	0.5
327.21744	0.5
355.24893	0.9
363.23489	0.5
371.24359	1.4
373.25928	100.0
374.26279	3.8
490.67416	0.5
571.28949	16.9
572.29932	0.5
590.01947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
59.01379	3.5
61.98825	3.5
69.16380	2.8
71.01374	0.9
73.02940	1.4
75.00881	4.2
80.91680	0.7
89.02434	1.0
96.96004	0.5
99.04529	2.4
101.02442	1.6
104.21122	0.5
113.02448	1.0
116.92844	2.6
118.32028	0.4
123.08149	1.2
125.02392	0.7
128.03607	0.7
130.08755	0.7
133.17165	0.6
139.11264	0.5
141.09196	0.5
158.95703	0.5
161.04584	1.0
179.05724	0.7
185.11810	3.8
214.12086	0.5
343.24606	0.6
355.24982	1.1
366.17798	0.5
371.24402	1.0
373.25946	100.0
374.26199	3.8
553.33972	0.6
571.28992	16.0
572.30347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	22.0
57.20554	3.3
58.36856	3.0
59.01380	50.7
61.98826	100.0
65.98011	3.2
69.16929	22.8
71.01359	18.4
73.01423	3.4
73.02957	8.7
73.04061	11.0
77.47430	3.0
79.95716	4.6
83.02542	3.3
84.00907	3.0
85.02970	8.4
86.42979	3.5
88.98812	4.1
89.02439	13.2
95.02434	3.5
96.00897	37.4
96.96003	14.1
97.02956	3.2
98.02506	7.5
98.22582	9.1
99.01997	8.9
99.04510	18.4
101.02434	16.4
103.36275	3.4
107.05079	3.7
108.02145	8.6
110.02480	12.6
112.05143	4.2
113.02456	10.7
113.03567	28.9
114.59172	3.3
115.08752	6.9
121.02930	8.8
125.02444	8.7
127.05167	4.1
128.03557	13.1
129.10326	4.5
130.08745	82.1
140.07170	7.0
143.03513	3.7
143.04678	4.2
149.02533	6.6
150.03191	15.2
153.03017	5.2
161.04459	4.3
164.04779	4.4
165.05556	12.3
166.06270	4.4
169.07169	3.9
179.05600	6.1
179.07051	5.6
195.06622	10.8
197.16522	4.8
198.08971	4.1
199.18112	12.0
210.05179	9.8
210.08810	3.8
217.12206	4.1
243.17055	10.9
247.09787	4.7
280.13239	3.8
298.24985	10.7
306.07620	4.2
327.12390	6.0
343.11789	6.0
348.25287	19.4
349.25726	25.1
361.18808	4.9
373.18680	38.4
399.25940	8.5
456.28134	8.4
527.22974	9.5
536.27277	95.4
537.27509	6.3
553.21564	4.9
553.29828	96.3
554.29150	8.3
571.22760	7.1
571.31104	44.2
572.31738	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	572.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.4
61.98822	1.2
71.01379	2.5
85.02953	1.1
87.00872	1.0
89.02441	3.6
96.96020	0.8
99.68433	0.6
99.80903	0.6
101.02424	4.3
113.02452	1.9
117.64768	0.6
119.03493	1.3
161.04568	2.3
179.05533	0.6
179.14491	0.6
186.05093	0.6
195.13905	6.9
196.14737	1.6
218.86380	0.6
223.13388	3.9
253.09273	39.0
256.13095	0.6
275.20209	4.0
293.21222	100.0
294.21619	4.4
492.22003	1.5
529.30383	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	572.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64628	0.7
59.01376	4.2
61.98826	0.7
70.26218	1.5
71.01364	3.2
72.55533	0.7
86.28812	0.7
87.85580	0.6
89.02452	3.1
101.02409	3.4
113.02444	1.6
118.50816	0.6
143.03516	0.8
161.04568	1.7
179.05580	0.7
195.13918	7.5
223.13399	5.0
253.09291	38.1
254.09520	1.3
275.20132	4.0
290.11096	0.7
293.21240	100.0
294.21506	4.4
492.21982	2.0
529.29932	2.1
548.61823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09124	1.7
59.01369	6.7
61.98818	5.3
69.11964	6.9
69.12368	4.6
71.01363	3.5
89.02419	3.7
93.09409	1.6
98.21868	3.3
101.02440	3.9
123.50418	1.7
135.64653	1.6
161.04446	2.5
183.13890	3.2
184.51657	2.0
209.15556	1.8
235.16982	9.3
253.09294	30.0
275.20166	14.3
279.78043	1.8
280.40070	1.8
293.21228	100.0
385.85092	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	572.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47123	3.2
59.01375	7.0
61.98819	6.9
66.56122	3.2
70.65743	5.4
71.36536	3.2
78.74158	2.9
101.02415	5.1
161.04539	4.8
206.49846	3.0
235.17023	23.8
253.09268	26.2
275.20111	21.6
293.21231	100.0
492.84653	3.3
543.76068	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	573.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	39.6
61.98829	17.6
69.05279	100.0
84.46524	14.6
87.92369	15.3
89.02448	27.0
98.22707	30.6
116.75176	14.8
146.78935	18.4
177.05602	28.5
179.05649	34.0
336.22003	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36927	55.7
58.13252	60.5
61.98824	58.2
74.42665	56.1
144.90768	54.4
160.67570	50.5
195.06577	97.7
327.12280	100.0
339.12482	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	22.9
59.01382	33.0
61.98827	19.5
69.14793	1.7
71.01384	13.1
71.44882	1.8
71.89257	1.5
73.02939	9.8
82.95417	2.2
83.01373	2.5
85.02950	3.8
85.54848	1.4
87.00868	1.8
89.02438	9.4
96.95998	7.1
99.04521	23.1
101.02449	13.8
102.05606	2.8
105.74174	1.6
113.02447	7.5
113.06046	2.3
113.07242	1.6
113.99519	1.6
119.03470	3.5
123.04496	2.0
125.02446	11.6
127.05115	3.5
128.03525	6.7
143.03432	2.3
149.19113	1.7
161.04552	6.5
174.01668	2.4
179.05574	3.4
183.13812	2.3
187.70015	1.5
199.13544	1.9
210.04935	1.6
220.34363	1.7
223.13457	4.0
267.12390	4.8
289.06372	1.6
296.82721	1.7
303.64471	1.6
357.26492	8.2
365.85373	1.5
373.25882	4.0
375.27521	100.0
376.27829	2.6
411.20230	3.0
417.28497	6.3
429.21149	3.4
537.32587	3.0
542.25275	4.1
542.75580	2.0
551.26093	2.4
573.30933	30.4
574.31158	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	573.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69293	1.6
54.46175	1.6
58.02970	1.5
59.01369	3.4
60.12617	1.4
62.14362	1.6
63.06656	1.8
69.58137	6.2
70.02959	5.9
71.01395	2.0
71.04999	6.7
78.95899	4.3
85.71936	1.4
87.05614	2.4
93.69138	1.8
98.22305	6.3
99.04508	2.1
99.86180	1.6
103.01498	4.3
109.74470	1.6
116.07153	1.6
130.03311	5.6
143.63150	2.0
146.08243	45.5
147.06007	1.8
152.99579	2.0
184.28221	1.4
217.11948	8.6
259.11234	3.5
260.50174	1.7
275.02875	1.7
277.12265	100.0
277.21680	3.5
278.12473	2.8
279.23126	2.7
335.84412	2.0
336.23462	3.6
445.98294	2.0
485.20139	2.6
501.22559	2.2
514.19879	5.5
529.22443	28.8
530.22467	2.9
537.33655	2.3
573.19946	1.7
573.31586	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25222	1.1
59.01382	16.1
61.08802	1.1
70.87286	1.2
71.01374	2.8
77.91199	1.1
78.95896	1.6
83.77657	1.2
89.02429	2.7
96.96035	2.0
101.02419	1.7
101.97582	1.2
105.90282	1.1
113.02425	1.9
118.10463	1.3
178.77539	1.3
253.09227	13.0
277.21710	100.0
278.22037	3.6
356.65363	1.3
415.58597	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	573.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47937	1.3
59.01376	11.5
69.13836	1.3
71.01394	2.2
74.71809	1.5
78.95901	6.1
84.77045	1.4
89.02453	2.0
96.96014	2.7
101.02419	1.7
112.20966	1.3
158.67216	1.4
222.75551	1.7
253.09224	14.6
277.21707	100.0
278.22171	3.3
344.99677	1.6
448.88489	1.4
476.27771	1.7
600.02869	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	574.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	37.1
59.01380	100.0
60.66157	7.2
61.98827	76.1
71.01373	36.0
73.02942	17.0
82.95438	47.3
83.57436	7.1
84.00919	7.7
84.95113	10.9
85.00430	21.0
85.02954	14.6
89.02426	14.6
95.12498	6.9
96.95992	7.4
99.00899	7.1
99.04524	41.0
101.02435	36.8
108.52831	7.5
113.02455	15.2
116.92889	7.3
117.03426	9.8
125.02451	20.9
146.17632	7.0
269.04437	10.4
269.17688	10.3
271.72861	8.2
369.06238	10.3
413.21732	22.0
557.12677	17.1
574.31702	79.9
575.13965	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1405
Annotation	Maysin
Peak:m/z	Relative Intensity
52.43534	0.5
53.32742	0.5
53.40897	0.5
61.20872	0.6
65.03918	0.6
69.44724	2.1
71.01388	0.6
79.01881	0.6
86.80933	0.5
93.03449	2.3
117.03468	7.8
119.05013	1.6
125.00522	0.5
133.02814	0.6
135.04526	2.7
135.37730	0.6
137.02463	0.6
145.02931	1.1
147.04497	1.0
149.02426	1.5
149.06184	0.6
151.04004	1.1
159.04517	1.2
161.02461	4.2
163.03981	2.3
164.51941	0.5
165.01907	1.1
165.45288	0.6
173.02408	0.9
175.03983	2.2
177.01909	2.3
177.03355	0.6
177.05513	1.5
179.03471	2.0
189.01959	1.8
189.05545	1.0
191.03525	2.0
197.06009	0.8
198.38289	0.5
203.03456	2.2
205.01291	0.7
205.05019	0.8
207.02948	2.6
209.06308	0.8
211.07491	0.6
215.03488	0.7
225.05484	0.8
233.04535	0.6
237.03854	1.1
238.06418	0.6
239.07019	0.8
249.04024	0.7
251.07115	1.8
253.04921	1.0
253.08632	0.9
256.94135	0.6
263.07193	0.6
265.05151	0.7
267.06573	2.2
269.04465	1.8
277.04913	0.6
279.06845	1.2
281.04718	2.9
282.05350	3.1
283.06113	15.3
293.04593	1.0
294.05322	0.9
295.06134	10.6
296.06815	3.4
297.04291	1.0
297.07675	20.6
298.08160	1.1
305.04514	0.6
307.06180	3.8
308.03229	0.7
309.04089	1.4
309.07742	2.2
310.04794	0.6
311.05615	11.5
311.09155	0.4
321.07632	0.7
322.04794	1.8
323.05603	8.9
324.06247	1.6
325.07144	8.1
326.07706	0.7
328.05911	1.4
335.05585	2.1
337.07159	2.9
339.04941	2.5
341.06583	3.2
351.05115	6.0
353.06662	29.0
354.07336	0.9
355.08243	0.7
356.05222	0.7
363.04813	0.7
365.06583	3.0
367.04538	1.5
367.08563	0.8
369.06116	13.5
381.06039	3.6
383.07693	12.7
395.07590	2.0
397.05292	1.1
399.07172	9.1
411.07065	1.6
425.08517	0.8
431.10007	0.8
455.09802	2.6
471.09360	2.4
472.10007	0.7
473.10828	15.5
474.11328	1.2
485.10834	1.3
487.08820	2.0
488.09540	0.7
489.10416	20.3
490.10608	1.3
557.13055	1.1
575.14038	100.0
576.14264	5.4
586.81317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43729	2.6
59.01371	2.9
61.98849	5.2
85.88758	2.3
97.02551	2.5
106.56018	2.4
109.27808	2.5
117.03468	5.9
133.23727	2.3
161.02454	3.9
165.40656	2.6
269.89294	2.4
282.05634	2.7
283.06125	7.1
295.06174	9.1
296.06699	5.2
297.07578	14.0
309.07748	3.1
311.05566	10.7
323.05594	9.2
325.07108	6.4
328.05759	2.8
351.05273	12.2
353.06635	35.1
356.05334	5.0
365.06628	3.2
369.06125	8.1
383.07608	6.6
471.09515	5.6
473.10638	8.6
489.10248	6.9
524.50714	2.5
557.12994	5.5
575.14008	100.0
575.23041	5.2
576.13904	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	575.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55567	0.2
57.03448	10.8
59.01375	5.4
61.98817	0.8
62.26708	0.2
63.02389	1.3
65.00060	0.3
65.00357	0.7
71.01363	1.3
71.30303	0.3
73.02945	1.1
78.05268	0.2
81.03463	0.3
83.01405	0.6
85.02940	0.5
89.02439	1.0
91.06814	0.2
93.03426	0.5
99.00901	0.2
99.04513	4.8
101.02426	2.3
107.01370	1.4
113.02431	0.7
117.03440	3.0
119.03493	0.5
121.02966	0.3
125.02451	3.0
143.03442	0.4
148.01816	0.3
149.02431	1.1
151.00371	1.0
157.06593	0.2
159.04535	1.2
161.02385	0.8
161.04544	0.6
169.06630	0.6
171.04565	0.4
172.05174	0.3
178.53215	0.2
179.05577	0.4
181.06578	0.3
183.04477	0.8
192.53520	0.2
196.05180	0.6
197.06039	0.6
199.04071	0.3
201.05626	0.8
203.05557	0.4
211.04074	0.3
212.04779	0.4
224.04691	0.4
225.05530	1.3
227.03473	0.6
239.03383	0.7
240.04315	1.3
253.05150	0.4
267.03012	0.5
268.03757	38.5
269.04526	100.0
270.04895	2.5
281.04523	0.3
283.06027	0.7
295.06094	0.4
297.07700	0.5
305.08801	1.2
311.05539	2.3
323.05554	0.5
328.05588	0.3
339.05048	0.3
353.06549	0.8
369.05817	0.5
373.18774	0.4
375.27631	0.4
413.08768	0.5
413.21454	0.3
431.09793	34.5
431.22610	0.9
432.10257	0.8
471.08957	0.3
473.10855	39.2
474.11267	1.1
489.10400	0.5
513.13989	12.4
514.14453	0.4
557.13153	0.5
575.14014	4.1
575.27924	0.8
576.14056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98618	0.7
59.01378	100.0
61.98819	0.9
71.78059	0.8
75.00870	1.4
77.21747	0.8
87.00861	1.3
103.00361	4.2
103.01495	84.7
116.34701	0.7
207.24615	0.8
211.66507	0.8
233.97282	0.8
270.86203	0.8
293.21103	2.3
309.20511	1.4
511.17886	0.8
518.28778	3.2
575.13629	1.3
575.22150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.9
59.01379	11.7
61.98810	0.6
64.07094	0.6
69.94327	1.4
69.94693	1.4
71.01370	2.5
73.79857	0.6
78.95900	3.1
80.65523	0.7
89.02450	2.4
96.99306	1.0
98.14833	0.7
101.02453	1.9
113.02440	0.9
120.93889	0.6
130.94707	0.7
152.99535	1.0
200.13058	0.7
229.09470	0.6
253.09270	12.5
279.23288	100.0
280.23529	2.2
281.42108	0.7
286.52304	0.6
325.09674	0.7
353.94559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40709	0.4
59.01376	15.7
69.15240	3.0
71.01373	2.2
73.02969	0.5
76.95469	0.5
78.95895	0.7
85.02954	0.8
89.02441	1.9
101.02447	3.2
113.02431	1.5
115.02084	0.5
143.68111	0.5
161.04588	1.0
235.08279	1.7
253.06584	0.7
253.09264	12.2
279.23282	100.0
280.23642	2.9
428.11676	0.5
514.86237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88760	2.1
57.91533	1.7
61.98832	16.3
69.85962	4.2
69.86288	2.9
73.45425	2.0
78.95901	100.0
84.99477	1.9
91.56046	1.7
96.96005	14.3
96.96960	4.8
98.95602	14.7
98.96270	2.4
99.92600	13.4
100.93382	5.5
113.49905	1.7
114.94939	8.1
115.92083	11.9
116.92831	4.6
125.67677	1.8
130.83853	1.9
134.98505	1.8
140.53877	2.0
141.96016	13.5
151.59091	1.7
152.99590	47.3
153.33734	1.7
163.89754	5.1
164.90485	7.2
178.88425	6.7
179.89200	16.1
180.90080	9.4
181.90799	7.8
192.00693	2.7
196.03798	3.9
196.89452	28.2
205.71562	1.8
205.93159	5.1
222.93416	3.4
223.94215	2.0
235.91766	5.1
236.92590	4.5
276.06876	1.8
277.95398	2.4
279.23297	25.7
280.23795	2.1
433.23505	8.3
435.18591	2.3
459.12296	2.0
474.26413	2.8
476.27823	3.8
478.28546	3.2
499.15182	3.5
516.15833	5.4
540.18384	16.2
558.19427	15.8
576.20300	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	36.6
59.01377	39.6
61.98827	100.0
65.00320	2.3
69.19753	1.8
69.20064	8.5
71.01379	15.6
72.81329	1.6
73.02943	14.7
75.00817	1.4
75.24741	1.4
81.03450	2.2
83.01383	5.9
85.02945	4.1
89.02444	10.2
99.00909	1.5
99.04516	35.2
100.04037	1.9
100.04855	2.0
101.02442	25.3
107.01418	3.3
113.02446	8.1
119.03497	5.3
119.05029	8.1
123.04517	4.0
125.01610	2.1
125.02453	19.2
130.34024	1.8
131.03598	1.4
143.03511	3.5
143.04636	1.6
149.04503	2.3
151.00368	12.7
154.99226	1.3
159.04401	1.5
161.04567	10.7
177.02022	1.5
179.05630	4.5
210.60710	1.5
224.33376	1.4
261.97403	1.3
263.07629	4.0
268.03641	1.6
269.04379	8.4
270.04880	6.9
271.06122	47.5
284.06409	1.7
297.07446	1.9
323.09726	7.4
339.05078	1.6
354.07269	1.7
376.27643	2.1
432.09848	3.1
433.11234	4.0
474.11087	4.2
475.12405	1.8
513.23401	14.6
558.14294	1.5
561.77368	1.5
576.14362	10.1
576.25903	2.2
576.33459	7.4
577.15192	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11770	0.2
61.98827	100.0
70.76703	0.2
77.47573	0.2
78.95880	0.3
80.34212	0.2
98.21771	0.5
103.99652	0.2
106.76255	0.2
124.43068	0.3
133.99541	0.3
147.50789	0.3
435.69907	0.3
599.19269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57399	0.2
54.93348	0.2
56.77766	0.2
61.98827	100.0
69.20103	1.5
69.22787	0.2
74.33752	0.3
78.95898	0.3
83.76048	0.2
104.43714	0.2
197.20857	0.3
252.53961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.8
61.98819	4.7
68.65576	3.3
78.95907	22.5
116.57104	3.5
159.33443	4.6
168.04294	7.0
224.07011	7.8
277.21698	100.0
432.10632	4.5
502.29401	84.3
566.62927	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89713	3.1
52.48949	3.2
56.71220	3.4
59.01383	19.9
61.98834	4.2
65.11962	3.7
69.85240	6.5
69.85565	5.7
78.95910	8.2
90.88449	2.8
92.56472	2.8
96.37045	2.9
96.60225	2.9
98.21912	4.8
118.16428	3.3
119.83536	3.3
183.08279	3.0
210.95056	3.2
277.21707	100.0
278.21973	3.8
295.22571	7.7
502.29388	34.8
558.15497	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	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90226	1.4
57.03448	13.0
70.90900	1.5
80.46172	1.6
81.03455	2.4
82.22523	1.5
83.01389	4.8
89.18977	1.3
95.05020	2.7
97.02955	4.3
109.02943	21.9
114.12763	1.5
121.02962	4.7
123.04503	14.5
125.02450	100.0
126.02769	2.1
133.02972	4.7
135.04504	2.7
137.02457	20.0
139.04018	3.8
141.53632	1.3
145.02945	1.9
146.03778	2.1
147.00923	2.3
149.02422	6.2
151.04021	11.5
159.04521	2.5
161.02438	25.2
161.06087	3.8
162.03197	2.8
163.00362	2.3
163.04015	3.7
164.01167	3.3
165.01912	3.9
175.04041	11.2
177.01935	4.5
179.03471	4.2
187.03981	8.5
188.04771	2.9
189.05536	2.0
203.07091	11.4
205.01375	3.1
205.05055	8.2
211.04088	2.6
213.05605	2.3
217.04951	2.4
221.08397	2.3
227.07147	2.0
241.05016	2.9
243.03062	3.4
245.04482	5.7
245.08220	11.4
255.02971	10.2
256.03726	4.5
257.04684	2.1
268.03683	5.8
269.04593	10.2
273.03979	4.1
277.52405	1.5
281.04538	1.9
283.02560	1.6
285.04099	2.5
287.05560	9.3
289.07184	68.8
299.05527	5.4
339.08560	4.1
381.09698	2.9
407.07709	59.9
425.08774	30.7
451.10373	18.4
454.90790	1.6
484.44876	1.6
577.14539	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	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.2
64.68228	1.7
72.46189	1.6
81.03442	2.9
83.01387	4.3
85.36196	1.6
88.50906	1.7
93.03463	2.5
95.05013	2.5
97.02973	3.7
107.05076	1.9
109.02957	21.3
115.12270	1.6
121.02965	3.3
123.04531	16.3
125.02444	100.0
131.05072	2.9
133.02982	3.9
137.02461	19.3
139.04041	3.8
149.02405	6.0
151.04019	12.0
159.04547	2.6
161.02455	28.5
161.06064	5.4
162.03163	3.3
163.04094	2.3
164.01134	3.6
165.01924	6.6
165.27998	1.6
174.03226	1.6
175.04004	10.8
177.01906	4.4
179.03511	5.6
187.03975	7.4
188.04811	3.6
203.03632	1.7
203.07146	9.8
205.01389	2.4
205.05011	6.6
213.05501	1.8
215.03514	1.8
217.05063	2.1
227.03531	3.4
229.05005	4.1
241.05125	2.1
243.02875	3.4
245.04506	7.4
245.08156	14.2
255.03009	8.1
256.03748	4.5
257.04446	2.5
269.04578	6.4
273.04007	4.3
281.04538	2.7
285.04037	3.1
287.05612	9.2
289.07172	65.7
299.05542	6.9
339.08701	3.0
381.09814	2.1
407.07690	69.8
408.07919	2.8
425.08801	28.5
434.04825	1.8
451.10162	14.8
577.13635	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82889	2.1
57.03432	7.7
59.01397	2.7
71.01384	2.9
83.01400	2.8
93.03470	2.5
97.02972	3.6
102.98426	2.2
109.02945	10.2
117.03414	3.1
121.02944	2.7
123.04532	6.1
125.02439	64.3
137.02460	12.3
149.02466	4.7
150.03191	2.7
151.04048	6.8
161.02414	19.0
161.06059	2.4
163.03954	3.4
175.03975	8.6
177.02043	3.3
179.03510	4.3
187.04021	5.4
189.01897	3.1
203.07101	5.0
205.05028	3.1
229.04922	3.3
245.04536	3.8
245.08231	8.4
255.02995	5.3
269.04187	2.4
273.04007	2.3
281.04520	2.6
287.05612	4.8
289.07199	35.4
295.06180	5.7
296.07104	2.6
297.07639	16.7
299.05734	4.5
307.05725	2.5
309.07663	2.4
311.05731	3.8
323.05679	3.6
325.07169	7.8
337.07101	3.7
353.06674	38.9
365.06650	5.5
383.07657	29.1
395.07672	4.4
407.07724	33.3
408.08466	2.5
413.08530	3.2
425.08722	14.3
451.10291	10.4
457.11319	9.6
473.11282	2.7
487.12552	2.6
577.15558	100.0
578.16315	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10490	0.5
52.96446	0.5
54.45667	0.5
57.03437	0.7
59.01381	1.1
69.28594	1.0
69.28999	1.7
71.01381	1.2
79.68840	0.5
83.01405	0.5
84.45838	0.5
93.03431	1.1
95.32513	0.5
95.57697	0.4
113.02337	0.5
117.03461	3.8
119.05021	0.9
125.02442	0.7
135.04498	1.7
149.02420	0.6
159.04515	1.0
161.02408	1.9
163.04007	1.1
175.04028	1.4
177.05577	1.2
179.03436	0.6
187.04036	0.8
189.01965	0.8
191.03467	1.5
194.95352	0.4
203.03526	1.1
216.92874	0.4
233.04387	0.7
245.04355	0.6
253.08945	0.6
268.07324	0.9
281.04529	0.8
282.05441	2.6
283.06146	3.0
295.06186	4.3
296.06888	4.3
297.07651	14.6
298.07928	1.0
307.05997	1.8
309.07645	1.8
311.05591	4.3
313.06192	0.5
323.05630	3.7
324.06241	1.3
325.07132	8.5
326.07397	0.6
328.05753	1.5
335.05536	1.1
337.07117	3.0
339.08347	0.6
341.06573	0.8
349.06900	0.7
351.05029	0.6
353.06644	33.0
354.07022	2.2
355.07745	1.4
359.65756	0.5
365.06671	5.3
371.06897	0.6
383.07700	22.0
384.08047	1.0
395.07709	3.4
407.07651	0.5
413.08649	2.5
425.08942	1.1
439.09897	0.9
457.11386	10.1
458.11670	0.5
473.10556	1.5
487.12790	3.2
490.10486	0.5
499.12192	0.7
503.11679	1.4
559.14551	0.8
577.15552	100.0
578.16071	6.7
583.47040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19769	0.2
59.01373	2.7
61.98827	0.2
63.02384	1.1
63.28451	0.2
65.00342	0.9
66.25535	0.2
69.14753	1.4
71.01385	1.6
73.02937	0.3
83.01392	0.6
85.02977	0.3
89.02420	2.0
97.02907	0.2
97.29221	0.2
98.21927	0.4
98.22593	0.5
101.02439	1.0
101.98186	0.2
107.01402	1.5
113.02428	0.6
117.03446	2.7
119.03502	0.5
125.02436	0.3
143.03511	0.2
149.02411	1.1
149.99576	0.3
151.00412	1.5
159.04480	0.9
161.02435	0.8
161.04536	0.3
163.03964	0.3
168.05850	0.3
169.06642	0.2
171.04564	0.5
178.06381	0.3
179.05598	0.8
181.06583	0.2
183.04503	0.8
184.05135	0.3
196.05219	0.4
197.06102	0.6
201.05605	0.4
208.39340	0.2
211.03978	0.6
221.06688	0.4
224.04770	0.5
225.05525	1.3
227.03569	0.5
239.03563	1.2
239.05685	0.2
240.04248	1.6
267.02905	0.8
268.03754	25.1
269.04526	100.0
270.04858	2.3
283.06268	0.2
311.05487	0.3
323.09744	0.6
413.08868	1.0
577.15558	49.2
578.15735	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83177	0.5
59.01356	0.8
69.28970	1.5
69.29360	1.1
71.01374	1.1
91.40039	0.6
93.03459	0.9
98.22590	1.3
117.03466	4.0
119.05042	0.9
133.06598	0.7
135.04454	1.3
147.04436	0.7
161.02446	2.0
163.04024	1.1
175.03999	0.7
177.01866	0.9
177.05582	0.8
179.03557	0.6
189.01845	0.6
189.05469	0.9
191.03465	1.4
203.03551	0.9
205.18004	0.6
217.04951	0.9
238.06435	0.7
239.07121	0.9
241.65576	0.7
268.07422	1.0
281.04480	0.7
282.05295	2.3
283.06003	3.8
293.04471	1.8
295.06058	5.0
296.06882	4.0
297.07690	13.2
307.06094	1.5
309.07599	2.0
311.05734	3.6
323.05643	4.3
324.06253	0.8
325.07159	6.4
328.05817	1.6
335.05521	1.3
337.07196	2.1
341.06396	0.8
350.21536	0.6
351.05069	0.7
353.06662	27.0
354.07016	1.9
355.07755	1.6
365.06436	3.3
383.07742	19.3
384.08267	0.9
395.07712	3.6
413.08633	3.8
425.08499	0.8
457.11478	7.8
473.10349	0.7
487.12469	4.0
559.14520	0.7
577.15576	100.0
578.16034	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65552	0.5
53.94333	0.4
57.03436	2.4
59.01382	7.1
61.98824	7.7
69.98391	1.5
71.01368	2.3
72.99300	0.5
73.02943	0.8
75.00900	0.8
77.03980	0.5
80.24364	0.4
81.33582	0.4
84.95129	0.8
85.00429	1.3
85.02946	1.1
87.00877	7.9
89.02440	1.6
95.05029	0.9
99.00896	0.5
99.04556	2.4
101.02459	2.2
102.72491	0.4
103.00389	0.4
105.03492	2.2
113.02464	1.4
119.01427	1.0
119.03537	0.6
119.05019	0.6
121.02927	0.7
123.04602	0.7
125.02382	0.7
132.02161	11.3
133.02959	16.7
134.03780	3.5
135.04529	2.2
137.02437	1.3
147.00862	3.1
149.02522	0.6
160.01651	19.7
161.02419	2.6
162.03227	0.9
164.01183	0.6
170.65941	0.5
171.29309	0.4
175.03946	0.6
176.01141	0.9
177.01929	19.5
177.03490	1.0
178.02708	3.2
179.03479	12.3
191.03453	1.8
193.05037	1.1
207.02977	64.1
208.03354	1.2
221.04536	1.3
222.05319	60.2
223.05672	1.3
237.07668	100.0
238.08025	1.7
269.04547	1.2
327.21695	1.1
337.64209	0.6
338.90118	0.5
340.08005	12.8
355.24832	3.1
383.07724	9.4
397.09186	0.9
415.10452	3.4
425.08713	1.5
577.13831	1.6
577.30859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01510	0.4
63.02396	1.2
65.00330	0.8
69.26128	2.0
99.69832	0.3
107.01369	1.4
107.10972	0.4
117.03454	2.5
120.81301	0.3
146.21788	0.4
149.02399	0.4
151.00380	0.7
159.04553	0.6
161.02426	0.6
166.37967	0.4
169.06633	0.6
183.04568	0.8
197.30315	0.3
225.05524	1.0
240.30649	0.4
268.03729	2.9
269.04538	100.0
270.04901	3.4
478.23233	0.5
577.15485	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	577.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.1
59.01379	5.6
61.98833	3.0
63.02394	1.2
65.00324	4.4
69.09802	0.8
69.10223	0.9
71.01380	1.9
73.02937	1.1
75.00864	0.4
83.01389	2.9
85.02937	0.6
89.02444	0.8
91.12311	0.2
93.03460	4.2
99.04525	5.4
101.02452	5.0
103.00378	0.4
105.69447	0.2
107.01392	7.8
108.02206	0.3
113.02443	0.6
117.03464	0.3
119.05028	19.7
120.05386	0.4
121.02963	0.5
125.02458	4.7
131.01364	0.4
133.01421	0.3
137.02434	0.3
143.03499	0.4
143.05002	0.5
145.02946	0.7
149.02502	0.4
151.00371	32.2
152.00726	0.5
152.18619	0.3
161.04581	0.6
161.05963	0.4
163.00317	0.3
164.01189	0.6
165.01915	1.5
169.01411	0.6
175.00412	1.9
176.01111	0.4
177.01929	3.6
179.05701	0.4
185.06128	0.7
187.03976	1.2
189.01895	0.3
191.03433	0.4
193.01430	0.9
203.05559	0.3
205.01375	0.4
227.07169	1.5
269.04465	1.1
270.05078	0.4
271.06119	100.0
272.06430	3.1
274.78143	0.3
295.06097	1.1
305.08707	1.8
313.07135	1.2
324.44547	0.3
387.83307	0.3
415.23401	0.6
433.11340	6.8
433.24353	0.8
434.11597	0.4
446.40723	0.3
475.12543	3.3
515.15442	1.0
530.81647	0.3
532.93213	0.3
576.34058	0.4
577.15668	7.1
577.28882	1.4
578.16040	0.8
585.65485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04039	0.5
57.02091	0.5
57.03453	12.4
59.01380	6.8
60.52869	0.5
61.98827	5.8
63.02395	2.6
65.00328	4.5
67.07648	0.5
69.24712	3.0
71.01377	2.1
75.00867	1.3
81.03465	1.0
82.95375	0.5
83.01372	4.0
83.62421	0.5
85.02953	0.7
87.00852	0.9
89.02441	1.5
93.03461	6.8
99.00825	0.5
99.04528	5.3
100.04041	0.8
101.02433	4.1
103.00369	1.5
105.01900	0.8
107.01393	11.9
108.02207	0.8
113.02449	1.3
119.05022	26.8
125.02453	5.9
125.20327	0.5
133.02927	0.6
135.05676	0.5
136.01686	1.0
143.03423	0.7
143.05042	1.1
151.00369	47.1
152.00677	0.8
161.04556	0.7
164.01128	2.2
165.01897	3.1
169.01439	1.3
177.01909	7.0
179.05647	0.6
185.06091	1.3
187.04099	0.5
227.07008	1.2
261.16138	0.6
269.04529	1.7
270.05283	1.2
271.06107	100.0
272.06494	2.6
284.03223	1.2
299.05563	1.0
313.07126	0.6
389.25259	0.6
411.08685	0.7
415.10278	1.8
415.23648	0.7
433.11374	39.6
434.11737	2.2
450.38629	0.5
470.75821	0.6
475.12439	32.2
476.12653	1.6
489.26886	2.4
515.15533	11.7
577.15454	19.0
577.28284	4.2
578.15979	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	577.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44415	0.3
55.99144	0.2
59.01368	0.3
62.07438	0.3
66.24259	0.3
66.33923	0.3
69.67929	0.3
69.68266	1.2
77.03959	4.0
82.55627	0.3
86.97451	0.3
89.04005	1.3
93.03477	0.4
95.05030	6.5
105.03456	22.0
123.04545	1.9
132.02144	0.7
132.53551	0.3
133.02951	100.0
134.03273	1.4
151.04007	0.8
153.05843	0.3
177.01920	70.0
178.02290	1.3
184.78610	0.3
191.38153	0.3
369.06073	0.4
429.08493	0.3
436.68631	0.3
459.09534	0.4
468.61053	0.4
577.11993	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	577.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
57.03451	2.2
59.01374	100.0
61.98827	3.6
69.03449	4.5
69.29182	3.3
69.29591	5.4
71.01377	71.3
73.02937	10.9
81.03447	2.6
83.01382	4.6
85.02967	11.9
87.00871	5.9
89.02441	73.2
95.01379	4.9
97.02931	6.7
98.21951	3.3
98.22582	3.4
99.00854	2.8
100.67483	1.3
101.02438	47.1
111.00864	2.9
111.04549	1.4
113.02443	22.9
119.03499	35.5
125.02441	29.4
128.70499	1.4
131.03505	9.0
135.04504	3.2
139.03992	2.0
143.03520	10.0
149.04480	2.2
161.04550	10.6
163.03989	23.2
178.06354	16.5
179.05620	23.6
193.08647	8.6
221.06645	19.2
245.06586	3.4
263.07663	9.4
269.04495	18.4
323.09781	47.1
426.67383	1.6
516.45483	1.6
581.01892	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11001	0.4
59.01368	3.5
61.98829	9.6
63.96214	1.2
69.57402	0.5
71.01385	8.0
73.02930	1.0
78.95922	2.4
78.98592	6.4
79.95731	11.3
80.96516	70.8
81.03463	0.9
83.01379	0.6
85.02950	2.9
87.00858	2.8
94.98087	15.9
94.98680	1.0
96.96003	1.1
97.02966	1.6
98.21895	1.8
101.02449	2.4
106.98072	3.3
109.45155	0.5
113.02505	0.6
122.97577	3.5
125.02432	3.6
134.97585	5.0
136.99173	1.5
148.99132	6.0
152.98631	4.3
152.99715	0.8
164.98633	12.0
190.43922	0.5
206.99687	2.4
224.06894	0.6
225.00745	15.1
277.21680	1.2
279.23288	9.6
299.04407	3.0
433.57602	0.5
504.30905	7.0
577.26862	100.0
578.27191	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71513	0.5
50.99814	0.5
59.01373	2.2
61.98829	7.6
63.96230	1.0
69.03469	0.6
70.97444	0.8
71.01382	6.9
73.02944	2.0
74.78021	0.5
78.98588	6.9
79.95733	10.4
80.96516	68.1
81.03471	1.1
85.02943	2.4
87.00854	2.4
88.16815	0.5
94.97479	0.9
94.98090	15.8
96.95992	1.1
97.02917	2.4
101.02437	3.3
106.98097	2.7
122.97589	6.2
125.02467	3.8
127.04016	0.7
134.97581	4.4
136.99132	1.5
148.99150	5.5
152.98643	8.0
164.98628	12.6
173.19641	0.5
179.42999	0.5
182.99709	1.9
191.38153	0.5
206.99622	3.0
225.00743	16.7
243.01799	2.0
271.26541	0.5
277.21793	2.2
279.23309	8.9
299.04413	2.5
308.29401	0.5
317.05527	0.6
407.89731	0.5
504.30884	2.3
577.26874	100.0
578.27234	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	577.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09052	1.7
57.03445	2.7
61.98833	3.3
69.03442	2.1
71.05016	5.3
71.12907	2.1
71.39178	1.8
80.69893	1.8
93.46739	1.7
97.02943	7.3
97.06569	6.5
99.00871	27.8
123.08180	3.4
125.09712	14.8
135.08173	2.2
146.74455	2.3
153.12828	2.0
163.11264	23.9
165.61307	1.7
181.12349	65.5
186.64417	2.0
197.11905	1.9
199.13385	14.4
207.10234	47.8
207.12103	2.9
225.11320	100.0
243.12355	45.3
277.21725	69.4
278.22070	2.6
299.14948	16.5
317.16040	44.1
428.40897	2.2
577.37457	58.4
578.37372	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	578.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03448	34.8
59.01380	50.0
59.85238	0.8
61.98828	100.0
69.19315	4.5
71.01384	10.6
73.02943	4.3
83.01408	1.5
85.02955	5.0
89.02457	2.6
96.83863	0.6
98.08623	0.8
99.00891	2.0
99.04518	48.5
101.02438	17.5
113.02460	6.0
118.81224	0.7
125.02445	23.4
143.03506	3.1
161.04533	3.5
209.15526	2.3
353.19791	3.9
371.20731	13.7
413.21783	16.6
453.25031	2.6
471.26151	3.2
515.24921	36.2
516.25537	0.8
579.15039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	21.9
59.01379	23.1
61.74113	0.6
61.98830	100.0
69.30614	2.7
71.01386	4.4
72.78114	0.4
73.02946	2.1
75.00873	0.8
75.78698	0.6
83.01411	0.7
85.02966	1.5
89.02455	5.3
94.35261	0.5
98.22617	1.1
99.04520	22.2
101.02444	8.5
103.00362	0.8
113.02489	1.8
116.92869	1.0
119.03515	1.7
123.04529	0.7
125.01611	1.0
125.02444	8.3
143.03558	1.3
143.04611	0.5
147.78654	0.5
161.04616	1.6
170.26807	0.5
178.50468	0.5
179.05647	1.4
211.31096	0.5
232.31543	0.5
240.23932	0.5
273.34161	0.5
280.99695	0.5
284.32257	0.5
354.42401	0.6
356.28131	1.8
368.27548	0.6
371.20792	1.4
413.21951	2.2
433.24707	0.9
434.24826	0.8
453.25131	0.6
494.44403	0.6
515.24976	13.6
578.15594	0.9
578.30109	1.0
579.13898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.0
69.23189	3.7
69.23595	2.1
72.33214	0.9
78.95901	100.0
80.43055	1.0
89.37731	0.9
96.96959	8.8
98.21820	2.0
147.65532	1.1
152.99573	19.8
168.13948	1.1
171.00655	20.5
211.13518	1.2
241.18163	1.6
268.09546	4.3
460.81442	1.1
460.90381	1.0
460.96820	1.0
578.30957	62.6
579.31238	1.8
606.83325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.13233	0.4
69.13624	1.3
71.26450	0.3
71.65338	0.2
72.50405	0.2
78.95889	2.9
79.95728	0.4
83.33675	0.3
85.01902	0.3
96.96010	14.4
99.95455	0.3
114.93425	0.4
125.89857	0.2
152.99603	0.7
169.62994	0.2
177.89804	0.2
194.90047	0.3
208.93137	0.6
234.93208	0.3
245.04327	0.8
298.96234	1.1
343.01031	0.3
368.44937	0.3
393.52994	0.2
453.04312	0.3
481.25812	1.2
535.17889	0.6
579.18756	0.7
579.28162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.15644	0.7
69.16055	1.5
71.01387	0.9
73.94897	0.3
78.95931	0.8
78.98598	1.1
79.95757	1.4
80.96515	9.0
85.02988	0.4
87.00898	0.4
94.98102	2.2
96.96019	3.4
103.33403	0.3
122.97618	0.5
123.03331	0.3
125.02477	0.5
134.97618	0.6
144.10463	0.4
148.99171	1.0
152.98640	1.0
164.98691	1.3
205.91064	0.4
225.00797	2.1
272.94556	0.4
279.23380	0.6
579.28424	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.8
62.14323	0.4
62.70520	0.3
69.03452	0.4
69.06693	1.3
69.07115	0.9
71.01382	0.8
78.95898	5.6
78.98574	0.7
79.95751	1.2
80.96079	0.6
80.96518	7.6
85.02960	0.4
86.30473	0.3
94.98090	1.8
122.97567	0.6
134.97617	0.4
148.99158	0.8
152.98558	0.8
152.99625	1.4
164.98613	1.1
168.04306	1.7
182.99721	0.5
206.99713	0.4
224.06868	0.8
225.00784	1.5
226.01114	0.4
227.13199	0.3
242.07985	2.8
279.23288	100.0
280.23605	3.4
402.59436	0.4
504.30942	37.7
505.31485	1.6
578.27209	14.2
579.27258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.8
59.80558	0.4
69.09845	2.2
69.10247	0.9
71.01366	1.5
73.02910	0.5
78.95902	19.7
78.98599	1.7
79.95743	2.4
80.96517	13.8
82.96086	0.8
85.02923	0.7
87.00846	1.0
94.98092	3.2
97.66908	0.4
101.02376	0.5
103.80605	0.5
105.30261	0.5
134.97562	0.8
148.99173	1.3
152.98511	0.6
152.99667	3.1
164.98608	2.3
168.04298	3.6
174.40013	0.4
206.99702	0.7
224.06961	8.1
224.98785	0.4
225.00650	2.5
242.07951	2.3
279.23282	100.0
280.23636	4.5
335.96753	0.5
504.30966	88.7
505.31381	6.0
517.67285	0.5
519.27405	0.7
578.27197	27.4
579.00519	0.5
579.27277	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48313	1.2
69.64197	4.2
109.02963	3.7
124.01647	1.3
133.02951	13.8
139.04060	1.2
149.02412	1.3
168.58916	1.3
175.03995	4.5
177.01970	3.8
177.05605	1.3
185.05907	1.2
187.04147	1.1
191.03474	2.1
201.01999	2.3
203.03632	2.2
205.05046	1.2
233.04425	1.4
245.04430	1.6
265.05109	1.3
273.33310	1.2
276.74438	1.0
281.04437	1.8
283.06274	1.4
285.03888	1.4
295.06165	1.4
297.04071	4.1
298.04877	12.8
299.05539	4.7
309.04160	2.6
310.04785	1.9
311.05701	11.1
312.06372	16.4
313.07132	12.2
323.05493	1.7
325.07156	3.5
327.05173	9.2
339.05084	20.6
341.06631	9.4
351.05029	2.2
353.06604	5.5
357.06155	3.2
369.06128	54.6
370.06586	2.6
371.07666	2.4
381.06024	8.3
383.07739	2.4
399.07196	57.2
400.07727	1.8
411.07156	7.4
423.07162	1.8
429.08224	12.0
441.08508	9.6
459.09341	55.4
460.09393	2.7
471.09256	2.6
472.13806	1.2
489.10495	19.1
501.10019	1.3
519.11658	3.7
561.12659	5.4
568.50372	1.4
579.13562	100.0
580.13721	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	579.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06595	1.0
69.88600	1.1
69.88917	2.1
71.01378	1.4
71.58790	0.9
87.47310	1.0
103.05434	1.0
105.72949	0.8
109.02937	2.1
133.02934	10.2
135.04509	1.8
149.02423	1.8
175.03949	1.3
177.01927	3.6
191.03479	2.0
203.03496	2.2
205.01474	1.3
205.05083	1.1
235.02431	1.2
239.07011	1.1
245.04437	1.0
248.60693	1.0
278.19052	1.0
283.06137	1.7
283.54840	1.1
297.04099	4.6
298.04813	10.5
299.05484	4.2
309.04111	2.4
311.05679	8.1
312.06372	11.5
313.07162	9.0
323.05545	1.4
325.07004	1.7
327.05182	6.6
339.05106	14.3
341.06595	7.1
351.04996	1.0
353.06583	5.0
357.06192	1.5
369.06128	46.2
370.06390	2.0
371.07761	1.2
381.06073	8.4
383.07587	1.5
395.07510	1.3
399.07169	39.0
400.07510	2.1
411.07278	4.1
423.07385	1.3
429.08179	8.5
441.08319	4.0
459.09247	19.3
471.09363	2.9
489.10489	23.0
519.11243	2.3
561.12567	2.4
579.13513	100.0
580.13995	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1722
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
57.03414	0.7
59.01379	3.1
61.98786	1.2
63.02397	1.7
65.00326	6.2
69.03436	0.3
69.38026	1.6
71.01344	1.4
73.02921	0.8
75.00844	0.8
82.95971	0.3
83.01386	3.5
85.02943	0.7
89.02421	0.5
93.03447	4.6
95.01376	0.4
96.95968	0.6
97.02928	0.5
99.00812	0.3
99.04497	0.6
101.02400	1.2
107.01392	9.8
108.02190	0.3
109.02936	0.3
111.00814	0.3
113.02435	0.4
114.18427	0.3
116.92834	0.7
117.03434	0.8
118.94142	0.3
119.05029	23.4
120.05338	0.5
121.02938	0.6
125.02392	1.2
131.01378	0.7
135.04468	0.7
137.02466	0.6
137.76132	0.3
143.04962	0.8
145.02908	1.0
149.02380	0.5
151.00378	37.0
152.00739	0.5
160.01666	1.2
161.04492	0.4
161.05998	0.7
164.01230	0.3
165.01942	2.4
169.01462	0.7
169.07796	0.3
171.45262	0.3
175.00362	3.1
175.03949	1.3
177.01923	3.2
179.03456	0.5
185.06076	1.1
187.04015	1.8
192.00945	0.4
193.01379	1.1
193.05013	0.9
217.42464	0.4
227.07083	1.4
250.09492	0.4
253.09315	0.6
269.04538	6.9
270.04852	5.5
271.06110	100.0
272.06445	2.9
285.07721	0.5
295.06003	2.8
296.06287	0.3
313.07217	2.6
343.21152	2.0
348.68466	0.4
369.06287	0.7
399.07529	0.5
435.22394	0.5
459.11179	0.5
484.82349	0.4
494.29437	0.4
518.33838	0.5
579.17236	10.9
579.25354	1.3
579.33856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.7
59.01379	3.1
61.98786	1.2
63.02397	1.7
65.00326	6.2
69.03436	0.3
69.38026	1.6
71.01344	1.4
73.02921	0.8
75.00844	0.8
82.95971	0.3
83.01386	3.5
85.02943	0.7
89.02421	0.5
93.03447	4.6
95.01376	0.4
96.95968	0.6
97.02928	0.5
99.00812	0.3
99.04497	0.6
101.02400	1.2
107.01392	9.8
108.02190	0.3
109.02936	0.3
111.00814	0.3
113.02435	0.4
114.18427	0.3
116.92834	0.7
117.03434	0.8
118.94142	0.3
119.05029	23.4
120.05338	0.5
121.02938	0.6
125.02392	1.2
131.01378	0.7
135.04468	0.7
137.02466	0.6
137.76132	0.3
143.04962	0.8
145.02908	1.0
149.02380	0.5
151.00378	37.0
152.00739	0.5
160.01666	1.2
161.04492	0.4
161.05998	0.7
164.01230	0.3
165.01942	2.4
169.01462	0.7
169.07796	0.3
171.45262	0.3
175.00362	3.1
175.03949	1.3
177.01923	3.2
179.03456	0.5
185.06076	1.1
187.04015	1.8
192.00945	0.4
193.01379	1.1
193.05013	0.9
217.42464	0.4
227.07083	1.4
250.09492	0.4
253.09315	0.6
269.04538	6.9
270.04852	5.5
271.06110	100.0
272.06445	2.9
285.07721	0.5
295.06003	2.8
296.06287	0.3
313.07217	2.6
343.21152	2.0
348.68466	0.4
369.06287	0.7
399.07529	0.5
435.22394	0.5
459.11179	0.5
484.82349	0.4
494.29437	0.4
518.33838	0.5
579.17236	10.9
579.25354	1.3
579.33856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.1
59.01381	36.5
61.98835	11.7
67.64330	1.2
71.01382	19.9
72.99308	2.1
73.02957	4.9
74.02473	2.6
75.00870	5.4
82.95408	1.9
83.01385	2.1
85.02956	6.3
87.00881	1.7
89.02439	10.5
96.95988	1.8
99.00903	1.4
99.04501	7.4
101.02444	11.6
103.16354	1.4
113.02451	6.1
116.92876	3.8
119.03508	4.0
125.02470	4.2
128.03571	1.6
129.02007	2.0
149.02374	1.3
160.01651	2.2
161.02272	1.4
161.04564	3.7
168.86626	1.4
169.25294	1.2
175.04073	3.6
179.05603	1.4
182.57977	1.4
184.07736	2.7
196.44168	1.3
197.04782	1.3
197.07350	1.4
198.04364	4.0
211.05157	2.5
211.08743	2.0
211.13393	1.9
212.05632	2.3
212.07245	3.9
213.06786	3.8
225.06746	3.5
226.07471	1.6
227.08302	10.4
237.03041	2.9
238.03670	1.7
239.04607	7.0
239.08296	2.1
241.09912	1.7
252.05438	3.2
253.06264	3.8
253.09471	8.7
254.03441	2.0
254.07033	2.2
255.07721	16.2
265.02560	4.0
267.07736	9.4
271.07318	1.9
279.07919	1.5
280.04996	4.0
281.09396	8.4
287.10361	10.8
293.36215	1.2
297.12436	2.2
298.04785	1.3
299.10394	2.9
309.08832	14.0
311.06577	1.3
339.09995	4.8
341.11499	19.3
343.21231	21.5
357.10165	2.2
367.09280	9.9
369.06308	3.6
373.14093	19.8
385.10532	4.5
387.11069	1.5
399.07101	2.9
399.12048	11.1
417.12988	66.5
417.24887	2.6
418.13358	1.6
434.24927	1.7
435.25717	2.2
459.14395	5.8
489.09964	1.4
519.31659	1.8
579.18488	100.0
579.32611	10.6
580.18719	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20221	4.8
55.59676	5.4
57.01936	4.4
61.98823	5.4
65.00316	10.9
70.71259	10.8
83.01400	6.8
89.02459	5.8
104.47064	5.1
107.01395	20.1
119.05027	32.2
137.02403	9.4
151.00372	100.0
166.02687	51.3
173.11639	4.7
177.01894	9.2
181.05064	65.8
247.36308	5.1
269.04523	16.7
270.04953	13.3
271.06067	61.3
313.07043	6.0
387.10764	12.7
402.13077	10.3
417.15506	93.0
459.11368	12.4
502.43900	5.6
579.16962	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68621	0.9
57.60779	0.9
59.01380	100.0
59.93917	1.0
69.11033	5.9
76.94061	1.0
81.26437	1.1
121.02959	1.5
126.90438	7.6
134.74127	1.1
147.04555	1.2
163.72801	1.0
175.04036	1.1
177.07408	1.0
187.26105	1.1
190.06349	1.8
263.06989	1.3
281.08145	3.1
297.07739	10.1
308.10684	1.2
309.07797	10.7
309.11108	2.3
312.10031	8.8
323.09244	1.7
324.10068	9.4
327.12390	39.5
339.12357	37.4
340.12665	1.4
417.10614	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	53.0
59.33889	2.2
59.39068	1.9
60.84123	2.0
61.98837	19.0
68.53191	2.2
69.10241	5.5
69.10650	7.1
70.44936	2.2
71.01371	12.5
85.84743	2.6
89.02445	17.2
101.02430	5.2
113.02468	5.1
116.05464	2.4
119.03493	8.5
121.02973	6.1
136.01659	44.5
137.02484	2.4
151.04012	73.3
160.56938	2.1
161.04465	2.6
163.03963	3.2
166.02591	2.7
166.62572	2.3
179.05659	5.9
281.08069	3.9
309.07596	18.2
324.09967	10.2
339.12378	22.3
342.11127	11.7
357.13409	100.0
358.13712	5.3
389.11938	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	579.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92390	13.3
57.03430	13.5
59.01369	34.6
61.98830	83.8
65.85070	11.4
71.01375	16.0
74.64879	12.8
81.89437	11.8
88.98788	16.6
147.19531	14.0
203.66551	14.2
235.08443	13.0
253.09164	35.4
289.18051	100.0
315.07700	12.0
369.06192	22.2
399.07053	24.8
528.42578	13.8
559.71649	17.1
579.13446	51.3
579.26025	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.1
61.98832	12.7
63.96223	0.8
69.03452	0.7
69.16547	3.1
71.01376	6.9
73.02932	1.3
78.95898	6.2
78.98592	5.6
79.95734	9.8
80.96517	63.2
81.03455	1.0
85.02970	2.5
87.00893	2.6
87.65732	0.5
93.31390	0.5
94.98087	13.6
96.96011	56.2
97.02943	1.3
101.02444	1.8
106.98077	2.4
114.93414	0.6
122.97625	2.5
125.02451	3.0
127.04018	0.7
129.48941	0.5
134.97603	4.2
136.99123	1.3
148.99139	5.5
152.98538	4.1
152.99742	2.5
160.13467	0.5
164.98630	11.6
170.95726	0.5
171.00612	1.0
177.89735	0.9
178.90567	1.0
178.94269	0.6
194.89998	1.0
194.93764	1.1
195.24054	0.6
206.99666	1.6
215.85124	0.5
225.00745	15.4
245.04333	3.3
253.21646	1.7
279.23270	2.0
281.24835	3.4
299.04385	3.2
333.97156	0.5
334.14514	0.5
343.01022	1.4
440.42380	0.5
481.25760	3.8
506.32703	1.3
543.15741	0.6
579.28418	100.0
580.28766	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
61.98832	60.1
62.98544	1.8
64.77999	0.9
68.22831	1.0
69.13638	2.9
69.14066	3.4
71.01382	6.3
73.02940	2.1
78.95896	2.8
78.98589	6.2
79.95727	7.6
80.90614	0.9
80.96519	63.2
85.02944	1.6
87.00871	3.8
94.98087	12.6
96.96013	1.3
101.02461	2.1
106.98083	3.1
122.97591	4.8
125.02417	2.3
127.04029	1.0
127.33184	0.9
129.64935	0.9
134.97592	3.0
148.99155	6.4
152.98627	6.0
164.98633	9.5
182.99680	1.8
206.99654	2.0
225.00734	17.7
271.06503	0.9
279.23334	3.0
281.24860	5.0
299.04471	3.5
307.06653	1.1
307.70605	1.0
373.64801	1.0
478.29926	2.0
506.32614	1.2
579.28448	100.0
580.29120	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	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
59.12265	0.2
61.98828	100.0
69.10016	1.2
70.38425	0.2
78.95913	0.8
90.67276	0.2
152.99600	0.4
277.21713	3.4
278.22083	2.6
279.22388	1.6
280.22699	1.3
284.84769	0.2
502.29559	0.9
503.29733	0.5
504.30533	0.3
505.30295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
61.98830	100.0
69.24014	0.8
69.24415	1.3
78.95926	1.7
116.72439	0.3
152.99600	0.5
261.76105	0.3
277.21719	2.7
278.22095	1.3
279.22485	0.8
280.22784	0.5
282.00290	0.4
311.45352	0.4
365.26990	0.7
473.43994	0.4
502.29611	1.3
503.29514	0.4
504.30090	0.6
505.30255	1.6
561.28442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04380	0.5
59.01384	0.9
60.72373	0.5
70.88345	0.7
74.04015	0.4
79.58132	0.4
109.02960	0.5
132.02185	2.1
133.02959	29.3
135.03603	0.9
135.04533	10.0
149.06032	0.8
160.01633	0.6
161.02448	100.0
162.02798	1.4
163.78352	0.4
175.03947	0.5
177.05579	1.0
179.03508	16.7
203.03534	3.5
203.63016	0.5
221.04599	0.7
255.23241	1.5
269.24844	1.0
346.09308	0.5
579.31775	18.3
580.32513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03165	1.0
57.03449	18.9
59.01380	18.8
59.49903	0.4
61.98830	100.0
67.39389	0.5
69.91997	1.5
71.01392	4.0
73.02953	1.3
75.00886	0.8
83.01399	0.6
85.02987	1.4
87.00858	0.5
89.02441	4.1
99.04517	17.3
101.02450	6.3
113.02493	1.5
119.03517	1.7
125.02437	4.8
131.75075	0.5
143.03548	1.1
156.56902	0.5
160.01689	0.5
161.04570	1.2
175.04216	0.6
179.05637	1.0
220.03137	0.5
234.27861	0.5
255.23132	0.4
291.12155	0.5
291.40298	0.5
368.68866	0.6
373.22253	0.8
387.59363	0.5
415.23605	1.4
455.26910	1.0
492.29504	1.3
517.26605	14.2
518.26508	1.0
580.24109	0.8
580.34827	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	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.2
61.98830	35.9
63.99256	4.3
64.81213	0.5
70.44241	0.8
71.01414	0.6
78.95904	20.2
80.96521	1.4
85.00470	0.6
100.36328	0.4
152.99620	3.1
168.04317	2.5
224.06935	7.5
242.08018	1.3
279.23590	0.8
281.24860	100.0
282.25171	3.4
341.79739	0.6
393.93292	0.7
506.32516	71.0
507.33157	3.6
580.29120	1.2
587.45471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
60.13931	1.1
61.98829	40.8
63.99247	4.5
69.17238	2.5
69.17648	4.1
78.95899	5.7
80.96516	2.5
83.59602	1.0
85.00426	14.7
112.05543	1.1
114.35223	1.1
124.11209	1.1
152.99565	2.0
168.04329	1.1
197.38939	1.1
224.06735	1.1
242.08006	2.0
281.24850	100.0
282.25153	3.8
506.32532	38.7
580.29102	5.5
594.46692	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	580.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
57.03436	4.3
58.03576	1.3
59.01378	100.0
61.98831	17.4
70.06780	0.9
71.01382	41.9
72.99317	1.7
73.02948	11.8
75.00873	2.4
83.01389	7.0
85.02953	15.4
87.00877	2.2
89.02444	20.7
95.01395	2.8
99.00883	3.5
99.04536	1.3
101.02441	33.6
108.02181	5.1
111.92103	0.8
113.02444	20.4
115.00377	1.1
116.78714	1.0
119.03502	10.1
125.02438	1.6
129.01947	1.7
133.01399	1.3
137.02478	1.4
143.03522	2.0
144.78845	0.9
149.04547	1.2
159.03021	2.8
161.04536	17.5
175.04025	1.2
179.05647	4.8
201.41931	1.0
205.05032	1.1
220.07475	1.1
241.60378	0.9
289.18188	2.1
327.19647	2.1
341.10403	1.8
358.24084	1.7
358.29785	3.1
360.21509	1.1
361.22510	1.1
376.24878	10.2
401.16022	11.0
418.21194	1.1
418.26154	1.3
470.49866	1.0
520.34888	68.5
521.35211	3.0
580.14081	2.5
580.35779	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	581.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.1
61.98840	6.3
68.63205	3.9
69.11177	24.6
78.06099	4.7
81.03452	15.0
83.01384	14.6
84.41224	4.2
95.01418	5.7
95.05022	7.8
97.02947	11.7
99.04533	11.2
109.02928	6.8
111.04504	7.0
117.03474	4.7
119.05006	4.7
123.04476	21.2
125.02455	56.8
132.70737	4.0
135.04538	8.2
137.02411	21.5
137.06035	5.3
139.04013	8.5
151.03999	7.6
153.05644	5.7
156.24066	3.7
165.05519	8.9
167.03482	65.0
178.02661	4.4
179.03453	20.8
181.05148	4.5
191.03542	5.3
197.04578	22.3
199.56860	4.4
204.07166	3.6
209.04533	100.0
221.04701	6.4
239.05595	98.5
251.05576	5.9
266.85416	4.5
269.06653	55.4
281.06702	11.8
299.07739	23.9
311.07590	10.2
329.08847	20.8
341.08728	5.8
371.07739	28.6
401.08612	31.9
413.08722	4.9
419.11948	18.2
431.09760	11.9
461.10886	16.5
473.11493	6.2
491.11880	15.0
581.14813	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	581.1822
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
55.55456	0.8
62.96406	1.2
69.23831	5.1
78.95903	100.0
80.97482	1.4
81.59508	1.0
84.93848	1.3
92.51334	0.9
96.96006	4.1
96.96967	4.8
98.95576	2.8
99.35183	0.9
99.92583	12.2
100.92738	1.5
100.93369	19.8
115.92072	21.8
116.92857	29.5
125.37951	1.0
125.66402	1.2
130.41045	1.1
148.91006	1.7
150.97978	4.0
152.99588	28.6
154.94409	1.2
155.95242	2.2
156.95934	1.9
162.88960	2.0
163.89742	3.7
164.90518	12.0
171.00652	15.7
172.95464	7.0
178.88426	14.3
178.92029	0.9
179.89227	34.2
180.90030	29.4
181.90831	7.1
188.90514	1.6
189.91194	0.9
190.92001	1.3
194.87935	0.9
196.89496	35.6
197.89482	1.1
204.90041	1.7
205.90805	11.8
206.91600	6.5
218.91426	1.2
219.92317	1.6
220.93024	1.7
221.90300	2.1
234.91046	2.6
235.89879	1.2
235.91862	12.7
236.92627	34.6
237.93373	1.4
249.89777	1.0
252.92194	4.7
253.92958	2.3
270.93121	3.6
276.95752	3.0
278.93695	5.2
281.24927	2.0
282.25262	1.4
292.95221	3.6
307.26636	1.0
309.95654	1.7
310.96326	11.0
326.95630	1.1
473.14038	5.6
490.14203	5.9
515.15735	1.0
533.16376	5.3
545.16119	5.1
563.17334	9.6
581.18237	93.7
582.18304	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	581.2239
Annotation	Briaexcavatin P
Peak:m/z	Relative Intensity
59.01374	25.3
61.98830	100.0
69.59264	6.3
69.59656	12.1
71.01369	15.5
85.02927	5.4
89.02437	10.1
98.22536	8.0
101.02418	10.5
102.12530	3.7
113.02457	6.4
147.95360	3.6
149.02444	9.1
150.03201	13.6
151.04015	7.4
164.04779	7.2
165.05542	12.2
181.05009	5.4
190.06302	7.8
191.07040	4.6
193.01274	5.1
195.06528	5.2
205.08635	8.2
208.03792	10.9
208.07367	7.6
223.06186	17.7
226.33540	3.7
313.10867	6.4
344.12683	12.9
359.15057	26.8
389.16113	40.1
419.12946	19.5
452.01898	4.6
521.20209	96.9
581.22131	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38392	1.8
59.01379	100.0
61.98836	12.9
62.58522	1.8
67.66511	2.1
71.01381	55.6
72.99321	2.0
74.60472	1.8
75.74226	1.8
82.87022	1.8
83.01409	2.2
85.02938	13.5
87.00888	3.9
89.02447	83.0
95.01385	3.8
101.02444	38.3
106.91665	1.9
113.02457	22.9
119.03504	40.7
131.03482	4.8
134.73746	2.1
134.78279	2.0
143.03519	6.5
149.04549	3.8
161.04561	7.0
175.04039	3.1
177.05563	2.0
179.05602	17.3
187.03987	5.9
188.04628	2.4
189.05573	3.0
190.06328	2.7
191.07092	3.4
205.05060	6.8
220.07376	5.4
235.09712	5.7
237.88559	1.9
327.51089	2.0
338.97498	2.1
341.10281	7.1
356.12463	4.1
371.15128	3.3
401.16006	49.4
461.34155	2.1
521.25983	3.0
581.22577	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	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94040	2.8
57.03450	2.6
58.24775	2.3
59.01377	100.0
61.29376	2.5
61.98826	38.2
62.13829	2.1
63.15684	2.3
71.01375	51.4
79.15810	2.3
83.01361	2.7
85.02954	8.9
87.00869	2.9
89.02442	71.7
95.01386	4.8
98.22301	2.8
101.02440	27.9
113.02441	26.0
119.03485	28.4
137.02470	3.7
143.03503	8.2
149.02464	2.6
153.05472	2.3
161.04576	6.3
172.83592	2.4
175.04005	5.5
179.05634	14.2
187.04118	4.0
188.04851	2.6
199.30443	2.8
202.06290	3.2
205.05016	4.8
220.07365	4.4
235.09727	3.8
236.97122	2.8
284.95630	2.4
356.12900	3.7
401.16010	41.2
525.16858	2.6
574.76318	2.6
581.22272	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	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.4
61.98824	8.3
65.13394	4.6
65.70225	5.2
70.75597	9.3
86.28040	4.8
99.62076	5.2
183.57248	5.4
253.09232	25.8
291.19666	32.4
296.42065	4.9
309.20679	100.0
545.29688	97.8
581.27478	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	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.5
61.98820	5.8
62.62269	3.5
63.83386	3.4
69.27195	22.9
73.60065	3.6
84.93254	4.1
130.81906	3.6
193.02409	4.0
253.09314	21.5
291.19629	25.8
309.20718	100.0
310.21014	5.7
361.72125	4.0
545.29712	97.3
546.30042	6.8
581.27631	17.0
593.85522	4.2
595.73431	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	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15948	7.7
51.06496	7.7
59.01372	22.3
61.98827	28.1
69.40850	20.5
69.41243	18.9
106.68903	10.6
122.94675	8.9
148.39668	9.1
221.16499	8.5
253.09239	31.7
291.19589	29.2
309.20700	100.0
581.27557	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	81.4
61.98821	74.3
69.13881	39.9
69.14293	100.0
98.21883	47.6
103.64841	18.6
155.46429	25.6
167.97902	21.9
203.10789	20.3
253.09320	48.1
309.20663	84.5
326.50540	26.5
380.48578	24.0
581.27014	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.2
61.98827	1.4
63.96243	1.4
71.01375	5.5
73.02934	1.3
76.08951	1.0
78.95885	3.6
78.98592	6.6
79.34237	1.2
79.95725	9.5
80.96516	59.4
85.02947	3.7
85.84471	1.2
87.00882	2.8
87.03094	1.1
94.98082	14.2
96.96010	20.5
97.02894	1.1
98.84937	1.0
101.02422	3.4
106.03124	1.0
106.98080	2.4
122.97583	3.4
125.02430	3.8
127.03912	1.1
134.97580	3.6
148.99181	6.7
152.98628	5.7
152.99689	1.6
164.98596	9.6
182.99696	1.7
206.99622	2.5
221.37666	1.1
225.00711	16.4
243.01741	1.1
255.23318	3.1
257.03122	1.3
281.24838	3.4
293.49213	1.1
299.04376	1.9
483.27216	3.1
581.29974	100.0
582.30524	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	581.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03432	2.8
59.01378	13.6
61.98828	13.1
69.03455	0.8
71.01382	11.3
72.99302	2.9
73.02955	5.1
75.00858	0.9
81.32711	0.8
83.01385	2.6
85.02942	4.8
87.00869	2.6
89.02457	4.9
95.01333	1.0
96.96023	0.8
97.02934	1.2
99.00890	2.3
99.04460	0.8
99.92541	0.7
101.02453	6.9
113.02454	3.9
113.09743	0.8
119.03534	1.3
125.02386	1.8
127.11211	0.9
128.03514	0.8
131.03514	0.8
144.35738	0.8
219.13757	0.8
241.21579	0.6
269.21191	2.5
285.20721	1.1
287.22287	28.7
288.22748	1.1
299.22165	0.9
301.23715	0.7
341.10608	0.9
376.28574	9.2
390.45370	0.6
431.26434	3.3
441.42569	0.8
449.27579	28.1
450.27734	1.7
471.90616	0.7
521.33179	4.0
522.64532	0.7
581.31757	100.0
582.32111	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	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98829	100.0
70.46696	0.5
70.47033	0.3
78.95921	0.4
116.77699	0.2
124.56322	0.2
152.99600	0.4
196.93065	0.2
260.40359	0.2
279.23315	2.6
280.23651	1.3
281.23929	0.9
282.24167	0.5
288.12134	0.3
367.44272	0.3
504.31100	1.1
507.32031	0.7
581.31635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.01791	0.3
61.98828	100.0
78.95925	1.3
80.96391	0.2
82.96101	0.6
88.43308	0.3
102.25331	0.3
152.99579	0.5
156.08556	0.3
168.18495	0.3
227.11786	0.3
279.23270	2.4
280.23615	1.9
281.23874	1.4
282.24228	1.2
458.67288	0.3
504.30817	1.3
505.31799	0.7
506.31818	0.6
507.31726	2.8
573.23322	0.3
581.26758	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	582.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16291	0.9
54.66055	0.9
61.98829	100.0
65.73203	0.9
69.10532	0.8
69.79359	2.8
201.15102	0.8
214.54037	0.8
226.31029	1.1
329.13275	1.0
360.25467	3.8
439.22385	0.8
444.80234	0.9
495.74265	0.8
562.33398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61524	0.8
59.51821	0.6
61.98827	100.0
67.39281	0.6
69.02724	0.7
69.23853	2.1
69.24255	1.7
74.27581	0.6
93.13921	0.7
98.22445	2.5
108.90404	0.7
120.94267	0.7
234.97937	0.8
251.88924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88783	1.1
57.03438	2.0
57.38488	1.2
59.01376	7.6
61.43470	1.2
61.98840	8.3
62.52196	1.2
67.63915	1.2
69.18262	2.9
69.18653	3.3
70.02979	1.5
71.01394	6.9
72.99310	3.0
73.02938	1.8
74.02487	1.4
75.00850	2.5
78.95935	1.2
81.03465	5.0
83.01391	6.8
85.02959	3.3
87.05637	20.7
88.04045	2.2
88.98810	7.0
89.02448	2.4
89.10574	1.5
93.03477	2.3
95.01394	1.5
95.05035	3.7
96.00932	1.9
96.95998	3.3
97.02955	3.1
97.04008	1.6
99.04510	3.2
101.02428	3.9
107.04991	2.2
108.02187	1.9
109.02960	10.6
109.07700	1.4
111.04517	1.7
113.02423	3.7
113.07201	4.3
114.05598	3.1
115.00361	5.5
116.92882	3.1
121.02940	4.5
123.04514	12.6
123.05315	1.6
125.02448	16.7
125.07210	3.2
127.05037	1.2
128.03549	2.8
129.10341	1.5
130.08743	37.8
133.01448	8.7
133.06609	1.5
134.01744	1.8
134.89499	2.7
135.04515	13.5
135.11736	1.6
136.04041	2.7
137.02441	8.5
137.06093	4.8
139.04048	8.3
140.07164	1.9
141.06773	1.7
143.11885	29.6
147.04546	1.7
149.02516	2.1
151.04036	4.4
151.07616	2.2
153.05566	2.0
153.06708	5.6
158.09337	4.1
161.04611	1.4
161.06065	2.4
163.04007	3.7
165.01973	2.4
165.05591	5.6
165.10332	5.2
166.08765	2.3
167.03496	27.4
169.09891	3.3
175.03940	3.0
177.05542	2.0
179.03519	8.7
179.10699	6.3
180.04301	1.7
181.05046	2.9
182.12961	2.5
185.11781	1.3
187.04099	1.9
189.05637	1.6
191.03468	2.1
193.04985	3.7
195.06447	1.4
197.04576	6.0
200.39763	1.4
205.05081	2.3
209.04541	32.1
219.06544	1.6
221.04625	7.1
222.16147	1.6
223.06200	2.4
223.09619	8.8
233.04649	1.6
239.05569	20.4
240.17172	37.3
240.19557	2.6
251.05544	13.7
253.16713	16.3
263.05597	4.5
269.06607	4.4
271.17798	10.8
281.06714	8.0
284.16199	15.5
285.04080	3.3
289.07428	1.3
293.06619	2.6
311.07678	2.3
331.08261	8.5
343.08289	3.2
361.09100	2.8
370.78110	1.5
373.09262	73.4
374.09521	3.0
385.09174	3.8
385.15021	6.8
390.16080	1.9
391.16736	3.3
403.10349	61.3
404.10556	3.8
408.22482	8.1
415.10202	2.8
427.10324	1.8
433.11380	28.5
445.11334	10.9
447.09549	2.7
463.12448	21.2
475.12137	7.4
493.13492	19.4
505.13638	3.3
523.14459	2.0
539.31976	100.0
540.32336	1.7
547.14606	1.8
565.15656	3.5
583.16608	17.4
583.34894	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03842	2.3
59.01376	22.0
61.98818	9.8
66.31227	2.4
70.69619	2.9
71.01375	12.2
73.02999	2.9
74.61934	2.4
85.02955	5.1
89.02425	9.0
96.49910	2.6
99.00882	2.5
101.02434	8.0
107.71043	2.3
113.02441	3.6
119.03485	3.3
122.99708	2.6
125.02477	3.2
127.12463	2.5
137.02415	10.0
138.03195	3.5
139.03937	2.9
151.03995	5.3
163.04033	3.0
180.04286	6.0
181.05063	10.7
195.06602	16.8
370.83176	2.9
373.09100	3.8
388.15115	3.8
391.13840	4.6
403.17780	3.5
406.16257	9.5
421.18701	32.6
468.19308	2.6
583.23926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3096
Annotation	Caracurine V
Peak:m/z	Relative Intensity
55.25459	0.7
59.01367	1.3
71.01382	1.1
82.02970	1.5
88.04037	63.3
93.03460	0.8
96.96017	1.7
98.02461	2.4
101.07188	3.6
105.03485	1.1
108.02119	1.0
109.04066	2.6
113.07207	2.1
114.05587	1.1
115.08730	3.4
116.07166	1.6
122.09737	0.8
123.04472	0.7
125.02432	0.9
125.03439	0.8
125.07164	1.0
126.05598	1.7
127.05135	16.0
128.03453	0.8
133.02937	4.8
135.04482	3.2
138.05557	1.6
139.08804	0.8
141.06700	2.6
143.07010	0.8
143.11899	7.1
145.06161	5.4
145.18391	0.7
151.08759	5.3
153.06628	1.5
153.10245	0.9
155.08240	1.1
167.11888	1.8
169.09755	2.4
169.13660	0.6
170.13733	0.9
177.01929	3.2
179.03462	2.4
179.32074	1.0
180.07808	1.1
181.06154	3.3
186.12447	2.8
187.10980	1.8
195.11415	7.1
212.14003	1.0
240.17184	7.9
250.19290	1.7
253.16638	1.3
254.15273	0.8
262.15570	1.2
279.14609	8.0
284.16168	12.9
297.15707	4.5
298.14130	0.8
301.07123	0.8
321.22974	1.4
361.22208	2.2
432.26260	5.6
450.27283	1.4
454.26651	2.3
476.24847	2.5
494.26138	9.4
565.21460	1.4
565.29858	17.1
583.30908	100.0
584.31348	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	583.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19566	1.0
57.03441	3.5
59.01381	6.9
60.99289	2.2
61.98825	6.8
71.01373	3.9
72.99300	2.5
73.02937	2.6
73.04056	1.7
74.02465	1.1
75.00848	1.9
83.01366	1.3
85.58317	1.3
87.05635	23.1
88.98799	13.3
89.02432	2.1
96.96020	2.5
99.04506	3.4
101.02423	1.5
108.02161	1.6
113.03635	1.1
113.07207	3.1
114.05544	2.1
115.00336	1.7
116.92861	2.3
123.04514	1.6
123.05611	2.0
125.02424	3.3
125.07213	4.2
126.60733	1.0
127.08765	2.7
128.03522	1.2
130.08742	37.5
133.01376	1.6
134.89445	1.1
136.04027	2.8
137.02408	1.3
139.03935	1.1
139.08847	1.6
140.07167	1.8
141.06708	3.4
143.11893	24.4
153.06671	6.8
155.08238	1.3
158.09349	5.3
161.04623	1.5
165.10280	3.6
166.08727	2.3
167.03481	1.5
169.09804	3.0
179.03348	1.4
182.12941	2.8
185.11800	1.9
187.11026	1.4
195.73799	1.1
209.04582	1.2
210.15971	1.9
223.09737	1.9
231.60460	1.0
239.05453	1.5
240.17174	37.9
251.05685	1.4
253.16768	16.4
271.17746	10.0
284.16095	14.5
333.04266	1.2
361.18536	2.2
361.25845	2.9
373.09241	6.0
385.15039	2.1
403.10193	5.3
408.22516	7.2
449.68927	1.2
463.12323	1.5
475.12671	1.1
539.31989	100.0
540.32196	5.4
583.17310	2.4
583.34851	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25463	0.4
61.98829	100.0
69.12432	0.3
70.75702	0.4
70.76062	0.4
79.10343	0.4
112.36228	0.3
114.83753	0.4
163.52879	0.4
217.44933	0.4
393.18286	0.4
429.32242	0.4
471.63010	0.6
553.88019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37937	1.1
61.98832	100.0
71.06215	1.2
95.40437	1.1
95.59177	1.1
126.88139	1.3
186.35898	1.1
230.58243	1.1
313.58194	1.1
461.05331	1.1
568.67523	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	584.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34965	0.5
61.98828	100.0
73.63375	0.6
75.95963	0.6
104.45644	0.6
131.49683	0.5
140.76360	0.6
154.90102	0.5
217.90492	0.5
262.73633	0.6
381.90729	0.6
399.51907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30347	0.2
61.72479	0.2
61.98828	100.0
67.44074	0.2
70.96388	0.4
91.87251	0.2
101.09005	0.2
115.85821	0.2
125.20696	0.2
141.28427	0.2
164.97211	0.2
170.05858	0.2
200.78102	0.2
289.36102	0.3
313.78098	0.3
373.79108	0.2
499.16898	0.3
535.53455	0.2
584.31415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16220	2.1
59.01379	3.1
65.01446	9.4
69.00924	14.3
83.87252	2.4
85.95267	2.0
89.02400	3.0
97.69756	2.0
98.21799	4.4
101.02453	3.2
229.20316	2.3
246.21466	2.3
253.09273	15.4
277.21722	100.0
278.22122	4.5
352.73874	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	584.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01217	0.2
58.48387	0.3
59.01375	1.0
61.98829	100.0
69.81989	0.8
71.22782	0.2
80.14964	0.2
84.18733	0.2
86.88422	0.2
89.02525	0.2
99.04581	0.3
101.02454	0.2
108.02190	0.3
182.33102	0.2
245.84221	0.2
301.18054	0.4
584.32440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36536	0.3
54.08141	0.3
57.03434	0.6
59.01374	2.4
61.98828	100.0
64.92110	0.3
67.25217	0.4
71.01379	0.9
71.45689	0.4
89.02454	0.4
91.50159	0.3
101.02460	0.6
125.69283	0.4
130.08760	0.7
135.57597	0.3
150.03221	0.7
153.42468	0.4
195.06660	0.4
240.54234	0.3
362.26715	2.2
376.28561	2.0
549.23932	0.5
549.32721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
57.23804	0.2
58.58057	0.2
59.01384	1.4
61.98829	100.0
66.30755	0.2
71.01375	0.5
73.02931	0.4
75.00890	0.2
85.02974	0.4
89.02466	0.4
94.52763	0.2
96.96037	0.4
97.36069	0.2
98.21899	0.6
99.04533	0.2
101.02448	0.6
111.00879	0.3
113.02480	0.3
122.57661	0.2
137.48198	0.2
217.78665	0.2
272.08902	0.2
312.11404	0.2
368.63055	0.2
523.35059	0.3
524.35309	2.1
584.31122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.4
60.08929	0.3
61.98833	2.4
69.11349	0.5
69.11761	1.1
71.01379	1.9
73.02934	0.6
75.38047	0.2
85.02937	0.8
93.03458	0.3
96.59482	0.3
99.00922	0.3
101.02444	1.2
106.29229	0.2
108.02171	12.8
113.02449	1.2
121.02953	7.8
122.03722	1.5
135.04526	0.3
136.05247	0.4
161.04510	1.9
216.97792	0.2
222.48743	0.2
228.72656	0.2
234.22006	0.2
237.79890	0.2
242.46481	0.3
258.44568	0.3
273.46841	0.2
297.83890	0.2
344.25909	0.5
360.25308	1.4
361.26190	14.3
362.26971	100.0
363.27304	3.5
376.28702	0.7
404.28030	0.3
414.21786	0.3
524.32574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02234	2.0
59.01371	9.6
59.75716	1.6
61.65896	1.8
61.98835	2.5
69.18774	6.4
69.19170	4.6
71.01380	1.9
76.33392	1.8
94.48400	1.7
98.21828	3.1
108.02164	12.0
112.67984	2.4
121.02983	7.3
148.90990	2.0
161.04532	2.0
201.71288	2.3
223.41997	2.2
224.84709	1.9
258.80490	2.2
263.34036	2.0
361.26266	12.9
362.27002	100.0
431.62463	1.9
552.47375	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	586.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41866	2.1
52.93995	2.2
57.41176	2.0
60.92905	1.9
69.41784	10.1
87.00885	5.4
87.92532	59.8
88.93334	4.4
89.94093	2.7
98.21839	4.5
101.94101	6.2
103.92032	100.0
104.92102	2.5
104.92813	48.9
105.93578	9.4
106.94373	4.7
111.00874	15.5
114.94907	2.7
123.94643	4.4
127.92058	16.4
127.95670	11.8
130.94376	3.0
144.29013	2.2
145.96729	87.3
147.94601	2.6
152.95915	2.4
155.95129	10.9
161.96213	68.5
163.97804	9.9
170.97191	2.2
171.94637	12.7
172.95444	3.4
176.77179	2.4
189.95720	10.9
191.01956	22.7
199.94138	90.1
200.94759	3.1
210.99121	2.3
213.95709	2.6
243.93126	7.3
273.97943	2.4
282.24738	2.0
303.95227	21.1
333.96158	4.0
355.89423	2.6
405.98352	5.7
423.99344	6.3
452.06058	10.5
482.03519	8.5
508.47278	2.4
568.03918	2.4
575.42310	2.7
586.04724	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.02577	0.4
104.81826	0.5
129.28008	0.4
137.23152	0.4
355.71030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22029	0.5
58.84249	0.5
61.98831	100.0
70.65115	1.0
95.13913	0.5
193.42975	0.6
197.70258	0.6
205.88078	0.6
211.88884	0.6
332.24228	0.6
375.04901	0.8
376.05310	2.1
432.94650	0.6
466.08435	0.9
523.10645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02283	0.4
61.98828	100.0
76.02961	0.5
76.41503	0.4
83.29498	0.5
101.57668	0.4
146.41052	0.5
177.56572	0.4
198.47021	0.5
422.17416	0.5
437.20587	0.6
471.69376	0.5
528.42511	0.5
549.49475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.6
59.01382	25.1
61.98831	52.8
67.37083	3.4
70.52000	3.7
70.52357	6.0
71.01366	9.8
73.02931	4.6
73.04075	7.9
74.02470	7.0
75.00856	15.5
78.95916	3.8
82.95367	4.6
87.05642	8.0
89.02443	9.1
89.25526	4.5
90.26775	4.3
96.00932	8.3
98.02454	5.3
99.04507	5.7
101.02436	5.9
102.05614	25.8
108.02162	11.3
113.02426	8.3
115.05145	10.8
119.03525	5.7
124.47567	3.4
126.06730	6.9
127.05092	7.3
128.03534	74.5
129.10416	4.3
130.08737	23.6
140.07164	4.9
146.04601	25.4
155.11870	4.6
163.03954	8.7
165.05496	6.6
168.07770	14.2
186.08885	10.4
227.12772	4.5
270.21854	5.6
272.62173	3.5
364.25000	29.2
378.26450	4.0
387.24020	5.6
388.23996	8.5
389.18234	6.1
389.25406	15.3
413.23959	19.5
457.26459	10.1
467.02994	11.3
476.07556	4.0
510.93103	4.4
530.98059	3.8
542.28217	44.8
550.23907	6.3
568.30646	6.0
586.31030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40443	0.9
57.03448	2.2
59.01384	5.8
61.98831	25.3
62.05215	0.9
71.01388	2.6
71.45219	1.0
82.95376	1.0
88.04047	11.2
89.02454	1.5
96.96019	1.0
99.04481	1.6
99.05629	1.0
101.02433	2.1
108.02174	26.9
115.00368	1.3
119.03508	1.1
121.02978	1.8
125.02425	1.0
127.05151	0.9
128.03563	2.0
130.08727	2.4
136.31555	0.8
141.06625	1.3
152.50005	1.0
152.51266	0.9
175.02492	1.6
180.26607	0.9
189.07042	4.7
194.41286	0.8
209.12825	1.0
214.32275	0.9
225.11380	1.6
226.11688	1.3
272.08102	1.0
287.07129	1.3
298.17725	5.7
305.07098	1.3
316.22708	2.2
326.21149	5.0
344.22247	1.6
346.23819	1.1
363.24133	2.4
364.24930	100.0
365.09348	2.5
365.25095	4.2
378.26501	1.0
389.25397	1.2
396.17993	2.0
526.29968	3.2
586.25311	10.6
586.34625	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	586.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94670	0.1
57.03447	0.2
57.50380	0.2
59.01381	0.8
61.98828	100.0
63.99288	0.2
71.01383	0.4
71.47094	0.2
89.02477	0.2
96.00890	0.2
99.04541	0.2
101.02473	0.2
103.06189	0.2
106.52669	0.1
128.03595	0.2
137.84724	0.2
147.95122	0.2
161.02483	0.3
168.20819	0.2
236.76970	0.2
286.22986	0.2
412.18738	0.3
586.31824	0.2
586.34387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.177
Annotation	Matteuorienate C
Peak:m/z	Relative Intensity
57.03448	15.4
59.01382	3.1
61.98831	9.4
65.31213	0.4
70.45712	0.6
71.01391	0.4
73.02938	0.7
79.01875	0.9
81.03461	0.5
83.01347	0.4
91.05553	0.5
99.04523	11.7
101.02433	4.0
116.92876	2.6
119.05045	1.2
125.02454	10.0
135.04523	1.1
143.03487	0.4
145.02956	1.0
157.06606	0.4
179.03484	0.5
187.27000	0.4
209.09749	0.6
223.48254	0.4
237.09221	1.3
265.08627	0.4
281.08188	100.0
282.08548	3.4
305.08694	1.4
309.20795	0.4
323.09195	1.8
355.57693	0.4
367.86728	0.4
390.99756	0.4
497.91351	0.5
524.97717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01378	5.1
61.98832	8.8
63.79343	0.6
65.06216	0.5
68.86073	0.5
69.28142	3.3
71.01379	2.0
73.02924	1.1
82.95393	0.7
85.02939	1.0
89.02444	2.2
99.04462	1.4
101.02441	1.7
113.02428	1.3
116.92873	0.7
125.02460	1.6
128.03564	1.0
130.08792	0.7
143.04665	0.8
149.04587	0.9
153.01967	1.0
161.04665	0.8
179.05679	0.9
185.11826	2.9
203.31071	0.6
215.12907	2.2
239.65955	0.6
250.58247	0.6
270.29520	0.7
271.10898	0.6
283.19055	1.2
301.20197	12.5
315.21979	0.6
341.23303	0.8
353.23410	0.9
371.24380	2.7
387.24213	0.7
389.25433	100.0
390.25836	3.4
398.34546	0.7
587.28119	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	587.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.2
59.01377	4.9
61.98826	7.6
71.01366	2.3
71.44786	0.6
73.02941	0.9
75.00888	0.5
81.44429	0.5
82.95390	0.6
85.02953	0.7
89.02455	1.6
96.95988	0.6
99.04489	1.6
101.02406	1.8
113.02460	1.2
116.32012	0.5
116.92821	1.0
125.02427	1.1
130.08682	0.6
139.11243	0.7
161.04533	0.8
178.05109	0.6
179.05669	0.8
185.11871	2.9
214.12187	0.6
215.12888	1.7
283.19122	1.0
301.20166	11.8
353.23560	0.6
371.24426	2.0
389.25424	100.0
390.25757	4.2
587.28302	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47011	0.4
55.55764	0.4
59.01378	10.6
61.98823	1.3
65.80413	0.4
67.68116	0.4
70.75337	0.9
71.01377	2.0
73.02956	0.7
77.14378	0.4
85.02930	0.7
87.00813	0.6
89.02431	2.6
89.07505	0.4
93.25882	0.4
97.06610	0.5
97.21601	0.4
101.02448	2.9
113.02469	1.5
119.03485	0.5
148.08978	0.8
150.10526	0.7
161.04536	1.0
165.12831	11.7
174.51428	0.5
247.20641	6.4
253.09274	15.1
273.18643	4.2
291.19653	100.0
292.20026	2.1
469.64581	0.4
476.10516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.85170	0.2
64.61363	0.1
78.27655	0.1
81.37048	0.2
84.04496	0.1
102.48906	0.2
114.90900	0.1
119.16351	0.2
177.05667	0.2
194.17209	0.1
225.00038	0.1
234.27412	0.2
363.27179	0.3
364.27686	0.3
365.28140	0.3
409.64374	0.2
510.33563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32185	3.9
53.82166	4.2
59.01374	24.5
61.98830	100.0
67.11137	4.2
71.01369	11.7
89.02436	8.2
91.38962	3.6
98.29330	3.9
99.04505	7.7
101.02428	7.5
108.02161	4.4
120.24609	3.8
120.96706	4.0
124.95152	4.7
143.26628	4.4
150.70688	4.5
163.03860	3.8
272.09000	4.6
342.04980	4.1
389.25323	6.7
390.26343	7.4
400.18082	4.7
588.29706	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97276	2.6
59.01366	11.8
61.98834	24.2
69.14217	4.8
69.14617	14.1
70.58514	2.9
71.01378	5.1
73.58132	2.9
78.95900	5.4
89.42953	2.8
89.92111	2.7
97.02947	6.7
97.95607	2.6
101.02451	8.4
113.02441	3.2
135.44312	2.9
161.04517	4.9
171.10333	6.1
195.13908	7.5
197.11838	8.7
221.15393	6.4
223.13255	3.9
240.36121	3.1
253.09267	51.0
253.11716	5.0
291.19656	26.3
309.20734	100.0
310.21100	3.3
319.69427	2.8
334.38431	3.2
347.48953	3.0
421.53448	2.9
503.95627	3.0
504.03052	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	588.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18883	5.5
59.01379	12.7
61.98819	19.1
65.42394	5.4
65.42799	5.8
67.61636	6.5
69.16160	30.0
69.16570	14.4
69.42315	6.3
85.20694	6.1
98.22735	12.5
107.82969	5.7
118.91167	5.3
124.77521	5.5
137.02295	6.5
197.11771	18.9
211.13316	7.1
239.35365	6.4
253.09256	57.7
281.08286	9.0
282.08539	7.1
291.19629	41.2
307.17169	6.6
309.20721	100.0
454.20352	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	589.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	18.0
59.01377	38.3
61.98820	3.8
63.23203	0.7
65.98203	0.8
69.10736	0.8
69.54544	0.7
70.81512	0.9
71.01381	27.6
72.99292	1.5
73.02946	7.5
81.03458	1.0
83.01392	2.0
85.02943	4.6
86.42065	0.8
87.00877	27.3
88.73065	0.7
89.02432	13.1
93.03494	0.8
95.01395	1.2
97.02950	1.0
99.04515	15.0
101.02438	18.6
110.35675	0.7
113.02428	8.9
115.00373	42.5
117.03447	5.7
119.03503	5.0
120.09711	0.8
122.06312	0.7
123.04543	1.2
125.02451	10.1
129.02028	0.7
131.03494	2.0
143.03505	2.3
149.04541	1.8
153.55717	0.7
161.02480	4.3
161.04570	7.1
172.40585	0.9
175.02478	100.0
176.02812	2.2
177.01930	2.0
179.05606	11.3
191.03490	2.0
203.03574	2.4
203.05640	1.2
203.12773	1.3
215.03487	1.0
221.06647	4.4
251.07347	1.2
263.07697	1.3
266.05807	0.9
267.06583	0.9
279.06415	0.8
281.04541	5.1
283.06171	1.0
283.11905	0.9
293.04559	1.9
294.05331	3.2
295.06064	8.7
296.06558	1.0
297.07620	0.9
307.06097	1.2
311.05688	1.3
323.05594	25.4
337.07178	2.1
351.04895	2.1
353.06613	7.2
367.08221	1.2
367.21182	2.7
409.02530	1.7
413.08771	94.3
414.09183	4.6
425.08887	1.6
427.16101	2.4
441.08142	3.0
445.17053	15.5
445.22678	1.1
447.09210	1.2
471.09268	8.0
487.18304	3.2
534.01062	0.8
545.12982	6.2
546.13251	0.9
571.11115	3.0
589.11993	3.5
589.21783	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	589.3
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01377	5.2
59.13601	0.4
61.98826	3.9
69.37315	1.9
71.01385	2.5
71.29236	0.4
73.02975	1.1
75.00852	0.6
82.95413	0.7
84.37408	0.4
87.04530	0.9
88.04053	0.4
89.02454	1.3
96.96037	0.6
99.04496	2.1
101.02464	1.4
113.02457	1.0
125.02486	0.9
127.55966	0.4
128.03586	0.6
161.02449	0.5
161.04597	0.6
175.02534	0.8
179.05643	0.8
185.11926	1.0
186.65558	0.5
214.76137	0.4
215.12851	1.3
268.03775	1.7
269.04315	0.9
284.15109	0.5
301.19952	0.6
345.22910	1.1
367.00870	0.5
373.25958	3.5
389.25403	3.2
391.27005	100.0
392.27328	3.1
413.08755	0.8
431.09683	0.5
483.89877	0.5
529.06653	0.9
589.12982	0.7
589.29950	15.4
590.31018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17051	0.2
69.97935	0.4
69.98265	0.4
72.99303	2.1
75.00868	100.0
76.01207	0.5
93.00947	0.4
100.01330	0.2
148.00296	0.2
204.92267	0.2
288.73392	0.2
393.88620	0.3
547.38824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
63.67632	0.2
70.53341	0.3
71.01374	0.3
72.99302	2.3
74.48158	0.2
75.00870	100.0
76.01202	0.6
93.00920	0.4
101.02469	0.3
113.02452	0.3
176.82697	0.2
233.68350	0.2
248.09833	0.3
277.21701	0.4
378.15347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.01572	0.1
76.29207	0.1
82.15202	0.1
97.50988	0.1
142.23419	0.1
211.64365	0.1
286.97720	0.1
292.19812	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51903	0.1
61.98829	100.0
70.66599	0.2
71.03574	0.2
74.88278	0.2
115.19982	0.1
146.29674	0.1
149.73251	0.1
172.61945	0.1
292.19983	0.2
549.53046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.31
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51280	18.7
59.01368	20.1
61.98831	83.6
69.06524	100.0
69.06931	34.2
84.95172	16.4
91.30990	13.9
98.22591	44.7
123.74796	15.5
128.64011	15.6
250.17444	21.2
279.71826	22.0
320.17026	22.3
392.27988	49.4
472.39481	23.7
503.83710	17.8
590.30981	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	16.1
59.91898	14.5
61.74672	16.9
61.98826	100.0
66.64011	16.0
70.15256	24.8
70.15575	19.2
73.42902	15.2
84.76566	15.8
98.22028	28.2
155.41220	14.6
160.51433	18.6
204.30371	15.7
373.59052	17.1
392.28171	36.5
537.15979	17.5
590.30634	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.172
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03445	3.5
59.01381	9.1
61.98826	15.2
68.50825	1.0
69.47260	4.0
71.01385	3.5
75.00893	1.2
76.36451	0.8
82.09438	0.9
82.98099	0.9
85.02960	1.8
87.00886	1.4
89.02467	1.8
91.01894	1.8
98.22607	1.9
99.04523	3.4
101.02449	2.4
113.02443	1.9
119.01370	7.2
121.02956	2.1
125.02489	1.3
135.04510	3.4
147.00890	3.0
149.02426	15.7
161.02426	1.9
163.04022	2.7
164.04803	13.0
165.01915	1.6
175.00368	32.8
176.00952	1.0
177.01935	0.9
177.05592	1.3
179.03519	2.5
179.05658	1.2
179.07172	3.0
189.01971	1.2
190.02705	81.7
191.03381	4.9
205.05046	100.0
206.05588	6.6
207.02977	1.5
208.03720	3.3
217.01337	1.1
221.04453	1.0
221.08151	4.3
223.06097	29.3
232.03767	1.7
247.06152	7.6
265.07156	10.7
266.07474	1.0
295.08182	3.1
299.05600	1.6
323.07605	1.4
325.09332	7.1
367.10315	32.5
385.11182	1.7
396.20898	1.1
447.26010	1.1
511.59103	1.0
591.16412	8.6
591.24786	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.0
58.24747	1.7
59.01377	100.0
59.96915	1.5
69.03472	4.2
69.41776	7.6
71.01385	29.7
73.02947	14.6
75.00890	2.0
83.01385	15.9
83.05013	3.7
85.02955	5.8
87.00893	5.8
88.89361	1.5
89.02445	30.4
95.01390	3.0
101.00144	1.7
101.02435	24.8
103.62340	1.6
107.05034	7.5
110.23598	1.7
113.02456	19.0
119.03503	9.2
125.06077	2.1
131.03513	2.8
135.04492	1.8
143.03513	4.1
145.10240	1.8
149.04515	2.0
161.04584	4.8
161.09682	7.9
161.13359	4.6
163.11310	5.4
175.02480	2.8
179.05623	8.3
187.11276	10.0
189.09212	2.8
197.04126	1.7
205.12370	4.1
205.60107	1.7
207.10252	12.2
223.13390	57.2
229.12537	2.2
231.10210	2.6
249.11334	9.1
263.48373	1.9
267.12378	83.5
273.11273	3.3
291.12372	3.9
309.13406	6.3
321.13519	3.3
333.13586	2.1
339.14578	4.0
369.15527	7.7
411.16544	4.9
415.09286	2.2
429.17612	46.6
475.84583	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93644	1.5
57.03439	5.6
59.01383	19.7
59.68813	1.8
61.98830	15.9
69.03488	1.8
71.01390	8.9
73.02945	3.6
85.02956	8.4
87.00883	4.7
89.02454	3.0
96.96010	2.2
99.04499	3.9
101.02439	6.0
103.01508	3.9
113.02431	4.4
119.01393	4.6
121.06593	10.5
137.09721	35.3
147.00887	4.4
149.02454	20.2
161.02489	3.6
162.09654	1.8
163.04041	1.9
164.04784	18.1
175.00354	36.5
179.07097	3.2
189.02003	2.0
190.02727	88.2
191.03249	3.9
205.05046	100.0
205.12415	4.8
206.05418	3.4
208.03860	2.1
223.06099	37.8
241.13541	2.0
285.12375	2.7
325.09583	2.4
367.09897	3.8
389.27832	2.0
441.14078	10.5
447.25992	2.3
453.13934	33.4
516.22156	2.0
520.55548	2.1
573.23370	63.0
574.24170	5.1
591.24341	46.1
592.24481	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	591.2478
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
56.24253	1.1
59.01371	2.9
59.17007	0.9
61.98814	5.4
65.98460	0.9
69.45379	3.5
71.01381	6.5
73.02917	1.5
74.81837	1.0
78.98571	4.5
79.95744	10.4
80.96515	57.0
81.03425	1.3
85.02931	2.3
87.00858	1.7
94.98085	13.2
96.96033	1.2
97.02978	1.5
101.02432	3.4
106.98048	1.7
116.92855	2.3
119.76713	1.0
120.74802	1.1
122.97562	5.1
125.02456	2.9
134.97533	3.5
148.99069	6.2
152.98653	6.8
164.98643	10.0
182.99696	2.5
193.12303	1.0
206.99591	1.9
225.00758	18.7
243.01787	1.4
247.48878	1.3
253.09334	2.0
271.40100	1.0
291.19684	4.0
299.04532	2.1
309.20724	7.4
312.92334	1.2
356.45139	1.1
364.68140	1.3
511.41876	1.1
545.29608	1.6
591.24799	100.0
592.25262	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	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.14486	1.3
50.26889	1.2
50.47824	1.2
58.30294	1.2
60.67376	1.0
62.04835	1.0
70.70692	1.7
70.71012	1.2
71.32787	1.1
85.54171	1.2
111.91648	1.2
160.09998	1.3
264.95297	1.4
268.57730	1.3
309.80942	1.4
421.99060	1.4
430.17563	1.2
443.22540	2.9
444.19394	2.1
445.19843	2.1
447.25748	1.7
456.22919	1.3
459.21915	3.1
471.26138	2.7
472.23199	2.1
473.23337	1.7
482.20898	1.9
485.19815	3.4
487.24991	3.8
497.23416	4.5
499.21240	4.8
500.22070	16.5
515.24500	100.0
516.24835	7.6
559.23315	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73284	0.1
55.73120	0.1
59.37947	0.1
61.98830	100.0
62.70793	0.1
62.98530	0.1
64.16571	0.1
68.24442	0.1
69.21326	0.4
69.21748	0.2
75.99015	0.1
87.89901	0.1
98.22705	0.2
171.91524	0.1
180.06725	0.1
199.13510	0.1
341.37454	0.1
395.28107	0.2
592.32745	0.1
606.86987	0.1
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
61.98828	100.0
69.14328	0.8
69.45834	0.1
71.01349	0.1
79.95725	0.3
80.96528	0.4
82.22517	0.1
82.70458	0.1
105.26529	0.1
109.50931	0.1
116.39961	0.1
116.92867	0.2
132.71202	0.1
139.35684	0.1
147.82573	0.1
163.73985	0.1
198.53874	0.1
203.16585	0.1
261.19031	0.1
390.75992	0.1
421.48560	0.1
593.26318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98840	0.3
63.70553	0.2
71.01395	0.2
76.03191	0.2
77.03981	0.2
79.95787	0.2
80.96529	0.9
91.01875	0.2
91.81181	0.2
94.98103	0.2
109.63651	0.1
112.04874	0.1
120.02169	2.7
121.02956	100.0
122.03304	1.2
143.10796	0.6
164.98695	0.3
165.01920	4.2
166.02206	0.1
180.05820	0.5
181.05026	0.2
181.06596	2.5
182.31993	0.2
197.06075	1.9
207.04393	0.7
207.08221	0.2
209.04543	57.0
209.61983	0.2
210.04808	1.2
223.04030	0.3
225.00728	0.5
225.05576	1.8
235.35770	0.2
250.26642	0.1
251.07138	0.4
257.09692	0.4
301.08649	0.2
311.08990	0.2
313.07144	1.6
329.08194	0.2
357.05954	0.9
373.10806	0.5
383.07767	0.9
401.08734	0.3
417.09778	1.2
505.04257	0.3
505.11444	3.0
549.10370	7.6
550.10809	0.4
593.12994	12.7
593.26343	1.9
594.12976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.48070	0.3
59.01367	0.6
61.98838	0.7
63.02401	0.5
65.00328	1.0
69.34590	1.1
69.34995	0.8
83.01374	0.9
84.44888	0.3
93.03466	1.6
98.22655	0.7
107.01390	2.8
108.02186	0.4
116.77679	0.4
117.03482	0.7
125.02486	0.5
127.22091	0.4
132.02229	0.8
135.00890	1.8
137.02408	0.5
137.93489	0.4
143.04987	1.3
151.00366	2.9
155.04965	0.5
157.06573	0.4
159.04498	1.7
163.00369	3.3
164.01088	0.6
165.01913	0.5
167.05003	0.7
169.06657	0.7
171.04497	0.7
183.04488	0.7
185.06105	3.3
187.03976	4.1
189.05569	1.4
195.04526	0.9
197.06096	1.1
199.04002	1.0
201.05542	0.6
211.04034	3.5
212.04733	0.5
213.05574	2.1
227.03491	42.0
228.03864	1.2
229.05045	13.2
239.03435	2.4
240.04257	1.0
241.05090	1.3
243.02965	0.6
249.57787	0.5
255.02974	71.8
256.03659	5.2
257.04529	8.6
267.02911	1.3
283.02371	0.5
284.03256	77.5
285.04025	99.5
286.04352	2.3
327.05057	1.2
474.58710	0.4
527.19257	0.4
584.66321	0.4
593.15094	100.0
594.15576	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15741	1.9
69.16140	1.3
82.44111	0.5
93.03440	1.0
117.03477	5.0
119.05045	0.7
131.05153	0.6
135.04509	2.7
139.46291	0.6
145.02989	0.8
146.38766	0.5
149.02400	0.5
159.04559	1.0
161.02438	2.3
163.04068	0.9
175.04016	1.8
177.05597	1.2
187.03979	0.8
189.05586	0.7
191.03537	1.5
203.03503	1.2
221.04541	0.9
230.41272	0.6
233.04333	1.1
237.05534	0.7
267.06708	0.7
268.07324	0.8
281.04611	1.1
282.05380	2.4
283.06140	3.6
284.03119	0.7
295.06146	4.6
296.06885	3.6
297.07678	18.0
307.06140	2.8
309.07669	2.5
311.05524	3.1
323.05548	4.2
324.06454	1.7
325.07117	10.0
328.05774	2.3
335.05582	1.9
337.07230	3.4
341.06772	1.2
353.06644	44.8
354.07159	1.0
355.07999	1.4
356.05319	1.1
365.06711	5.6
367.08270	0.8
381.06219	0.7
383.07715	29.0
395.07782	4.6
413.08749	5.4
425.08481	1.6
455.10089	0.6
473.04465	1.1
473.10886	12.6
503.12189	3.8
593.15094	100.0
594.15234	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	593.1516
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
59.01376	2.4
61.76155	2.0
69.26604	9.1
71.01405	2.8
89.02489	3.0
92.76019	1.6
93.03439	2.1
97.30663	1.8
101.02461	2.0
111.76836	1.6
117.03475	5.3
135.04495	2.0
147.04526	1.9
149.02458	2.5
149.04533	2.1
161.02496	4.0
163.04024	2.2
175.04042	3.1
177.01886	4.4
177.05595	1.8
189.01932	2.6
203.03400	1.9
207.03029	3.1
233.04599	2.0
267.06757	2.5
282.05557	2.3
283.06125	6.8
295.06064	14.3
296.06970	4.3
297.07666	21.5
307.06140	6.2
311.05661	14.6
323.05609	12.1
324.06287	3.2
325.07184	8.6
328.05838	2.6
335.05508	3.4
337.07245	3.5
339.05042	4.7
346.50363	2.7
351.05103	15.7
353.06665	52.3
363.05023	2.3
365.06494	4.3
369.06067	15.8
381.06467	3.7
383.07712	15.3
409.09103	3.0
413.08914	2.3
419.07712	2.2
437.08963	2.6
455.09918	6.5
461.37094	1.8
471.09369	3.8
472.09875	2.6
473.10828	13.0
489.10321	5.3
557.12994	4.8
575.14044	100.0
576.14349	3.6
593.05493	2.6
593.15112	51.7
594.15424	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33062	0.9
70.56612	1.5
73.13042	0.8
84.82864	0.9
96.95982	1.0
98.22620	0.9
100.76421	0.9
105.45166	0.8
110.88239	0.8
117.03461	3.2
119.04989	1.0
135.04529	1.5
137.17123	1.1
150.87801	1.0
161.02449	2.1
163.03984	1.2
175.03928	1.1
191.03589	1.2
203.03520	1.1
233.04518	1.4
282.05371	1.9
283.06189	1.6
295.06064	3.1
296.06873	2.2
297.07678	15.8
307.05890	1.8
309.07660	1.5
311.05716	2.6
323.05521	2.8
325.07227	6.3
328.05661	1.3
335.05518	1.3
337.07162	2.8
353.06631	30.5
355.08084	1.4
365.06641	3.7
381.05920	1.1
383.07648	21.4
395.07697	2.6
413.08719	3.0
425.08725	1.2
455.09982	1.0
473.10873	10.5
503.11865	2.3
590.61719	1.1
593.15106	100.0
594.15179	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	593.1515
Annotation	Multiflorin B
Peak:m/z	Relative Intensity
56.90275	1.1
57.03451	13.3
59.01374	13.5
60.01694	1.7
61.73870	1.3
61.90089	1.2
61.98829	26.1
63.02390	1.5
65.00317	6.8
71.01380	6.2
73.02937	3.5
75.00867	1.6
78.95911	2.5
83.01379	4.8
85.02943	2.7
89.02451	3.3
96.95971	1.5
98.02464	1.5
99.04545	9.0
100.04838	1.6
101.02432	5.9
107.01384	13.1
125.02421	9.7
133.02968	1.7
135.03557	1.9
135.04520	51.2
149.02438	2.4
151.00371	100.0
152.00745	2.4
161.02434	2.2
161.04579	1.4
163.04135	1.6
169.01447	1.5
175.00320	2.7
190.02708	7.3
205.05060	7.4
209.06026	5.7
223.06065	1.8
282.05392	1.8
285.04016	19.2
286.04376	15.5
287.05597	68.5
287.18594	1.5
293.30618	1.7
311.05591	3.3
323.05405	2.0
325.06863	1.5
353.06491	4.9
369.06317	1.8
371.11115	1.4
383.07672	1.9
431.09274	2.0
448.10040	1.5
449.10822	40.3
473.10629	1.6
489.10016	2.0
491.11829	13.5
530.23254	2.7
531.14526	3.6
557.26038	1.8
575.13965	10.8
593.15021	17.8
593.26135	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	593.1511
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01369	1.0
70.14619	1.1
73.60397	0.5
76.01757	0.5
83.01355	0.6
93.03453	1.6
114.73263	0.5
117.03459	3.9
119.01363	0.5
119.04997	0.8
121.33282	0.5
125.02431	1.5
133.02931	0.7
134.20381	0.4
135.04515	1.7
147.00853	1.8
147.04512	1.0
148.01646	0.6
149.02400	1.3
149.06004	0.6
159.04535	0.9
161.02440	2.3
163.03969	1.4
175.00383	0.6
175.03979	1.1
177.01891	1.1
177.05560	1.4
179.03508	0.6
185.06017	0.5
187.03932	0.6
189.05624	0.5
191.03511	1.3
199.03976	0.7
203.03392	1.3
205.05106	0.8
208.61107	0.5
211.03886	0.8
215.03546	0.7
221.04657	0.5
227.03551	0.8
233.04498	1.0
239.07048	0.7
240.04106	0.6
253.10896	0.9
255.02972	1.8
256.03906	1.0
267.06604	0.8
268.07556	0.7
279.06387	0.8
281.04471	0.8
282.05292	1.9
283.02454	1.5
283.06110	3.6
284.03296	12.6
285.04071	7.3
295.06152	4.1
296.06952	3.4
297.04343	0.9
297.07660	15.8
307.06006	1.2
309.07535	2.4
311.05609	3.1
323.05643	2.8
324.06247	1.3
325.07184	7.6
328.05777	1.6
335.05615	1.1
337.07111	3.1
341.06375	0.9
351.05005	0.8
353.06653	37.8
354.06955	0.7
355.08218	1.3
356.05521	0.9
365.06732	4.8
367.08209	0.9
383.07739	27.0
395.07892	4.4
397.09180	1.0
413.08691	3.9
425.08737	1.5
473.10883	10.1
503.11862	2.8
593.15106	100.0
594.15466	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	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38119	0.2
57.03444	1.1
59.01379	8.5
61.98830	3.0
62.32401	0.2
63.51374	0.3
65.00321	0.5
68.81797	0.3
68.99367	0.2
71.01376	4.5
71.44977	0.4
73.02957	0.6
82.95428	0.5
83.01379	0.4
85.02946	1.3
89.02442	2.6
91.01895	1.2
93.03453	1.6
97.02968	0.3
99.04534	1.6
101.02440	1.9
107.05043	0.5
113.02435	1.3
117.03494	0.5
117.08379	0.3
119.01393	3.8
119.03514	0.8
119.05034	0.4
121.02978	1.9
125.02416	0.8
134.03743	1.2
135.04506	1.9
147.00876	5.4
147.04555	0.5
149.01245	0.5
149.02440	9.5
150.03178	1.1
151.03993	0.5
152.01114	0.5
161.02394	0.7
161.04504	0.3
162.03259	0.7
163.04048	2.6
164.04794	9.7
165.01901	1.4
165.05478	0.6
166.02652	0.3
175.00362	25.8
176.00961	1.2
177.01913	1.4
177.05508	0.6
179.07166	1.9
189.01941	0.9
190.02711	69.5
191.03371	3.5
192.04294	0.9
193.01413	0.5
194.02254	0.5
205.05046	61.3
206.05736	3.3
207.02997	0.8
207.06601	0.9
208.03783	1.3
209.04572	2.3
221.08202	3.4
223.06094	11.2
237.07698	0.7
243.12312	0.9
247.06001	0.4
250.04861	0.7
251.05551	0.8
253.07234	0.4
265.07162	8.8
283.06094	0.6
295.08392	2.7
297.07724	0.6
311.05215	0.6
323.05554	0.6
325.09348	3.5
353.06552	1.1
369.05884	0.4
383.07727	0.6
385.11362	0.6
517.19995	0.4
519.21942	0.3
531.24249	0.7
563.21411	1.1
575.14111	3.7
576.14154	0.5
578.23859	0.6
593.25977	100.0
594.26379	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
57.98272	0.4
59.01376	17.7
61.98832	10.7
63.27616	0.5
65.00318	0.5
66.20731	0.4
71.01382	3.6
73.02933	0.6
75.00860	0.9
77.46727	0.5
78.91882	0.6
80.18745	0.5
83.01390	0.5
85.02972	1.1
87.00872	0.7
89.02443	2.0
91.01906	1.0
93.03459	1.5
94.56960	0.5
96.95987	0.4
99.04537	0.8
101.02464	2.0
103.00372	1.3
103.01492	7.2
105.03421	0.5
108.24889	0.5
113.02457	1.5
117.03504	0.6
119.01395	3.7
119.04991	0.8
121.02965	2.3
127.44247	0.5
134.03716	1.2
135.04497	1.8
140.17314	0.5
147.00903	4.1
149.02440	7.5
150.03201	0.8
152.01144	0.8
161.04677	0.6
163.04005	3.1
164.04816	6.7
165.01900	0.8
165.05560	0.6
175.00362	27.1
179.07185	0.9
189.01964	0.7
189.12943	0.7
190.02718	66.3
190.40186	0.5
191.03183	2.3
193.01416	0.5
194.02328	0.5
195.37105	0.5
205.05048	64.4
206.05493	1.1
207.02948	0.7
208.03825	0.6
209.04539	2.1
221.08241	0.7
223.06123	6.8
255.03041	0.5
265.07129	1.7
283.06357	0.6
284.03351	0.8
285.03992	1.5
297.07471	0.6
300.06042	0.5
300.50247	0.5
311.05511	0.8
336.49063	0.5
353.06689	1.4
369.05841	0.7
383.07690	0.7
399.07123	0.6
427.67343	0.5
431.09888	0.5
445.94382	0.5
533.25928	0.9
563.21088	0.8
575.14001	2.1
578.23566	1.3
593.25989	100.0
594.26196	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
63.55176	0.5
75.00877	1.6
77.03212	0.5
78.95904	65.6
96.96960	13.2
150.97960	0.9
152.99588	96.5
171.00624	2.4
223.00110	9.0
241.01201	25.0
247.04659	0.7
259.02240	1.5
277.21719	48.2
278.21988	1.8
315.04861	17.0
330.55667	0.6
333.05875	1.1
336.16479	0.5
343.80862	0.6
593.27319	100.0
594.27148	5.4
607.42621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31437	1.1
55.45152	1.0
57.03447	22.0
59.01376	20.1
60.08507	1.1
61.90009	1.1
61.98832	11.0
65.75005	1.3
69.31606	3.7
69.32024	2.6
70.98063	1.1
71.01382	10.4
72.99275	1.1
73.02949	3.0
78.95890	2.3
83.01400	1.1
85.02953	3.7
87.00874	3.3
89.02464	2.9
96.95974	1.1
97.06639	1.3
99.04501	3.3
101.02451	11.7
111.52899	1.1
113.02454	4.2
119.03536	1.5
125.02415	2.9
125.09705	3.5
152.99565	2.3
161.04604	1.2
175.00418	2.0
177.64462	1.2
180.74966	1.3
187.09721	2.1
190.02740	4.6
194.74060	1.2
205.05045	3.2
216.23663	1.0
239.20279	1.3
269.04453	1.8
269.21133	2.9
287.22250	36.5
311.05502	1.2
353.06863	1.4
386.02188	1.2
431.26825	8.4
449.27560	100.0
450.27872	4.6
491.21353	1.8
491.28589	38.8
492.29074	2.0
531.31927	9.6
575.13959	2.3
593.14880	4.3
593.24615	1.3
593.32947	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	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32594	3.7
59.01380	100.0
60.65282	3.5
62.02286	3.8
64.99892	3.9
69.21050	3.3
89.65903	3.5
96.99294	8.7
98.21887	9.8
102.06482	3.8
141.01698	90.1
151.46130	4.6
158.56335	4.6
172.44495	3.7
451.33014	6.2
584.31152	4.2
621.22998	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	593.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01371	1.2
59.94301	1.3
61.98834	1.9
69.92850	4.4
75.00887	1.3
78.95905	12.5
80.68289	1.3
96.31963	1.3
96.96014	11.6
98.21925	1.9
111.08173	1.9
152.99576	5.2
165.12834	22.8
167.14485	1.5
181.12366	2.3
183.13892	100.0
184.14246	2.6
192.98874	2.0
195.13849	2.0
209.11745	7.1
221.15184	1.5
227.03307	1.5
227.12842	18.1
247.20656	2.0
253.21672	1.8
267.02521	6.7
273.18768	2.4
280.23785	1.9
291.19644	21.8
301.16519	11.0
309.20709	49.2
310.21124	4.2
365.23303	2.9
383.24298	1.8
480.30627	2.1
481.25607	2.7
543.00745	1.5
549.37964	5.4
593.36908	39.4
594.37262	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	594.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15697	1.9
57.03448	2.0
58.02974	4.9
61.90664	1.7
71.43188	1.8
74.02465	7.9
86.02461	5.4
86.82879	1.7
87.05647	3.3
91.07933	1.9
99.05632	9.5
125.02437	28.0
128.03531	33.6
137.02437	5.0
141.00143	10.7
141.06683	1.8
143.04630	44.8
146.04594	2.5
149.02435	4.9
161.02437	8.1
164.01166	3.3
165.01915	5.1
166.09816	2.2
169.92349	1.9
179.04674	7.5
181.06226	2.4
183.01193	11.1
201.05551	3.7
210.08861	9.4
219.70317	1.7
225.05843	1.8
243.06703	2.1
254.07864	11.4
269.04388	2.5
272.08853	100.0
277.05255	3.5
321.04361	42.9
403.31735	1.8
456.10724	8.2
545.93176	1.9
594.14276	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35350	1.9
57.03452	43.8
58.59805	1.9
59.01381	68.1
61.98830	100.0
69.14536	11.7
71.01390	15.4
73.02940	3.8
79.45956	1.9
83.01350	3.1
85.02967	4.9
86.03032	1.8
89.02433	8.7
95.01405	2.0
98.21869	4.6
99.04521	68.0
101.02448	22.5
113.02446	10.6
117.03469	3.9
119.03502	4.8
125.02443	29.8
143.03532	2.5
161.04562	4.8
208.03154	2.2
225.15088	2.8
241.35350	2.1
275.18246	2.3
283.05978	5.7
284.06381	6.4
296.06537	4.2
297.07382	7.7
298.07971	7.0
311.05499	3.1
312.05844	6.4
323.05533	2.8
324.05865	4.6
326.07681	2.9
338.07410	2.5
342.06711	3.1
352.05557	4.9
353.06546	8.4
354.06906	13.7
366.06674	3.0
369.06033	4.4
369.19135	10.4
370.06537	14.8
383.07755	2.4
384.07990	8.0
387.20181	16.9
399.07397	2.9
400.07529	4.2
429.21216	24.5
469.24194	4.9
470.38431	2.2
474.11188	7.2
487.25357	5.6
489.10416	3.7
490.10825	19.1
531.24512	66.3
532.25043	3.4
576.14423	91.2
577.14807	5.2
594.14935	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	595.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.3
59.01619	2.0
71.01369	5.9
74.06064	1.7
79.08340	1.8
89.02437	6.6
99.66136	1.6
101.02431	4.7
108.05830	2.0
113.02398	2.4
113.06036	2.1
117.03483	3.3
122.03728	2.5
125.02438	2.8
125.06059	2.7
133.02963	20.6
135.04527	11.8
138.06842	6.4
139.07611	7.1
149.02457	1.8
149.06177	2.0
151.07629	10.6
152.08521	2.1
153.09236	12.8
161.02448	100.0
175.04034	2.2
177.01938	2.3
179.03506	27.7
179.05217	2.2
191.10768	11.7
203.03592	3.9
203.16319	1.9
226.04500	1.6
253.10814	27.0
281.06937	1.9
285.03741	3.5
286.03870	3.9
287.04410	2.0
296.06607	3.5
297.07535	4.2
298.07889	3.4
299.08365	2.8
325.06891	2.8
326.07401	2.1
341.08798	73.3
342.09155	1.8
349.06091	1.7
353.06750	6.0
354.07068	5.9
355.07333	6.8
363.08014	2.1
367.07098	1.7
371.07822	2.8
383.07693	3.3
384.08075	3.1
385.08224	6.3
393.26492	1.7
397.05276	1.9
401.08569	1.8
469.63672	1.8
475.10992	6.4
487.08456	2.0
577.12408	5.1
595.15424	72.8
596.15137	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	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12885	0.6
54.61024	0.5
59.01366	0.6
61.98819	5.3
71.28318	0.7
71.28678	0.7
78.95903	59.8
96.96962	13.9
119.94702	7.0
129.23596	0.6
143.22636	0.6
150.97899	0.7
152.99585	52.0
153.99846	1.0
166.06064	0.7
183.55621	0.6
196.03777	1.0
223.00130	2.3
225.49921	0.7
235.39067	0.6
241.01170	28.4
255.23277	1.5
256.23642	1.0
279.23279	57.8
280.23651	2.1
315.04852	8.3
415.22491	4.9
453.28577	0.8
595.28827	100.0
596.29230	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.67159	0.6
65.45472	0.6
70.07845	0.7
70.90730	0.8
76.03907	0.7
77.67585	0.6
78.07343	0.6
78.95902	66.8
87.05393	0.6
96.96009	2.3
96.96963	12.4
104.28310	0.7
145.88010	0.6
150.98056	2.2
152.01784	0.8
152.99591	90.2
160.27115	0.6
171.00665	2.7
199.61765	0.8
223.00117	9.4
240.51694	0.7
241.01196	26.6
259.02307	1.5
272.89883	0.7
279.23291	64.0
280.23749	1.9
315.04861	15.6
332.12283	0.7
333.05896	0.8
595.28876	100.0
596.29303	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92377	2.8
71.55313	2.1
75.00881	4.0
78.95901	82.2
80.91682	18.2
96.96009	10.0
96.96948	11.3
99.80891	2.2
142.96495	2.2
144.46326	2.5
150.98106	2.6
152.99583	94.1
171.00635	2.9
179.76213	2.4
223.00085	10.4
241.01176	31.4
245.73956	2.6
277.21756	5.7
279.23291	69.3
280.23584	3.3
315.04901	15.5
333.05923	2.2
478.01669	3.4
595.28882	100.0
596.29358	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	595.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75690	28.0
78.91441	28.5
88.64843	30.9
103.61243	28.3
134.45728	30.5
182.68820	36.5
251.13104	37.8
251.27995	31.8
265.73685	29.9
287.54654	29.2
329.23575	50.2
390.26395	100.0
472.93909	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01369	3.4
69.87353	4.1
71.01376	4.6
81.03458	16.9
83.01383	13.3
85.02956	3.4
90.92650	1.5
93.03458	3.2
95.01383	4.9
95.05048	8.3
97.02968	11.2
98.21858	2.0
99.04492	8.0
101.02468	2.1
105.03429	2.6
107.05019	3.0
109.02965	10.5
111.04505	4.5
113.02466	3.3
119.05025	2.0
121.02951	6.4
121.06575	2.0
123.04523	30.2
125.02440	43.6
125.06100	1.9
133.02963	29.4
135.04520	4.6
137.02451	12.5
137.06033	4.2
138.03188	2.0
139.04019	6.9
149.02443	3.3
149.06146	2.2
150.03282	1.5
151.04004	6.4
153.05530	5.5
155.03528	2.7
161.02438	2.0
163.03972	5.0
165.01878	4.0
165.05516	7.7
167.03490	59.9
168.03764	2.0
169.93356	1.5
175.04034	2.3
176.89603	1.4
177.01930	10.8
177.05563	2.5
179.03513	18.3
181.05080	4.0
191.03461	5.8
193.01277	2.0
193.05054	2.8
195.03018	1.5
195.06689	2.3
197.04514	17.8
206.02240	2.9
207.02951	2.3
207.06619	1.8
209.04538	100.0
210.04739	2.1
211.23514	1.5
219.03015	2.1
220.03670	1.6
221.04533	5.3
235.02393	5.1
239.05602	97.3
251.05632	6.8
265.03436	2.6
269.06659	36.1
277.03555	15.4
281.06665	11.3
289.03522	2.1
299.07794	16.2
307.04568	12.2
311.07718	9.2
329.08719	18.3
337.05530	3.4
341.08627	6.6
349.05682	2.6
367.06622	4.5
379.06879	1.5
387.07199	59.2
388.07516	3.9
397.07736	4.3
399.07086	2.3
401.10886	3.6
417.02649	2.1
417.08267	34.4
419.11902	14.1
429.08304	1.7
447.09467	8.8
459.09244	6.4
477.10443	27.4
478.10614	2.1
487.11026	1.8
489.10239	5.0
494.30249	1.6
507.11423	19.3
579.13300	2.3
597.14435	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	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07416	2.0
51.36772	1.7
59.01380	58.8
61.98825	8.8
85.64179	1.8
111.95781	1.7
121.02951	3.2
122.03732	5.2
146.03697	8.0
149.02441	31.4
150.03218	41.7
150.04347	3.5
164.04784	19.4
165.05571	56.7
179.07126	21.9
180.04291	3.7
191.79506	1.9
195.06607	68.8
196.07024	2.9
250.95976	1.9
303.08762	2.7
312.10022	19.9
327.12347	100.0
328.12811	3.9
375.14456	34.4
511.30920	2.3
518.10345	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	597.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11285	1.5
57.03448	74.9
58.03796	1.3
59.01379	71.0
61.84537	1.6
61.98831	18.0
69.05904	1.8
71.01380	24.3
73.02950	10.0
81.03442	3.2
82.14940	1.5
83.01377	4.8
85.02952	6.5
87.00879	3.5
88.98807	3.9
89.02444	21.9
98.22631	3.0
99.00903	1.5
99.04521	39.5
101.02439	39.1
113.02430	14.3
119.03503	7.1
123.04510	3.7
124.63792	1.5
125.02448	14.7
125.06099	2.3
131.03442	2.0
136.05270	1.9
141.05563	1.7
143.03510	2.8
151.07637	5.9
152.08394	7.2
161.04517	4.3
164.08455	2.3
177.11441	1.9
179.05577	5.0
203.10809	2.3
217.12340	2.5
255.17387	1.7
273.18701	3.1
282.38147	1.9
291.19501	4.9
315.77371	1.7
347.07831	1.9
390.30771	1.6
435.18460	2.8
435.23822	27.3
453.24942	100.0
454.25012	5.0
456.38568	1.6
495.26013	32.3
496.26389	2.8
535.29114	6.3
597.29138	35.1
598.29999	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	597.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
58.07451	0.9
58.92654	1.1
59.01382	9.4
60.21659	0.9
61.98830	16.9
69.48657	3.8
71.01374	5.1
73.02950	2.4
75.00867	1.7
85.02951	2.1
89.02454	3.2
89.04687	1.0
96.95973	1.2
99.04527	2.3
100.04814	1.2
101.02459	4.6
105.58649	0.9
108.02159	11.0
113.02438	2.3
119.03529	2.0
121.02934	6.2
125.02424	2.3
128.03525	1.1
129.01895	1.1
133.01248	0.9
135.04507	1.1
137.09702	1.3
148.77267	0.9
161.04567	1.0
179.03368	1.1
191.10902	1.0
199.13387	4.5
209.04599	1.1
235.13475	3.0
239.12755	1.1
273.18814	1.2
369.06235	2.5
373.03259	3.1
376.24738	1.2
390.26624	1.3
391.04462	5.4
391.27203	5.3
392.28058	100.0
393.28259	5.3
397.13538	1.7
420.09360	1.0
423.97055	1.2
435.22406	5.9
534.25214	2.2
537.33008	1.7
545.15588	1.1
554.32794	1.1
579.15631	1.9
597.35187	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	597.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
61.98826	4.1
64.65317	2.4
69.08306	17.5
71.01380	3.9
72.99315	4.0
75.00870	51.4
80.67822	2.5
89.02445	4.8
93.59253	2.6
108.02176	9.2
121.02968	4.9
153.21312	2.4
161.38498	2.5
232.80511	2.5
235.13324	3.9
237.87935	3.3
341.53076	2.5
358.27618	2.6
392.28064	100.0
393.28391	3.6
551.51227	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	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67897	0.3
54.65307	0.3
57.78598	0.3
58.02968	0.4
58.70542	0.3
59.01366	1.3
61.98825	2.8
69.09549	1.5
69.09967	0.8
71.01383	1.0
75.00872	0.5
75.74619	0.3
81.03457	10.5
82.06611	0.4
83.05025	36.1
85.02992	0.4
89.02444	0.6
93.95092	0.3
96.96004	0.8
98.21868	0.7
100.07685	4.9
101.02464	0.5
102.11297	0.4
106.64687	0.4
126.05602	1.0
127.04054	0.4
128.03522	0.4
133.38481	0.3
144.19736	0.4
144.40266	0.4
182.15483	0.7
199.13423	1.1
199.18120	7.1
209.59758	0.3
224.17737	0.6
225.16072	7.7
233.84460	0.3
243.17128	18.6
269.15070	0.8
309.21872	1.0
353.20807	7.6
392.27994	1.4
393.28485	0.4
433.31738	0.5
451.32877	2.3
469.33954	14.0
470.34586	0.4
553.39655	0.9
579.37598	3.8
597.38696	100.0
598.39117	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	8.5
61.98829	18.3
70.86192	2.2
74.02471	15.4
82.02979	2.3
84.04525	2.0
86.02473	5.9
86.99071	1.3
87.05633	3.7
95.43958	1.0
99.05643	13.1
101.07195	2.1
109.04114	1.8
112.04076	1.6
116.01788	1.3
123.05674	1.4
125.03509	1.5
127.05159	2.8
128.03535	39.3
135.05629	4.5
137.07225	1.3
141.06688	3.6
143.04620	47.8
145.06166	2.6
146.04581	3.9
153.06696	2.6
160.00726	16.3
166.09796	2.6
167.04611	4.7
167.08243	2.3
177.03371	5.1
179.04636	10.6
181.06258	1.7
185.05710	2.2
210.08850	9.7
254.07808	18.0
272.08859	28.8
288.06625	10.0
306.07639	100.0
307.07910	2.5
321.17969	1.2
382.68756	1.4
515.78723	1.2
598.27869	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	598.28
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58002	3.4
55.87516	3.4
58.02974	15.6
61.98828	9.2
65.61076	3.3
69.14272	6.4
69.14677	10.8
74.02470	24.7
78.89169	2.6
82.02972	5.2
86.02469	9.5
86.06079	3.5
87.05619	4.2
96.04550	2.9
97.04050	4.5
98.21857	6.4
99.05659	22.3
101.07241	3.4
102.05578	6.2
109.04099	5.1
109.07557	3.1
115.58240	3.3
127.05204	3.7
127.87078	3.2
128.03545	69.8
133.28232	2.7
135.05659	6.5
141.06667	4.4
143.04622	87.6
146.04582	8.6
153.06721	2.9
166.09891	3.4
167.08257	6.1
171.04202	3.1
179.04590	15.1
181.06259	3.2
197.05603	3.6
200.30170	2.7
210.08784	16.2
254.07806	44.4
272.08890	100.0
325.18289	7.5
456.32928	2.9
469.24042	4.0
560.14545	7.3
561.39728	2.9
562.14685	8.0
580.26862	5.5
593.58661	3.1
598.28070	43.4
599.28125	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	598.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.89566	0.2
59.01377	3.1
61.98828	100.0
62.95909	0.3
63.53680	0.2
64.54964	0.2
71.01392	0.7
73.02945	0.5
82.95440	0.3
87.04520	0.6
89.02442	0.6
96.96037	0.5
99.04553	1.0
101.02447	0.8
103.01512	0.5
113.02508	0.3
125.02470	0.4
129.72295	0.2
132.83899	0.3
135.04460	0.3
245.66454	0.3
327.87833	0.2
351.45016	0.3
376.28555	0.4
379.66928	0.3
399.20059	0.3
400.20755	0.4
598.28241	0.5
599.12689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50131	0.2
57.03440	1.1
59.01380	4.0
61.98828	100.0
67.05421	0.3
69.16772	1.1
69.17175	0.6
71.01378	0.6
73.02965	0.2
78.14214	0.2
82.01383	0.3
82.41531	0.3
82.95377	0.3
84.36890	0.2
85.02979	0.3
87.04521	1.2
89.02452	0.7
96.96035	0.8
98.21872	0.5
99.04524	0.7
101.02453	1.0
103.01501	1.1
113.02454	0.4
124.70036	0.3
125.02454	0.7
135.04506	0.3
161.04530	0.3
195.68678	0.3
196.31029	0.3
253.85501	0.3
304.30624	0.3
376.28867	0.3
392.72427	0.3
415.69284	0.3
419.91202	0.3
498.48703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01789	1.2
52.37583	1.3
58.67916	1.3
59.01375	100.0
65.62714	1.1
69.78581	4.9
78.95900	2.9
96.96017	1.6
98.22516	2.4
102.95673	4.3
103.01492	88.7
115.94682	1.2
137.12050	1.2
143.43161	1.2
152.90053	1.2
152.99478	1.9
339.09497	1.2
382.57224	1.4
401.33679	1.2
584.14124	1.3
586.43719	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	598.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63322	0.4
55.01882	0.9
55.99818	0.4
57.03447	2.4
59.01380	100.0
60.01731	0.5
61.98829	8.4
70.48769	0.7
71.01383	13.5
73.02951	5.1
75.00883	0.5
82.95403	3.0
83.01401	2.0
85.02956	7.2
87.00845	0.5
89.02418	2.1
90.42400	0.5
95.01387	1.3
97.03000	0.6
99.00871	2.2
99.04545	1.5
99.92592	0.8
101.02448	10.1
113.02461	7.1
113.78761	0.5
125.02451	1.4
129.59312	0.4
141.93683	0.4
143.03531	1.0
159.02986	3.0
161.04553	16.3
169.38118	0.4
190.66379	0.4
192.19724	0.5
203.06082	0.4
239.12971	0.5
376.28372	0.7
418.31412	0.5
436.19910	0.9
451.97101	0.6
538.33844	22.3
539.34796	1.7
555.23474	0.9
585.60535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01376	30.7
61.98827	21.0
69.82479	0.9
69.82832	2.7
71.01366	2.7
73.02925	1.7
85.02967	0.9
89.02466	1.3
96.96025	2.1
98.21945	0.9
99.04530	2.3
101.02425	2.2
103.31783	0.8
105.01892	0.9
106.04241	1.7
113.02455	1.1
117.40142	0.9
127.05157	0.8
130.08734	1.1
139.64468	0.8
161.04506	1.2
179.06987	1.2
196.62900	0.8
197.09546	0.9
219.13831	7.9
251.23656	0.8
253.09370	1.8
257.19073	3.2
262.18649	0.9
273.18561	1.1
275.20209	1.6
323.04871	0.8
327.21652	2.2
376.28549	100.0
377.28769	5.5
401.25345	1.8
460.12451	0.9
599.28229	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	599.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01379	3.4
61.98824	3.8
71.01387	1.8
71.01854	0.7
79.95737	8.2
83.05015	0.5
88.04040	0.8
88.98793	1.6
89.02464	1.8
89.20663	0.3
96.00924	0.4
96.96009	100.0
99.00864	0.4
99.04530	0.4
101.02454	1.0
105.01971	0.3
108.02145	0.7
109.02927	0.8
113.02434	0.8
114.05546	0.5
119.03500	0.5
120.99619	0.5
121.02982	0.3
128.03590	0.7
129.10356	0.6
130.08723	0.9
133.73714	0.4
137.02444	1.0
145.91162	0.3
146.03720	0.5
147.04524	2.6
151.03993	0.4
175.03944	0.4
180.55081	0.3
206.56378	0.3
229.01443	1.0
237.05583	0.4
242.37096	0.3
253.05035	0.5
268.33328	0.4
280.03741	0.4
281.04532	3.1
294.09100	0.3
296.06882	2.4
297.07654	1.4
309.03967	0.8
311.09213	1.8
313.10831	0.7
315.13455	0.4
324.06198	0.5
339.08737	0.5
354.20035	0.6
357.09775	1.8
357.13916	0.5
377.25580	0.4
383.07709	12.6
384.08066	0.6
417.16214	0.4
421.09607	3.7
477.19006	0.7
518.89124	0.4
581.33392	0.4
598.41394	0.6
599.14362	44.7
599.35168	2.1
600.14642	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01589	1.1
59.01378	7.8
59.55430	1.1
61.98811	2.9
69.50895	2.9
69.51251	2.5
71.01376	4.0
82.06621	3.8
89.02449	3.9
96.95980	1.1
98.22637	2.3
98.88638	1.2
100.06082	1.2
101.02449	1.9
105.39726	1.1
113.02451	2.0
113.07178	1.3
125.02513	1.4
128.03557	1.8
129.10315	3.2
130.08736	30.7
132.02119	6.9
134.03737	7.0
149.06079	1.7
160.01646	46.2
161.01967	1.2
175.03990	89.2
176.04358	2.7
181.04968	1.2
181.96785	1.1
190.10088	1.1
191.07170	1.3
193.03488	1.8
193.05070	18.5
199.18161	19.9
201.11348	3.1
207.06561	1.2
217.05048	7.5
235.06020	3.1
241.11879	1.7
243.17116	100.0
244.17401	3.5
273.37357	1.2
295.08057	1.6
343.07874	1.5
355.10300	38.8
356.10364	1.6
399.83533	1.4
437.14545	1.3
535.95862	1.3
547.87347	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	599.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	93.4
59.01379	100.0
60.01720	1.0
61.98829	29.9
64.55308	1.0
68.38953	1.0
69.61077	1.9
69.61485	3.2
71.01380	21.6
73.02947	11.4
78.95930	0.9
81.03482	2.0
82.95400	2.1
83.01396	4.7
85.02966	5.5
89.02444	16.5
95.01376	1.3
96.96014	1.8
99.04520	85.7
100.04879	1.5
101.02447	37.5
113.02450	9.2
116.92833	1.2
119.03492	7.8
123.04541	1.4
125.02451	28.0
125.67492	1.0
131.03529	1.5
143.03520	3.7
149.02420	1.6
149.04573	2.1
150.03223	4.1
160.01636	2.1
161.04581	4.4
164.04886	1.2
165.05580	2.9
175.00385	1.2
175.04042	2.0
179.05678	6.3
190.02727	3.9
193.04964	1.1
205.05069	4.5
247.20737	1.0
253.09132	1.7
313.10861	1.2
327.21579	2.2
348.20157	1.1
376.28546	6.1
377.28848	10.4
381.22736	4.1
437.25385	3.6
455.26563	10.1
497.27744	2.9
563.21381	3.4
563.30084	1.5
599.21381	4.7
599.30670	18.6
611.53967	1.1
627.11597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31543	0.3
57.42290	0.3
61.60434	0.3
61.98828	100.0
69.35603	0.7
69.35986	0.6
75.17683	0.3
83.91352	0.3
98.22633	0.6
150.03319	0.3
220.37093	0.3
251.54921	0.3
465.20148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49754	1.2
57.03449	37.8
59.01379	31.9
60.01696	1.8
61.98830	100.0
69.79234	2.8
69.79629	2.3
71.01380	6.6
73.02941	3.6
82.95422	2.0
83.01405	1.4
85.02950	1.9
86.05754	1.2
89.02448	3.4
98.21970	1.9
99.04520	38.9
100.04866	3.2
101.02432	14.3
101.46114	1.2
102.02766	2.3
103.04008	63.0
113.02462	2.7
119.03488	1.8
125.02444	18.3
143.03470	2.3
161.04593	2.3
170.73734	1.3
219.46828	1.3
260.64322	1.4
262.14648	1.6
329.86554	1.3
435.21725	1.6
514.70386	1.5
529.54950	1.6
537.25500	19.7
550.66809	1.4
564.21814	2.2
600.30670	2.9
629.89856	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	600.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	11.4
63.66868	2.3
70.29600	2.4
70.82355	3.0
74.02480	26.0
81.04591	2.2
82.02978	2.5
86.02470	7.0
87.05648	4.7
97.04060	4.0
99.05631	23.5
101.07200	4.0
102.05612	2.9
109.04032	4.5
111.05656	4.9
111.82534	2.4
112.04026	3.7
123.05550	3.0
126.97925	2.7
128.03545	67.9
135.05627	6.9
141.06631	3.0
143.03534	3.9
143.04620	72.8
144.06189	2.8
146.04576	7.9
149.95653	2.5
153.06708	3.6
167.04594	4.4
167.08243	4.8
178.76546	2.3
179.04590	20.3
181.06157	3.7
192.07784	2.8
210.08823	15.7
232.12042	2.4
254.05270	3.8
254.07828	48.3
272.08875	100.0
289.97495	2.5
327.19873	10.4
345.92865	2.4
466.01831	2.6
471.25586	3.8
582.28546	5.9
600.29504	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49907	0.5
57.03436	0.9
57.11660	0.5
58.02976	1.9
58.30465	0.4
59.01373	2.0
61.98830	34.2
70.69665	0.8
71.01389	1.5
73.04060	3.6
73.70295	0.5
74.02497	0.6
80.05071	0.8
81.63494	0.5
82.02979	3.8
82.95386	0.6
84.00919	0.6
87.05640	3.9
96.08189	0.6
97.04093	1.2
98.02446	2.0
99.04522	0.9
99.74283	0.5
100.04061	1.3
109.54932	0.5
110.02470	1.2
112.04055	0.7
115.05133	7.7
125.05930	0.9
125.07200	1.4
126.06736	10.5
127.05165	1.0
128.03542	90.6
129.03891	0.9
129.10338	3.6
130.08734	3.7
132.29672	0.5
136.11337	0.9
137.04820	0.8
140.07176	3.2
141.10323	0.6
142.05109	1.0
144.07799	7.7
153.10306	1.5
155.08284	0.7
155.11967	0.9
160.06091	1.1
165.10309	2.5
167.11888	0.7
168.07782	25.3
169.06178	2.0
169.09842	2.9
169.13458	1.2
180.10310	1.9
181.09833	1.1
182.12999	6.8
183.11392	1.0
186.08833	15.7
197.12949	1.6
200.14026	6.2
201.12602	0.8
207.15161	0.6
208.13460	1.1
212.14003	0.8
238.19127	0.8
239.15182	1.3
241.11894	2.1
252.20825	1.2
254.15137	0.7
257.16238	0.6
273.14395	0.7
281.16187	3.9
299.17148	1.8
309.22702	0.6
337.26114	0.5
351.23880	0.7
385.24408	0.7
386.22876	1.0
395.22858	0.9
457.26660	3.3
556.29846	100.0
557.30316	5.8
582.31470	1.7
600.32495	48.0
601.32880	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	600.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71448	0.1
59.01386	0.3
61.98830	100.0
64.13069	0.1
68.41207	0.1
69.59641	0.1
69.60953	0.1
69.61344	0.2
71.01394	0.1
99.04487	0.1
99.09336	0.1
128.03539	0.2
193.58426	0.1
251.27222	0.1
375.27567	0.2
381.33929	0.1
556.30121	0.1
600.32739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89344	0.4
61.98832	100.0
64.36092	0.5
69.14527	3.5
96.82234	0.4
112.92597	0.5
140.75130	0.5
165.79562	0.4
228.87550	0.5
269.30499	0.5
518.99542	0.6
584.52600	0.5
601.20404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
61.98821	1.0
63.54935	0.3
70.22504	0.3
71.01358	0.5
72.14288	0.3
79.95734	33.2
80.96511	0.9
82.02972	0.4
89.02451	0.4
95.94614	0.3
95.95236	10.8
96.96008	100.0
109.85680	0.3
109.96754	0.4
110.97570	4.9
117.27596	0.3
120.99643	0.6
121.02975	0.4
123.76492	0.4
125.49117	0.4
127.05121	0.9
128.03539	1.5
129.10323	0.7
130.08708	0.3
136.01686	0.5
137.02454	0.4
141.95793	0.7
147.04451	0.3
149.99988	1.7
151.04012	1.1
173.06102	0.4
179.11862	0.4
183.11406	0.3
191.07059	0.5
254.99637	0.4
259.02792	0.8
271.02621	0.5
277.15585	0.4
371.15045	0.5
391.02081	0.8
403.15860	0.5
405.07217	0.4
409.02234	0.7
409.09573	1.9
421.08273	0.6
423.07413	2.6
424.08337	0.8
437.09140	2.7
438.09903	2.2
439.10709	9.5
440.10971	0.4
600.32965	1.0
601.15955	82.3
602.16302	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	601.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08833	0.3
59.01375	0.8
61.98822	0.5
71.01391	0.3
73.02949	0.3
78.95901	5.0
79.95766	0.3
85.50836	0.2
89.03952	0.4
96.96008	5.2
96.96967	0.3
98.22688	0.6
99.92570	0.4
105.03449	0.7
107.05036	0.2
108.14127	0.3
109.02978	0.2
111.94525	0.2
115.01913	0.3
117.03463	0.3
123.04660	0.2
128.81487	0.2
132.02156	2.3
133.02954	34.8
134.03638	0.5
135.04526	11.3
148.05290	0.2
149.06061	0.6
152.99568	2.5
155.95207	0.6
160.01672	0.4
161.02440	100.0
162.02808	2.0
171.00673	0.8
175.03998	0.7
177.05588	1.0
179.03497	18.6
179.89207	0.5
181.90675	0.3
184.10951	0.2
196.89490	0.6
203.03519	3.5
205.90805	0.3
221.04533	0.9
235.91769	0.3
245.04356	1.4
253.21704	0.6
260.02560	0.2
261.93481	0.3
277.21738	0.6
291.23233	0.4
291.94473	0.4
292.94595	0.3
311.52222	0.3
406.28207	0.2
415.82468	0.3
481.25543	1.7
482.25812	0.3
547.17047	0.5
561.54694	0.3
564.17810	0.7
565.18433	2.0
601.21533	0.5
601.30084	11.4
602.30475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91346	0.3
57.03447	0.9
59.01376	2.1
61.57820	0.4
61.98827	100.0
69.29391	1.1
69.29799	0.7
71.01381	1.0
78.91908	1.4
82.95422	0.6
85.02988	0.5
89.02431	0.5
94.85186	0.3
96.96021	0.8
99.04525	0.7
101.02412	0.7
113.02482	0.4
119.03382	0.3
130.08676	0.4
148.92451	0.4
207.68280	0.3
223.58905	0.4
253.09241	0.6
277.35852	0.5
310.46564	0.4
327.21866	0.8
379.29224	0.4
401.25650	1.0
563.30884	0.5
597.39038	0.4
601.29150	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	603.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27399	2.6
61.64252	3.0
61.98826	100.0
63.93101	2.8
69.14400	9.0
69.14807	8.9
69.28752	2.8
90.16571	2.6
95.30656	2.9
292.38818	2.7
310.78952	3.1
343.51846	3.0
349.79419	3.0
384.89404	3.0
398.23422	2.9
626.53979	3.3
628.57233	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	603.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	72.3
61.98833	15.7
65.99635	3.8
69.56351	4.5
71.01381	37.6
74.78219	3.9
78.91917	5.6
80.91680	100.0
85.02941	5.6
89.02451	54.7
96.96008	17.2
100.79007	4.2
101.02447	21.5
101.93376	3.8
113.02441	12.0
119.03492	26.4
125.39022	5.4
151.04121	5.0
160.05325	9.7
161.04604	5.8
161.06073	11.7
173.06058	6.0
179.05635	27.0
189.05553	9.5
190.06366	5.0
197.56169	4.4
302.03708	4.8
311.12958	6.7
326.11447	4.5
341.13898	17.3
356.71844	4.7
363.12085	7.2
381.12943	7.4
423.14096	13.3
475.06616	5.1
521.20239	21.9
543.18433	86.2
544.19135	7.0
561.18298	6.3
566.88214	5.0
603.19568	9.7
603.39740	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	603.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01377	23.5
61.98830	14.9
67.12843	1.0
70.11501	2.0
70.11862	1.7
71.01379	14.0
73.02954	2.7
75.00875	1.9
79.10452	1.0
83.01411	1.4
83.67000	0.9
85.02948	3.1
87.00903	1.2
89.02441	12.9
95.01421	1.0
99.00858	2.2
99.04514	2.0
101.02438	12.3
113.02443	7.7
119.03501	7.8
128.03537	1.4
143.03517	2.2
143.68896	1.0
155.14462	2.0
161.04605	4.6
179.05630	12.3
199.13416	8.8
218.08090	1.1
225.14909	2.2
263.03040	0.9
333.95435	0.9
346.00693	1.0
387.20197	7.5
405.21277	100.0
406.21497	4.5
603.23798	10.9
603.31793	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	603.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01381	22.7
61.98828	9.8
63.71731	0.5
70.05846	1.6
71.01382	19.1
71.24647	0.6
71.35350	0.6
72.99306	0.6
73.02953	1.3
74.02472	1.1
80.44270	0.6
83.01403	0.8
85.02973	2.6
87.00848	0.6
88.98820	0.7
89.02448	15.0
95.01374	0.8
96.61135	0.5
96.96011	0.8
98.21851	0.6
99.04521	1.6
101.02445	10.4
105.01927	0.9
108.33881	0.6
113.02435	6.2
119.03494	8.7
120.20078	0.5
125.02397	0.7
153.12856	1.3
154.92859	0.5
161.04562	1.7
179.05591	7.2
199.13400	2.1
225.14803	1.5
243.15884	0.7
256.43103	0.7
387.20209	2.2
405.21277	100.0
406.21548	3.5
429.21204	0.7
517.85559	0.7
603.24084	16.2
604.23895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99309	4.8
78.99864	0.6
85.00446	2.0
85.37751	0.8
87.00869	4.3
88.00404	1.8
88.98804	25.9
89.02442	100.0
98.22694	1.5
148.90976	1.0
163.61224	0.7
246.89894	0.7
257.86905	0.8
377.28961	0.7
603.20105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.99305	5.8
69.16613	0.4
85.00437	1.4
87.00876	3.8
88.00405	1.7
88.98804	35.0
89.02441	100.0
96.95962	0.6
97.62770	0.4
110.07008	0.5
128.55276	0.5
196.65622	0.5
229.48698	0.5
277.05576	0.5
277.21912	0.7
395.33600	0.5
457.77698	0.5
463.83987	0.6
579.66516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27749	0.4
59.01356	0.9
69.18499	1.3
69.18901	1.9
78.95897	1.3
91.68620	0.5
96.96017	4.5
98.22651	1.0
105.03478	0.5
117.03467	0.5
132.02151	2.0
133.02951	33.7
135.04536	9.3
152.99608	1.4
161.02437	100.0
162.02762	2.2
175.03957	1.2
177.05573	0.9
179.03487	16.8
180.03749	0.6
191.33435	0.4
198.44400	0.5
203.03445	2.5
204.90015	0.5
221.04626	0.7
255.23340	3.2
308.17599	0.6
345.50540	0.6
359.63452	0.6
478.39496	0.6
478.70493	0.6
483.27145	2.3
521.08215	0.6
603.22461	0.8
603.31641	13.1
603.41046	0.7
604.31964	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50245	0.4
60.99302	5.9
64.05287	0.4
71.01761	0.9
85.00443	0.8
87.00870	2.7
88.00423	1.4
88.01196	0.6
88.98806	32.6
89.02444	100.0
158.81458	0.5
163.41014	0.5
259.80447	0.5
312.92871	0.5
426.65976	0.5
442.44000	0.7
456.53210	0.5
530.16833	0.5
550.83936	0.5
631.08105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03355	0.4
59.01377	0.7
60.44443	0.4
60.99303	3.3
63.50265	0.5
70.05065	0.4
85.00424	0.9
87.00869	3.9
88.00410	0.9
88.98803	20.2
89.02441	100.0
110.90702	0.4
115.82289	0.5
128.71248	0.4
143.44173	0.5
164.36722	0.4
178.88640	0.4
214.81459	0.5
340.88922	0.5
401.61719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16368	0.8
56.85509	1.0
57.42737	0.8
59.01374	2.5
61.98813	2.3
62.48914	0.8
69.87638	3.0
71.01015	1.2
71.01376	17.6
71.02491	3.6
72.00896	2.3
73.04039	1.9
74.02454	2.1
82.02938	1.1
84.04527	1.3
88.03515	1.4
88.04036	17.9
91.05518	1.2
96.00887	1.0
98.22663	1.2
101.11225	0.9
109.04076	1.2
110.06058	1.8
111.01954	3.9
111.13137	1.0
113.07191	2.5
114.01913	1.0
115.00371	16.5
115.08756	4.4
116.07149	1.5
116.92840	3.4
127.05125	9.5
128.03540	41.6
130.08757	1.8
132.02254	0.8
132.03033	11.3
139.05130	2.1
141.06715	6.5
143.11833	2.6
143.46063	0.9
146.06076	1.4
147.04463	3.4
153.06664	1.8
163.08684	2.3
164.07143	13.0
166.08612	1.4
167.11803	2.4
169.13411	3.3
177.10330	1.5
187.10907	0.9
194.12999	5.7
195.11320	2.8
203.08287	5.2
212.14029	45.6
213.10594	1.0
213.12447	10.2
214.12674	0.9
220.10780	2.0
226.12074	1.2
240.17166	1.9
243.16946	1.2
257.19772	1.0
262.15396	1.4
274.11942	1.9
275.10431	6.4
276.91519	0.9
277.12857	2.1
280.16452	1.1
284.16043	4.8
300.13330	1.0
305.15860	1.8
306.07581	2.2
306.14093	1.0
323.17065	2.4
328.15042	3.7
336.32681	1.0
394.05896	1.2
488.25192	32.1
489.23550	25.6
542.25867	1.3
560.27197	4.4
586.25037	7.1
604.25830	100.0
605.26337	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	605.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31746	0.3
57.03445	14.5
59.01378	5.7
59.37117	0.3
61.16294	0.3
61.98829	2.8
63.31266	0.3
65.00330	0.5
70.81487	0.6
71.16011	0.3
73.02928	0.9
75.00872	0.4
80.91662	0.4
81.03450	0.5
82.95394	0.4
83.01385	0.6
85.02937	0.9
89.02457	1.8
99.04515	7.6
101.02445	3.6
113.02493	0.8
115.96627	0.4
116.92841	0.8
119.03493	0.3
120.29943	0.3
125.02443	9.5
125.03313	0.7
130.32391	0.3
133.02934	0.4
151.00362	1.0
151.49519	0.3
161.04524	0.8
177.28500	0.4
183.04436	0.4
188.00496	0.4
200.04762	0.4
203.05655	0.4
255.02989	23.5
256.03662	4.0
268.03799	0.6
269.04529	1.8
283.02487	20.7
284.03253	68.3
285.03784	5.0
297.04034	4.6
298.04813	8.5
299.05591	100.0
300.05966	4.2
305.08676	1.6
313.03552	1.8
321.07486	0.4
327.05142	0.4
341.06653	1.6
396.12503	0.4
428.07056	0.6
443.09549	0.7
443.22778	3.7
446.08575	5.9
447.08997	0.5
461.10907	56.3
462.11185	3.0
488.09604	7.5
489.10019	1.6
503.11948	42.0
504.12256	2.3
543.14954	4.4
605.15118	1.2
605.34186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
66.96154	0.4
67.04955	0.3
70.04873	0.4
70.05202	0.7
70.34731	0.3
75.87011	0.3
89.05391	0.4
120.04547	0.5
125.42179	0.4
267.32108	0.4
289.22812	0.4
415.15497	0.4
416.16431	0.5
428.16217	0.9
429.17050	0.8
430.18112	1.5
443.18820	0.6
455.18814	0.8
457.20532	1.8
459.17627	2.4
461.23441	0.7
470.21158	0.6
471.18304	1.6
472.19073	0.9
473.19608	4.3
474.20236	0.5
475.21130	0.6
485.19720	2.0
485.23895	1.2
486.20966	3.2
487.21396	1.1
496.18793	1.0
499.17990	1.6
501.23669	3.3
511.21393	2.2
512.22076	0.7
513.19617	2.0
514.20038	8.2
517.72998	0.5
518.19604	1.2
528.21533	0.8
529.22449	100.0
530.22668	6.5
532.21307	1.5
533.22070	2.1
561.24353	1.0
570.87207	0.4
573.21405	1.6
586.08929	0.4
605.23932	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99299	18.3
71.41342	3.1
74.03811	3.1
78.95923	14.8
84.45789	3.2
85.00442	5.4
87.00880	2.8
88.98802	99.1
89.02442	100.0
96.96008	53.9
103.92066	5.2
110.00546	2.6
116.60377	3.4
148.90976	7.1
152.99570	3.9
184.84358	2.5
279.23141	5.5
393.62640	3.0
398.22888	3.3
507.27078	4.0
605.21478	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40075	3.5
53.87263	3.0
57.03445	13.1
59.01368	27.7
61.82827	3.0
61.98824	44.2
62.86237	3.6
69.26706	5.9
69.27116	12.3
71.01397	7.5
76.26855	3.6
89.02450	6.3
97.02943	4.3
99.04527	12.0
100.32354	3.3
101.02437	10.4
106.81909	3.4
113.02460	4.1
125.02448	5.0
126.62378	3.7
145.04428	3.5
149.40912	3.8
161.04472	4.7
171.10281	7.6
172.10619	4.5
194.08891	3.3
197.11794	4.9
209.11769	4.0
211.13283	5.2
234.42766	3.6
247.20796	6.2
252.73276	3.1
253.09303	36.4
291.19644	36.7
309.20709	100.0
309.24353	4.8
311.60229	4.0
443.30081	3.8
508.79642	3.7
545.29395	8.4
584.65967	4.1
605.32898	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34167	5.2
53.40641	5.8
57.03430	5.7
57.11087	4.4
57.29092	4.8
59.01384	27.4
61.98828	36.8
69.31102	14.2
69.31485	13.2
71.01389	5.9
78.37660	5.0
79.04207	5.7
89.02444	9.6
94.92208	5.3
98.22699	8.9
101.02428	11.8
161.04523	6.7
195.93105	6.3
197.11842	19.4
253.09251	38.2
291.19684	37.7
309.20706	100.0
560.80701	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09153	5.7
50.75774	6.3
57.03451	11.4
57.31165	6.1
59.01372	29.7
61.98840	41.7
71.01382	7.9
83.48872	6.7
89.02466	15.1
90.28441	6.4
99.04591	8.3
101.02454	8.6
107.53456	7.1
125.02430	7.2
171.10306	10.3
195.13918	9.5
223.13432	6.3
253.09285	42.5
278.88849	7.1
291.19623	37.5
293.01086	7.5
309.20688	100.0
392.03741	6.4
456.24973	6.9
523.08844	7.3
605.33728	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99030	2.9
55.01867	3.7
57.03447	12.8
59.01378	32.2
61.98833	15.9
71.01382	11.2
74.82568	2.9
85.02966	4.6
89.02470	9.1
93.64823	3.1
97.02954	14.6
99.04533	12.8
101.02451	10.3
107.22047	3.1
110.67854	3.4
113.02481	3.4
125.02435	8.8
128.27278	3.6
137.09702	5.1
159.10312	5.5
161.04530	8.3
171.10287	10.9
183.13866	8.2
221.15532	4.9
253.09276	53.4
291.19608	18.8
309.20700	100.0
402.20728	3.7
421.01685	3.6
605.32220	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
60.78820	0.4
61.98825	2.5
62.19455	0.4
65.00352	0.6
70.97708	0.7
73.02954	0.4
73.79306	0.4
83.01391	0.5
85.51254	0.4
94.69795	0.4
132.02086	0.5
134.03711	0.5
149.10149	0.4
151.00381	1.5
183.04582	0.5
223.30373	0.4
227.03503	0.6
255.02992	38.5
256.03604	3.3
268.03748	1.0
269.04514	3.7
283.02484	17.3
284.03265	72.3
285.03882	6.6
293.75211	0.4
297.04037	11.8
298.04810	10.0
299.05603	100.0
300.05975	3.6
339.05286	0.6
341.06659	1.0
344.42636	0.4
443.09503	1.1
447.09137	1.1
467.06342	0.5
473.10785	0.5
485.95764	0.5
487.12555	0.5
546.69574	0.4
607.16687	90.1
608.17212	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	607.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01369	4.3
61.98823	1.6
69.42239	4.3
69.42581	1.5
71.01370	3.2
80.36496	1.0
85.02940	1.9
89.02411	2.2
93.03465	2.1
99.39646	1.0
100.85246	1.0
101.02416	1.7
103.96042	1.0
107.01404	1.0
107.50832	0.9
117.03481	7.0
119.05016	1.8
124.56519	0.8
125.02444	1.1
135.04466	1.4
153.04044	1.1
161.02425	3.4
163.03990	1.9
165.01956	1.7
175.03961	2.9
177.01942	2.3
185.02504	1.2
189.01913	2.5
191.03448	1.9
201.02032	1.7
203.03458	2.6
207.02954	3.1
213.02075	1.1
219.03084	1.9
221.04405	1.0
239.07080	1.1
243.02818	1.1
249.03967	1.5
251.07077	2.0
257.04910	1.1
268.07120	1.3
269.04645	1.6
271.50262	1.1
275.05554	2.3
281.04532	4.1
282.05286	4.9
283.06097	16.7
293.04517	1.9
293.08102	1.4
294.05362	1.4
295.06116	13.3
296.06839	4.7
297.07651	19.1
307.06104	4.6
308.03348	1.4
309.04099	1.6
309.07675	3.0
310.04785	1.3
311.05579	18.9
319.06168	1.6
321.04007	1.5
322.04959	2.2
323.05588	14.3
324.06039	1.5
325.07056	7.0
335.05554	2.5
337.07117	8.3
339.05093	8.8
341.06628	6.5
349.06958	1.9
351.05029	8.0
353.06628	32.2
354.07114	2.2
355.08099	1.5
363.04996	3.7
365.06607	5.2
367.08246	2.9
369.06137	15.7
381.06015	7.8
382.06110	1.2
383.07745	20.6
393.05997	2.6
395.07767	3.4
399.07117	5.4
411.07455	1.7
413.08453	2.6
431.09766	2.8
437.08649	3.0
443.09970	2.1
455.09882	5.1
459.09387	11.8
467.09683	1.3
471.09332	5.8
472.09930	1.8
473.10907	37.0
474.11319	1.7
483.09161	2.4
485.11136	1.8
487.08676	1.3
489.10294	11.8
501.10394	2.8
503.11990	2.6
531.11389	1.8
547.23798	2.2
557.13000	14.5
575.14044	100.0
576.14307	6.5
607.13690	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	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79548	0.5
57.03462	0.7
59.01364	1.9
61.98837	0.6
64.21807	0.4
71.01379	1.5
73.02930	0.6
78.95901	1.0
83.26849	0.5
85.02932	1.2
89.02439	1.5
90.00262	0.5
93.03473	1.2
96.96011	4.9
96.96956	1.4
101.02448	1.8
113.02431	1.4
117.03461	3.7
118.75319	0.5
119.05062	0.8
125.33183	0.5
129.44611	0.5
135.04520	0.8
147.04456	0.7
149.02449	0.7
161.02458	2.6
161.04588	1.1
163.04008	0.7
166.49782	0.5
175.03978	1.1
177.01965	1.1
179.03537	0.6
181.86778	0.5
189.01915	1.5
191.03493	0.8
201.01941	1.1
203.03531	1.6
205.01393	0.7
205.05122	0.5
205.12425	0.7
207.03029	1.0
219.02934	1.1
231.03107	0.9
243.03027	0.8
251.07028	0.7
267.06586	0.7
269.04465	0.9
281.04507	1.1
282.05276	1.7
283.06079	7.4
293.04459	1.3
294.05222	0.7
295.06137	6.8
296.06909	2.5
297.04205	0.9
297.07602	7.5
307.06149	3.8
309.04160	0.8
309.07663	2.7
311.05603	12.2
321.04199	0.7
321.07712	1.1
322.04675	1.1
323.02130	1.0
323.05600	9.2
323.09256	0.8
324.06223	2.0
325.07172	4.7
328.05811	0.9
335.05597	1.9
337.03683	0.7
337.07245	4.4
339.05154	5.4
341.06689	2.5
349.07193	1.3
351.05054	10.5
353.06641	20.0
355.07932	0.6
356.05365	0.8
363.04971	3.4
365.06662	2.6
367.08194	1.2
369.06134	8.5
381.06046	4.5
383.07733	9.3
393.06168	0.7
395.07584	1.2
399.07071	1.2
411.07321	1.1
413.08734	0.9
419.07703	1.3
431.09778	2.3
437.08838	1.9
443.09686	1.4
455.09869	1.5
457.11411	1.0
459.09262	6.8
464.06924	0.6
471.09357	8.9
472.09937	1.2
473.10864	15.0
473.17734	0.7
483.09232	1.5
485.10971	1.4
489.10410	5.5
501.02307	0.6
501.10318	1.7
503.11850	2.1
529.22968	1.5
531.11633	1.5
557.13037	12.8
567.08008	0.5
575.14001	100.0
576.14465	5.3
607.16669	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	607.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35811	1.9
59.01379	3.0
62.49616	1.8
70.36681	3.2
78.95902	100.0
85.00414	4.5
85.47437	1.8
86.96927	1.8
96.96006	2.1
96.96934	3.9
98.95572	2.7
99.92587	11.2
100.93349	17.5
103.01476	2.9
108.39301	2.0
115.92081	24.8
116.92849	26.7
135.08095	2.1
135.14706	2.0
150.36552	2.1
150.97998	4.4
152.99590	45.8
163.89726	4.2
164.90485	4.1
171.00644	6.1
172.95447	5.0
178.88489	11.1
179.89235	29.8
180.89998	21.2
181.90810	6.6
186.86615	2.0
196.89465	41.7
205.90804	6.9
206.91565	4.4
235.91801	7.8
236.92593	22.3
245.04350	10.1
253.21667	5.0
279.23276	9.3
309.95059	2.5
335.63165	3.0
363.08020	2.2
478.24036	2.3
481.25665	11.4
498.14136	3.8
499.15521	11.2
516.15668	5.5
559.18066	2.6
571.17389	8.4
589.18445	4.7
607.19757	66.5
608.19904	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	607.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.2
59.01379	100.0
61.98822	18.2
71.01383	84.2
72.99310	3.1
73.02946	18.6
73.04060	4.1
74.02471	5.2
75.00841	3.0
83.01414	5.2
85.02956	25.1
87.00873	11.6
88.04028	4.8
89.01926	5.5
89.02448	73.5
95.01355	5.9
96.00925	3.9
96.96023	3.8
97.02952	5.2
99.00883	4.1
99.04521	4.0
101.02448	70.8
107.63587	3.3
113.02452	32.9
119.03506	39.4
121.06566	3.6
125.02461	21.6
127.05170	8.9
128.03537	15.2
131.03479	7.6
137.09720	12.5
141.24185	2.8
143.03485	8.7
143.04622	15.1
149.04572	5.6
149.87332	2.9
160.00659	4.9
161.04552	27.4
161.71167	3.1
167.03442	3.3
167.04680	3.9
175.11336	5.3
176.98151	3.4
179.05624	63.9
195.20535	3.4
204.11565	4.9
205.12318	54.2
214.13342	2.8
221.06650	23.9
223.45102	3.3
236.80403	3.0
263.07773	7.7
272.08878	5.7
306.07626	36.9
323.09830	52.8
353.06564	4.6
367.17551	4.0
380.15573	3.5
383.07611	3.3
393.71445	3.4
397.13669	4.8
407.35916	3.6
409.13602	8.5
473.10712	6.8
529.23041	45.8
547.23907	3.1
589.11609	4.4
607.29236	9.4
608.19940	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	609.1455
Annotation	isoorientin 7-O-glucoside
Peak:m/z	Relative Intensity
59.01380	5.3
68.08366	0.9
69.33870	3.6
71.01366	2.3
83.01385	1.4
84.63278	0.8
86.98060	0.8
89.02441	2.7
98.22604	1.9
101.02461	1.4
107.01395	1.0
109.02953	2.6
113.02400	1.4
121.02956	10.4
133.02959	13.5
134.03740	1.3
135.04527	2.4
145.02988	1.2
147.04518	1.3
149.02472	1.1
151.00392	1.2
161.02444	2.4
163.00320	2.2
163.03998	2.0
175.03966	3.8
177.01891	1.8
177.05635	1.1
189.01901	0.8
191.03482	1.2
193.01456	1.0
199.03955	1.6
201.01909	1.7
203.03432	2.0
209.04559	9.2
211.04013	0.8
225.05464	1.0
241.05055	1.4
253.05086	1.6
255.02917	1.8
267.06464	1.1
269.04529	2.4
283.06152	1.7
284.03253	6.4
285.04031	11.7
297.00809	1.4
297.04044	22.1
298.04807	27.8
299.05533	12.9
309.04077	1.3
311.05624	9.7
312.06299	5.3
313.07169	3.0
323.05591	1.2
324.02548	1.3
325.03473	1.3
326.04190	0.9
327.05078	53.0
328.05350	1.8
339.05069	13.8
341.06644	5.6
353.06699	2.6
356.05438	1.0
357.06143	48.4
358.06403	2.7
369.06110	27.0
371.08142	1.1
381.06039	4.2
387.07263	1.6
399.07144	19.4
400.07706	1.0
411.07111	3.8
417.88660	1.1
429.08237	7.4
441.08209	2.2
447.09296	100.0
448.09540	4.3
489.10358	25.3
490.11005	1.2
519.11517	6.9
549.25500	4.1
565.77637	0.9
606.58661	0.9
609.14575	66.1
610.14722	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.7
61.53761	0.6
64.81983	0.7
65.00328	0.9
76.37337	0.6
76.89497	0.5
83.01407	0.9
96.36157	0.6
107.01367	3.0
108.02159	1.7
109.02983	1.2
111.71647	0.6
121.02955	1.5
135.00906	0.7
148.01691	1.9
149.02397	0.8
151.00374	11.2
163.00385	3.0
171.30792	0.6
178.99844	6.5
180.95190	0.6
181.28554	0.7
199.03981	0.8
201.05681	0.7
211.03960	1.1
216.04305	0.9
226.02708	2.4
227.03395	3.2
231.88585	0.6
243.02979	11.0
244.03683	0.6
245.04564	2.2
254.02228	2.2
255.02977	27.3
256.03494	1.3
271.02478	56.6
272.02954	3.6
283.02469	1.9
299.02002	1.8
300.02744	100.0
301.03491	37.6
302.03815	1.3
340.82962	0.6
456.62482	0.6
576.03021	0.7
579.75958	0.8
609.14545	88.4
610.14923	5.6
629.17389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Rutine
Peak:m/z	Relative Intensity
50.67675	0.7
60.60339	0.7
65.00314	1.7
70.93127	1.1
73.03027	0.7
83.01369	1.3
87.00861	2.7
94.13244	0.7
100.40871	0.8
107.01358	3.2
108.02167	1.6
109.02906	1.2
121.02989	1.9
148.01691	1.2
151.00359	11.7
163.00313	2.7
169.01494	1.0
178.99843	6.7
211.03951	1.1
226.02635	1.3
227.03419	3.3
243.02986	11.9
245.04301	1.2
254.02173	1.8
255.02972	28.4
256.03592	1.1
271.02472	60.4
272.03018	3.5
273.03961	1.1
299.01886	1.1
300.02747	96.6
301.03500	35.1
302.04034	1.1
394.31464	0.8
496.16092	0.8
609.14569	100.0
610.14838	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	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	0.6
57.03452	11.0
59.01385	5.1
61.98830	3.4
71.01369	2.6
73.02971	0.5
74.09576	0.5
75.00880	1.0
83.01382	0.9
87.00887	1.1
89.02430	1.7
89.77832	0.5
96.96007	1.9
99.04510	1.0
101.02428	1.4
107.94772	0.6
109.02926	0.7
111.75732	0.5
113.02469	1.4
113.03585	0.9
116.92841	0.6
121.02979	0.7
123.11836	0.6
125.02448	50.3
126.02770	0.9
133.02959	15.0
135.04556	0.8
137.09711	0.8
147.00871	0.7
149.02446	1.7
151.00215	0.6
151.04041	1.0
159.11749	0.7
161.04556	1.0
163.04008	0.7
164.04785	1.9
175.00383	4.1
176.01038	1.2
177.01926	100.0
178.02318	1.4
186.12560	0.7
190.02704	10.0
193.01349	0.9
205.05067	7.7
223.06110	2.3
239.12865	1.9
247.09898	0.8
255.71996	0.6
259.05966	1.1
265.07217	0.9
272.08554	0.6
274.27240	0.6
285.03967	7.2
301.07135	1.4
303.05164	1.1
339.07236	13.1
381.08157	4.4
411.20120	1.1
421.11401	1.0
450.81024	0.6
465.10513	3.6
483.11438	21.6
484.11356	0.7
507.11508	1.2
520.48157	0.8
609.14636	8.9
609.25507	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	609.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01381	8.2
61.98828	2.2
63.95195	0.4
65.00327	0.5
65.61163	0.4
71.01376	5.1
73.02933	0.5
75.00842	0.6
83.01331	0.4
85.02950	1.8
87.00861	0.5
89.02442	3.4
90.82940	0.5
91.01917	1.7
91.05561	0.4
93.03466	1.1
98.22615	1.0
99.04527	0.5
101.02431	2.2
103.37464	0.4
104.77132	0.4
107.05027	0.7
113.02428	1.3
114.05634	0.5
119.01402	4.4
121.02944	2.3
125.02457	1.9
133.02974	0.8
134.03758	1.2
135.04512	1.6
143.02190	0.4
145.02963	0.5
145.11041	0.5
147.00883	4.2
147.04552	0.7
149.02431	12.0
150.03084	0.8
151.03960	0.6
152.01135	1.1
153.13759	0.4
161.02457	0.8
162.03186	0.7
163.04015	2.3
164.04790	12.1
165.01866	0.9
175.00362	29.5
176.00864	0.9
177.01955	2.2
179.07120	2.0
189.02007	0.7
190.02711	73.4
190.93448	0.5
191.03264	3.0
194.02296	0.6
201.77165	0.4
205.05046	72.9
206.05484	2.5
207.03088	0.7
208.03752	2.0
209.04538	1.8
211.13400	0.5
221.08124	1.3
223.03951	1.0
223.06116	15.3
249.11444	0.6
255.02974	1.7
256.03311	1.4
257.03613	1.6
265.07077	4.2
283.02472	0.6
284.03162	4.1
285.03607	3.2
286.03922	2.3
295.08121	1.0
297.03815	0.6
298.04654	0.8
299.05536	4.9
300.05899	4.9
301.06076	4.7
325.09302	1.1
465.26938	0.5
483.03571	0.5
594.23700	0.7
609.17096	10.1
609.25494	100.0
610.16687	0.6
610.25793	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	609.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.7
58.00589	1.5
59.01379	100.0
61.98827	4.5
66.94748	1.3
69.20121	6.8
71.01379	57.1
76.16300	1.1
83.01363	1.7
85.02957	9.3
87.00885	3.1
89.02444	76.9
94.61110	1.5
95.01407	4.4
96.96030	1.5
97.02197	1.8
97.02910	1.7
98.52783	1.3
101.02438	29.7
105.03446	2.4
113.02443	24.2
116.92735	1.6
119.03506	30.7
125.02476	1.8
131.03499	5.9
133.02962	11.2
135.04547	2.1
143.03499	8.0
149.04559	3.8
151.08810	1.3
161.02463	2.1
161.04533	10.8
177.01944	4.3
179.05609	38.7
197.98109	1.6
298.04919	1.5
319.84540	1.3
327.05017	4.3
357.06076	5.4
369.19257	2.9
447.09390	3.2
549.17664	2.7
549.25555	28.0
609.14807	6.6
609.26996	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93462	9.1
59.01386	50.9
69.08178	64.2
73.01601	11.1
74.11594	10.3
75.77047	9.0
95.54772	9.0
121.02930	18.6
161.04492	13.1
182.66507	10.7
191.36526	11.9
239.65398	12.0
343.25162	16.2
344.25629	10.7
362.26831	29.4
403.27283	26.9
404.28125	100.0
446.29865	10.9
562.95056	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	609.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84345	0.5
59.01364	0.7
63.18772	0.4
66.62980	0.4
69.69670	1.5
80.04607	0.5
86.48209	0.5
93.03458	0.5
95.05024	32.6
98.22596	1.1
114.15014	0.5
116.92900	0.5
150.02975	1.5
167.10918	0.6
179.14418	1.3
181.12369	0.6
189.05324	1.4
195.13908	9.7
196.14673	2.0
205.12271	1.0
205.15971	0.6
208.03529	0.5
223.13400	6.5
225.11339	0.8
228.13603	0.6
231.21199	0.6
246.12341	28.1
247.12840	0.8
256.13147	1.9
265.21716	0.5
275.20148	4.5
278.11340	53.6
279.11676	1.3
293.21222	100.0
294.21555	3.6
315.19397	30.6
316.19757	1.1
572.32098	1.9
609.41473	17.1
610.41681	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	610.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65044	2.2
57.03448	42.1
59.01380	67.1
61.98828	100.0
69.60556	8.5
71.01376	21.9
71.86552	2.3
73.02947	16.4
73.04075	3.3
75.49802	1.9
77.85222	2.3
80.64716	2.2
81.03483	2.1
83.00907	2.0
83.01379	6.4
84.02185	3.2
85.02941	3.0
87.00858	2.0
87.69916	2.0
88.04040	2.1
89.02461	13.3
96.96030	2.8
97.02896	3.3
97.04060	2.5
98.21932	4.7
99.04519	48.5
100.79066	2.4
101.02456	31.4
110.02486	2.5
113.02444	10.8
115.05173	4.7
116.07167	7.0
119.03494	6.6
123.04499	7.1
125.02445	37.0
128.03537	3.4
137.02451	2.4
143.04581	3.1
149.02446	3.2
153.06693	18.5
160.91386	2.3
161.04597	5.0
167.03479	7.9
169.13504	11.0
173.90981	2.3
179.05615	6.3
193.35774	2.1
205.12325	4.8
209.04590	11.0
213.12444	8.4
223.13351	7.9
224.10306	5.5
232.10957	2.3
239.05598	9.0
269.06708	2.9
298.04294	2.5
299.05023	3.4
310.17700	4.2
323.13531	3.8
327.04999	4.2
328.05396	8.3
358.06177	3.7
367.17529	2.9
385.18594	6.7
400.07501	2.6
403.19614	10.1
427.20004	2.7
431.09781	2.5
445.20834	8.0
448.09448	6.1
451.03973	2.6
491.11987	3.1
503.25082	3.7
537.26630	7.9
540.28851	2.7
547.23889	59.2
548.24524	5.3
550.25140	2.6
551.15741	2.1
567.27802	28.8
610.14648	4.5
610.35583	5.3
611.30426	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.5
59.01378	20.5
60.95893	0.9
61.98829	100.0
63.29979	0.9
71.01382	7.1
71.46623	0.8
73.02942	2.9
83.01387	1.5
85.02946	3.3
87.00883	1.3
88.98825	2.0
89.02448	4.2
95.01361	1.2
99.04518	17.1
101.02451	10.7
103.18869	1.0
111.00885	1.2
113.02451	2.9
125.02454	10.7
143.03484	2.0
157.60982	1.1
159.64084	1.1
161.04517	1.1
171.23955	1.3
172.30292	0.9
175.98645	1.0
179.03464	1.8
179.05611	1.1
205.35344	1.3
223.13312	1.2
385.18765	11.0
403.19702	21.6
445.20734	9.7
485.23901	1.4
503.24850	1.9
547.23901	32.6
548.24078	1.7
610.29974	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	611.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82790	22.9
78.95920	31.6
88.47195	14.7
92.92806	15.2
95.73579	14.2
96.96011	100.0
133.88235	13.4
154.27209	13.3
157.95232	14.5
274.68668	14.4
367.37109	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	611.1439
Annotation	Glutathione disulfide
Peak:m/z	Relative Intensity
54.29204	1.8
58.02966	5.1
59.54159	1.7
60.99267	2.3
67.44913	1.8
70.99757	1.8
74.02470	14.2
82.02962	2.1
86.02460	7.6
88.98811	10.4
90.00167	2.9
92.67825	2.1
96.15628	1.7
96.95965	2.9
99.05640	10.5
108.92045	1.8
113.29171	1.8
115.00381	2.4
116.00694	1.7
116.01677	2.8
128.03546	37.0
135.05632	4.2
141.06694	4.2
143.03535	2.7
143.04623	50.2
145.06186	3.2
146.04582	5.0
151.10782	2.1
153.06683	4.6
160.00780	12.0
166.09862	2.4
167.04581	3.0
177.03421	3.5
179.04587	11.4
181.06268	2.4
198.08591	2.2
210.08806	8.1
254.07867	9.0
263.09866	2.3
272.08875	31.1
288.06406	3.8
304.05963	13.7
306.07639	100.0
338.04816	10.6
377.87265	2.2
396.34097	2.5
482.09970	3.7
611.14331	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1618
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
52.67095	1.3
56.04793	1.2
57.03455	3.8
57.25941	1.2
59.01376	7.4
59.78992	1.3
62.14937	1.1
64.64667	1.3
70.47801	2.8
71.01382	2.9
73.02959	5.8
81.03462	5.3
83.01387	1.6
84.17702	1.4
87.00863	1.7
89.02439	2.4
89.18685	1.3
97.03006	2.0
98.21978	2.0
99.04508	1.7
101.02444	2.9
103.04039	2.5
109.02976	11.3
109.41781	1.5
119.83601	1.4
121.02938	7.6
123.04549	2.7
125.02454	24.4
133.02904	1.3
136.61378	1.2
137.02457	15.1
138.03236	5.8
139.04036	1.4
143.03493	2.6
148.01620	1.9
149.02443	51.0
155.39813	1.4
161.02509	4.2
163.00351	1.6
163.06126	5.2
164.01147	9.5
165.01941	13.0
166.02699	19.3
167.03485	23.1
171.04518	2.1
174.03227	2.0
175.04037	16.6
176.01184	4.7
177.01868	2.3
187.04066	1.6
192.00652	8.0
193.01443	4.2
197.06120	2.2
198.03255	3.4
199.04015	16.1
201.01956	4.4
205.07306	3.2
213.05576	2.6
215.03568	1.4
217.05067	17.7
224.28622	1.3
226.02814	2.0
240.19405	1.4
241.05066	33.1
242.02332	2.0
243.02940	6.5
257.04633	2.6
263.15552	1.3
267.02771	1.4
285.04056	100.0
286.04434	5.5
303.05161	9.2
410.92545	1.4
475.14542	43.0
476.14838	2.6
485.13000	6.6
501.12415	10.6
600.44177	1.4
611.16193	31.5
612.16724	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	611.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.2
61.98817	2.5
65.00320	2.4
65.88797	2.2
69.63625	7.4
83.01389	3.8
89.02454	2.3
93.03444	5.2
95.01381	3.1
107.01399	4.4
121.02963	3.4
124.01640	7.1
125.02445	62.4
136.01656	7.0
137.02448	4.5
149.02405	8.0
151.00360	27.2
151.03951	3.0
152.01173	24.7
153.01915	9.6
163.00336	3.7
165.01915	32.5
178.99863	13.4
200.04819	2.6
209.04529	2.9
227.03477	3.2
228.04332	3.3
230.05812	2.9
255.02921	2.4
255.06589	2.3
256.03769	10.5
271.05881	3.3
273.07623	2.7
274.04788	5.3
284.03238	34.0
289.07150	59.4
299.05597	100.0
300.05893	2.5
317.06641	18.5
433.08344	2.3
593.15118	5.5
611.16101	99.8
612.16400	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	611.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53736	0.7
57.03430	2.8
59.01382	5.4
69.93159	1.5
69.93498	1.1
71.01398	2.0
73.02940	3.5
81.03444	2.4
83.01406	0.9
85.02963	0.8
87.00876	1.4
89.02428	1.9
101.02430	2.8
103.03999	1.1
107.01405	1.3
108.02157	0.9
109.02943	2.2
115.03984	1.4
119.03506	1.5
121.02941	2.4
123.04494	1.4
125.02451	16.5
131.03487	1.9
131.05092	0.8
132.29549	0.8
137.02486	5.9
138.03232	2.4
143.03519	1.2
145.66780	0.8
147.04587	0.9
148.01631	1.2
149.02451	26.7
155.04948	1.4
161.02448	4.7
163.00401	1.7
163.06134	2.4
164.01146	6.8
165.01900	4.1
166.02716	9.1
167.03496	7.6
171.04535	1.8
174.03238	1.6
175.04005	13.8
176.01163	4.2
177.01949	1.4
185.06067	1.2
192.00586	5.8
193.01442	2.4
197.06075	2.2
197.76163	0.8
198.03217	3.0
199.03990	19.3
201.01981	4.0
205.07216	2.3
213.05547	4.6
214.10883	0.7
215.03534	1.0
217.05070	13.1
223.04034	1.5
226.02652	1.1
241.05070	33.7
242.02246	1.7
243.03032	6.8
257.04568	1.8
285.04056	100.0
286.04361	5.2
312.37802	0.8
322.39780	0.8
385.93912	1.0
447.78058	0.8
475.14569	24.0
485.13034	6.7
501.12756	5.9
611.16205	26.5
612.16296	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	611.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75642	1.8
57.03445	28.9
59.01380	100.0
59.64154	1.7
61.98834	10.8
69.04377	1.6
69.57802	5.7
71.01384	31.5
73.02958	13.6
75.00857	2.8
81.03430	3.3
83.01378	6.3
85.02951	9.4
87.00855	1.8
89.02446	27.2
95.01395	3.5
96.96034	3.2
99.04517	14.6
101.02449	27.5
113.02450	19.1
119.03492	13.0
121.02876	2.5
123.04504	2.6
125.02463	14.8
131.03503	1.9
143.03506	2.7
149.04538	2.4
161.04547	5.5
165.12804	2.2
167.03473	4.7
171.01683	1.9
179.03539	2.7
179.05605	9.7
183.23447	2.0
207.13892	2.8
209.04544	6.5
209.11795	5.7
225.14946	7.1
227.12889	33.7
269.13861	9.7
287.15005	74.9
329.16098	3.9
346.96039	1.9
350.02954	2.1
359.17004	4.8
389.18167	6.8
404.20364	1.8
431.19119	3.0
438.45480	2.1
449.20251	45.5
450.20615	1.8
467.21292	36.6
468.21570	3.0
509.22479	5.1
533.92889	1.8
548.24866	2.4
611.24969	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63830	4.7
52.92427	5.3
56.94796	4.1
57.34245	4.1
57.51177	4.7
59.01377	77.2
61.98816	6.3
71.01382	31.4
72.11565	4.7
85.02866	6.2
88.98814	7.0
89.02438	43.4
99.04534	33.4
101.02434	13.0
113.02420	11.3
119.03511	7.4
133.87419	4.8
149.76172	5.2
151.00301	6.4
181.48885	4.9
207.13913	34.6
251.12892	89.1
261.48047	4.9
274.93787	5.1
285.03928	9.3
372.82748	6.2
431.19235	96.9
611.25476	100.0
635.52264	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	611.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
56.79061	0.3
57.03432	1.0
58.00589	0.5
58.90000	0.3
59.01377	23.2
61.98828	4.1
69.03448	1.0
69.37557	0.7
69.37962	1.0
71.01381	14.5
72.99297	0.4
73.02940	2.8
75.00858	0.7
79.01921	0.3
81.03440	0.5
81.97952	0.2
82.39136	0.3
83.01391	1.9
83.05053	0.3
85.02953	3.4
87.00883	2.8
89.02441	12.7
94.98090	0.5
95.01384	1.0
95.05032	0.3
97.02953	1.5
99.00883	0.6
99.04512	0.6
101.02439	11.7
102.71889	0.3
113.02443	5.6
116.92845	0.4
119.03503	3.9
121.02954	0.9
125.02434	4.0
125.51991	0.3
131.03488	0.6
135.04478	0.3
141.01912	0.3
143.03502	1.9
143.10905	0.3
149.04587	0.6
151.00456	0.3
161.04565	3.7
179.05617	2.6
183.13896	14.0
184.14162	0.6
185.04489	0.4
190.02692	0.6
195.13892	12.1
196.14267	0.4
205.05000	0.6
205.12332	0.3
211.13396	0.6
213.14951	100.0
214.15285	2.9
217.07199	0.4
217.44208	0.3
221.06618	0.6
235.08240	4.5
239.40323	0.3
249.11299	0.5
253.09277	2.1
253.65388	0.3
263.07715	0.6
277.09116	0.3
287.07709	0.9
305.08798	1.1
323.09848	0.6
329.23605	0.4
330.24271	0.6
348.25211	0.4
390.26666	0.7
397.13470	33.1
398.13892	1.4
404.27756	0.5
406.28265	0.4
411.16455	0.4
415.14545	23.4
416.14853	1.1
611.27386	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	611.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95452	1.2
56.85376	1.0
57.03432	3.1
58.02954	3.9
59.01363	6.1
61.98817	8.0
66.03457	1.5
69.51114	4.9
71.01362	2.8
72.99355	1.1
73.02946	1.2
73.04066	10.0
74.02462	1.2
74.79886	1.3
75.44987	1.2
81.03458	1.2
83.01353	1.7
84.00913	2.3
87.05626	2.6
89.02441	1.5
96.95993	3.4
97.04086	3.0
98.02478	2.9
98.06105	2.1
99.04519	2.8
101.02445	2.1
110.02479	6.8
110.06134	1.3
113.07195	4.0
115.05125	15.7
116.07176	20.4
117.03433	1.8
121.02943	1.3
123.04556	1.5
125.02419	6.3
125.03442	1.8
125.07198	5.5
126.06727	4.9
127.05109	4.9
139.08725	1.9
141.10339	5.3
142.05060	2.8
144.07739	4.5
153.06689	59.2
165.06682	1.7
167.02220	1.1
167.03456	5.6
167.11943	2.7
168.07761	4.4
169.06166	3.2
169.13467	36.4
170.13795	1.5
186.08865	2.1
193.09627	1.3
209.04538	5.9
213.12427	33.6
224.08269	1.7
224.10396	26.1
239.05602	4.3
252.13478	1.8
266.18726	1.7
269.06555	1.4
281.12567	2.3
283.04959	1.1
310.17700	18.5
311.07828	1.4
323.13657	14.1
328.05530	1.4
353.14685	2.3
367.19897	5.8
401.08923	1.6
406.25876	3.1
438.23376	6.4
449.20279	1.5
491.11398	1.3
537.26758	14.3
538.26672	2.1
548.24426	2.2
549.26764	4.4
567.27802	96.5
568.27917	6.5
593.28864	1.7
611.14966	2.5
611.30408	100.0
612.30621	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	611.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77588	0.6
54.52927	0.7
57.03450	4.1
58.00620	0.7
59.01379	22.0
59.03051	0.7
60.48103	0.7
61.98831	20.0
71.01381	10.2
72.99305	1.7
73.02956	4.0
75.00880	1.0
78.91882	0.9
80.22665	0.6
83.01410	1.7
85.02946	6.0
85.59994	0.8
86.00111	1.1
87.00872	2.1
88.98800	1.8
89.02449	5.1
93.47602	0.7
96.96002	3.4
98.89711	0.7
99.00896	1.7
99.04501	2.1
101.02446	9.6
113.02452	4.5
119.03526	2.3
121.02989	0.8
125.02480	1.5
135.04514	0.9
161.02467	2.1
161.04549	1.7
164.04654	0.9
172.85689	1.2
179.03497	1.2
190.02702	3.2
205.05016	2.5
207.09731	1.0
211.13483	0.8
222.50519	0.9
249.91322	0.8
269.21240	3.8
285.20334	0.7
287.22278	27.2
307.43353	0.8
329.23596	1.7
330.24323	1.5
348.25375	1.6
355.15891	0.8
390.26392	2.5
413.21994	2.3
431.26495	3.8
434.11652	0.9
449.27539	100.0
450.27802	4.2
473.27676	2.3
518.28632	0.8
522.16284	1.0
549.22992	1.0
611.25525	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	612.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03449	0.7
57.35309	0.5
59.01381	82.8
61.98831	6.0
64.07832	0.7
69.10410	0.5
69.11165	3.8
70.33554	0.6
71.01382	6.3
73.02949	2.1
78.80862	0.5
83.01387	0.9
85.02939	2.8
89.02457	1.0
89.87579	0.5
93.03458	1.2
99.00877	0.8
101.02444	4.6
103.78167	0.6
104.95142	0.5
108.02178	5.6
113.02448	3.0
121.02959	19.5
121.03857	1.0
122.03788	4.2
135.04546	1.3
150.03252	1.6
151.65184	0.7
159.03008	0.9
161.04536	6.6
213.14952	3.4
214.15324	2.2
260.17822	2.6
274.97559	0.6
307.37164	0.6
329.23587	45.6
330.24356	43.5
331.24722	1.8
344.25748	1.5
346.23904	0.8
347.20831	0.6
347.24756	2.1
348.25403	21.1
349.25775	0.8
372.25516	1.5
384.25500	0.8
389.25726	10.6
390.26492	100.0
391.26776	3.9
397.13727	0.9
397.31656	0.6
398.13885	1.4
404.28403	1.3
432.27457	2.2
492.29727	6.5
533.17761	0.6
552.31799	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	613.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98820	2.6
66.79314	1.0
69.37199	4.7
72.72081	1.2
117.03480	2.2
125.39915	1.0
149.02319	1.3
175.11855	1.0
177.02446	1.1
197.11710	1.0
212.64642	1.2
218.62903	1.1
230.75594	1.3
259.84381	1.0
268.03754	19.6
269.04532	100.0
270.04819	3.5
358.34576	1.0
390.26285	1.3
414.09753	1.2
577.15601	61.0
578.15857	3.5
608.29791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.1
71.01386	6.5
71.42104	1.2
78.95908	7.0
83.08515	1.2
89.02440	12.4
96.96955	15.0
101.02451	3.9
107.66919	1.2
110.71396	1.5
113.02497	2.8
114.05602	1.7
119.03488	4.7
131.08261	100.0
156.07735	3.3
173.10423	81.6
179.05577	5.2
191.01953	1.4
226.94014	1.2
252.22025	1.5
271.08130	10.0
301.95139	1.3
341.10846	42.0
377.83090	1.5
439.08530	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	614.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52251	0.4
59.01381	0.7
61.98827	100.0
68.34772	0.3
70.16023	0.4
71.44159	0.5
81.11089	0.4
85.06079	0.4
91.85255	0.4
100.49049	0.4
108.02161	3.1
121.02979	0.8
193.05075	0.5
235.13577	0.9
281.64987	0.4
385.48053	0.4
391.27371	0.8
392.28033	14.4
531.47253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02013	3.1
57.06129	3.3
58.02953	4.2
61.02926	3.5
69.77856	3.0
70.82015	5.1
70.82365	3.0
74.02462	9.8
87.05623	5.7
97.71768	3.5
99.05637	15.6
115.17776	3.6
120.63679	3.6
128.03543	27.4
130.53105	3.6
134.65678	3.7
143.04597	39.2
160.00703	12.0
161.00812	3.8
165.01222	3.7
179.04567	7.5
254.07776	12.3
267.53711	3.6
272.08893	20.5
288.06686	7.7
306.07669	100.0
531.90851	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	614.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.8
70.33300	7.0
70.33613	5.5
74.02477	9.0
82.02982	6.1
99.05643	10.9
102.05616	5.0
105.24570	4.7
128.03535	21.2
143.04637	34.5
157.76305	4.7
160.00728	15.5
177.03458	6.9
179.04610	6.6
200.61055	4.9
236.12187	4.4
244.05428	4.8
254.07826	9.0
272.09003	14.8
288.06561	9.2
306.07626	100.0
567.88257	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	614.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18847	1.8
55.76563	2.0
59.01367	7.0
61.98825	8.6
64.14049	1.8
69.13523	10.6
78.88177	1.8
80.01173	2.0
83.30740	1.9
98.03882	1.8
98.22694	3.8
100.90707	1.9
108.02176	14.7
110.32287	1.9
121.02944	7.9
122.03783	1.9
150.78412	2.0
235.13329	3.8
269.04428	3.5
273.18634	2.3
289.17902	2.4
310.84647	1.9
391.27112	7.7
392.28079	100.0
393.28268	7.0
483.45493	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	614.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53160	0.7
56.11325	0.7
59.01378	5.1
59.31409	0.7
61.98827	100.0
69.07726	5.5
71.01376	1.2
92.01937	0.8
92.92822	1.0
98.22248	5.4
103.14069	0.8
108.02168	14.6
121.02931	6.0
123.74942	0.9
135.04488	0.8
186.69821	0.9
235.13445	5.4
269.04517	8.2
270.04926	4.3
273.18567	2.3
289.18329	0.9
290.42554	0.8
291.19690	1.6
391.27286	6.6
392.28030	85.1
393.28305	4.3
423.92123	0.8
578.15619	1.1
593.98065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01378	5.1
61.98829	100.0
66.27626	0.3
71.01386	2.1
71.46957	0.3
73.02964	0.8
75.05407	0.3
78.56495	0.3
82.95414	0.8
83.01395	0.4
84.95113	0.6
85.02958	0.5
89.02458	1.0
92.66969	0.3
96.96012	5.9
99.04513	2.9
101.02439	2.3
113.02472	1.1
114.93410	1.0
116.92857	1.0
119.03463	0.4
123.04530	0.4
125.02443	1.0
154.93161	0.4
161.04645	0.5
175.04077	0.4
181.05025	0.4
615.30328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86831	1.3
51.90135	1.4
58.02962	4.9
61.98830	2.2
71.04856	1.6
74.02473	12.9
86.02488	3.8
87.05637	4.1
97.04095	2.6
99.05637	13.8
102.05603	2.1
109.07702	1.4
109.35915	1.5
122.85615	1.4
123.05663	1.5
127.05124	2.3
128.03546	26.4
135.05676	3.4
141.06703	1.6
143.04616	40.7
145.06200	1.9
146.04565	4.3
153.06683	2.5
160.00764	7.5
166.09843	2.6
167.04562	3.1
167.08322	2.0
170.03345	2.0
177.03369	2.8
179.04645	10.8
181.06287	1.7
190.95641	1.4
210.08887	6.9
211.27257	1.7
244.05453	1.5
254.07861	12.9
272.08871	24.0
288.06552	7.6
306.07642	100.0
307.07794	3.1
418.36823	1.6
547.36005	1.6
616.28979	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	617.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
72.72636	3.8
96.96028	28.7
103.00448	5.1
103.01503	81.9
182.91669	4.3
222.02937	3.6
222.85214	4.8
226.21230	4.0
303.32980	4.5
465.13663	5.0
625.82336	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	617.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96933	4.0
59.01384	40.7
65.67622	4.0
71.44046	3.3
75.12659	3.6
75.30626	3.7
78.95904	15.5
96.96016	100.0
96.96964	6.9
98.22146	4.8
103.01508	33.4
110.48844	3.5
117.92857	4.2
127.26212	3.3
131.27444	3.8
403.45432	4.4
552.64856	5.0
585.16058	4.3
619.08502	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	618.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.1
59.01375	1.8
61.98814	2.7
62.40529	0.8
67.01891	1.2
69.19653	4.8
71.01369	2.1
71.02490	0.8
82.02979	4.5
82.95411	1.1
84.04546	1.1
87.05630	0.8
88.60786	0.8
89.50919	0.8
89.51634	0.7
93.52733	0.8
94.03097	0.8
94.45962	0.8
94.48674	0.8
96.04537	1.0
96.95994	2.2
101.07206	3.0
102.05597	2.6
109.04073	3.3
110.02493	0.8
110.06097	1.0
112.04039	3.5
113.07189	2.2
114.05655	1.4
116.07174	18.8
118.06632	6.5
123.03264	1.6
127.05139	15.3
128.03543	77.8
141.10330	1.7
145.06197	3.1
146.04614	5.4
146.06224	1.2
153.06664	2.7
163.08760	1.9
164.07141	2.3
165.06688	3.3
166.08740	1.1
169.13501	8.3
170.09724	1.7
174.05608	2.7
179.04590	1.0
181.09814	8.0
183.11395	4.3
186.05649	1.0
186.09227	1.0
213.10370	2.2
213.12419	22.4
214.08705	8.0
225.08804	10.1
231.11369	1.4
257.09314	2.4
274.11957	1.6
275.10364	5.8
324.15448	5.4
342.16568	2.3
417.76926	1.0
422.15781	0.9
456.61264	0.9
489.23218	2.1
600.26740	22.7
601.26740	2.1
618.27802	100.0
619.27734	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	619.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84869	0.3
59.01379	9.1
59.11316	0.4
61.98834	0.4
69.99872	0.4
70.61474	0.7
71.01381	10.0
72.17383	0.4
72.99306	0.6
73.02943	1.1
81.35377	0.4
83.01359	0.4
85.02966	1.3
87.00873	18.1
89.02448	0.6
89.30655	0.4
92.12403	0.3
93.03481	0.5
97.79377	0.4
99.00867	0.4
101.02458	0.8
113.02450	0.8
113.21528	0.4
115.00375	28.8
117.03465	5.9
119.05040	0.5
123.04477	0.6
127.05138	0.4
128.03571	0.5
131.04982	0.5
133.02991	0.5
149.02475	1.3
153.05637	0.9
159.04576	0.4
161.02446	7.6
161.03703	0.6
173.02502	0.5
174.03058	0.4
175.02486	59.7
175.03946	4.5
176.02766	0.5
177.01923	2.7
185.02461	0.8
191.03426	1.2
197.06100	0.4
203.03548	2.1
205.01428	3.4
223.07648	0.9
251.07152	0.8
266.05893	0.5
267.06561	1.4
279.06763	0.8
281.04556	2.5
282.14502	0.4
293.04565	0.9
294.05383	1.7
295.06110	10.4
296.06393	0.6
297.07700	0.7
305.04526	1.0
307.06036	0.6
323.05585	33.0
324.05856	0.8
325.06888	0.4
326.04196	0.4
337.07220	1.5
337.44098	0.4
353.06757	3.1
367.04471	1.3
367.08444	0.4
431.10077	0.5
443.09796	100.0
444.10242	5.1
471.09363	1.3
487.08783	1.3
501.10281	5.2
502.10828	0.5
601.12262	0.7
619.13202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.22063	1.2
99.16714	1.1
101.45238	1.1
125.85434	1.3
155.26993	1.3
218.63553	1.2
272.75504	1.4
401.13931	2.6
415.15735	3.5
416.16461	16.1
416.27838	1.4
417.16742	1.6
430.17780	3.3
431.18567	2.0
434.17349	1.9
441.23917	1.2
444.15829	2.8
458.17407	1.5
459.18253	100.0
460.18628	9.6
473.19791	13.3
474.20511	7.7
503.16815	1.7
517.18304	1.9
518.12061	2.5
518.19543	40.7
519.19604	3.6
532.21222	5.0
533.21918	54.2
534.22260	4.4
587.23358	3.5
619.25580	50.1
620.25525	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	619.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87914	1.1
56.59610	1.3
57.03444	17.6
57.97610	1.3
59.01074	1.8
59.01377	35.9
61.98826	4.8
63.06851	1.1
71.01382	17.0
71.17989	1.3
73.02941	5.0
83.01364	2.5
85.02964	5.9
87.00880	1.8
89.02441	10.9
94.27763	1.4
99.00897	1.9
99.04532	4.4
101.02439	17.3
104.47179	1.3
113.02448	5.5
116.92869	1.7
119.03477	3.8
125.02460	2.0
125.54121	1.3
159.00583	1.4
163.26302	1.7
295.22809	18.4
297.24380	3.8
313.23877	8.2
386.30469	1.3
457.28015	5.4
475.29105	100.0
476.29547	5.2
517.30133	53.9
517.37909	2.7
518.30377	3.6
557.33405	12.0
619.33350	15.9
620.32275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45719	4.5
59.01379	100.0
71.01370	12.7
89.02454	12.6
96.96011	31.8
101.02482	8.9
103.01504	64.4
119.03476	6.0
148.10167	6.0
152.99554	8.8
180.65228	5.4
337.56546	4.5
438.36063	7.6
439.36127	6.4
445.03802	5.9
569.23914	5.2
619.41998	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	619.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.10650	17.2
75.00878	3.5
78.95918	8.6
79.74435	2.3
83.71483	2.1
96.96008	33.6
103.00394	5.5
103.01494	85.4
124.00148	7.9
133.60973	2.4
152.99529	5.6
164.01778	2.6
218.81009	2.7
279.23370	2.8
603.03107	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	620.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28910	0.8
59.01381	100.0
61.98825	1.9
71.43748	1.0
80.92487	0.8
102.95676	1.3
103.01501	98.6
106.93607	1.2
189.60864	1.0
277.21799	2.2
291.19608	1.4
338.30728	0.9
427.56479	1.0
514.03754	1.0
646.74030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77345	1.0
51.01031	1.0
56.72234	1.1
59.01379	100.0
64.41179	1.1
69.25422	3.6
69.25814	2.0
73.63287	1.2
86.79717	1.0
102.95676	3.1
103.01495	90.7
136.44962	1.1
147.39478	1.2
159.96893	1.1
162.45132	1.1
190.14565	1.1
254.45178	1.3
255.31551	1.4
279.23355	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	622.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33374	0.7
50.36517	0.7
59.01377	100.0
60.01685	0.7
64.42976	0.7
67.87654	0.8
70.36877	1.2
70.37212	1.3
75.00852	0.8
77.94272	0.7
102.95707	1.3
103.01495	86.2
137.00804	0.7
151.01457	0.7
248.90598	0.8
279.23465	1.0
329.83704	0.9
388.23190	0.7
469.48615	0.9
504.31226	1.3
519.44354	0.8
540.09625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1616
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
57.46947	1.1
59.01371	2.5
76.72332	1.2
83.01414	1.2
83.05016	2.5
98.22443	2.0
107.01366	1.5
121.01838	1.2
138.73650	1.2
151.00366	4.5
165.05545	1.6
183.04480	1.4
199.03979	5.2
215.03481	2.1
225.15973	2.1
227.03502	4.0
242.02232	2.6
243.02963	30.8
244.03600	1.7
255.02972	17.4
257.04590	3.8
270.01712	3.7
270.99515	2.4
271.02472	47.3
272.03098	3.9
285.04065	6.6
286.04700	1.9
287.05545	2.8
298.64587	1.3
299.01971	44.1
300.02710	40.5
301.03107	1.6
314.04321	40.1
315.05096	100.0
316.05374	4.6
351.42200	1.2
556.32202	1.4
578.39044	2.0
623.16150	78.8
623.41357	3.4
624.15973	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	625.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98811	9.0
67.54124	7.3
69.23128	37.1
78.91057	6.6
103.00379	9.6
103.01496	97.8
221.85583	5.8
363.06192	6.5
454.45819	6.3
543.18469	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	56.3
58.00578	2.4
59.01377	94.7
69.11695	13.4
71.01379	49.1
73.02945	13.0
75.00843	1.9
83.01400	6.5
85.02955	15.6
87.00863	4.7
89.02442	54.0
95.01383	6.2
97.02896	1.9
98.22668	3.6
99.04523	23.8
99.12655	1.8
101.02438	44.0
113.02444	32.2
114.37084	1.7
116.92854	2.5
119.03507	21.3
121.95547	1.8
123.04481	4.9
125.02457	16.7
143.03502	4.1
161.04573	7.8
168.06696	2.0
179.05653	10.7
209.11830	11.2
223.06155	2.3
227.12862	2.7
235.08278	1.7
397.13239	5.1
415.14624	1.8
463.21823	44.6
464.21713	3.0
481.22861	100.0
482.23090	6.4
523.23737	11.6
625.27106	52.5
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
50.48368	0.4
55.01876	0.7
56.82074	0.4
57.03441	0.9
57.21821	0.4
59.01379	27.0
61.98812	1.4
69.03452	1.4
69.26742	1.0
69.27146	1.6
71.01381	15.4
72.99306	0.9
73.02940	2.9
81.03453	0.4
83.01387	1.6
85.02962	3.8
87.00878	3.0
89.02444	14.3
93.11270	0.4
97.02940	2.4
99.00864	0.7
101.02437	11.0
109.02996	0.5
111.08142	1.1
113.02445	5.4
119.03505	3.4
123.36901	0.4
125.02448	3.3
127.24729	0.4
131.03487	0.7
133.05032	0.5
141.01900	0.5
143.03485	1.5
149.04575	0.6
161.04568	2.0
165.12856	9.1
174.01640	0.5
179.05589	0.9
183.13896	66.8
184.14238	2.3
207.23480	0.4
209.11789	0.7
221.06621	1.3
227.12875	7.7
235.08241	2.1
246.04419	0.4
253.09215	1.1
265.82761	0.4
303.88571	0.4
325.29285	0.6
346.36792	0.4
397.13525	5.4
415.14453	2.9
560.53571	0.5
607.26361	0.7
625.27094	100.0
626.27399	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03437	1.3
59.01379	25.9
60.99280	0.4
61.98827	5.0
67.69106	0.4
69.03465	0.7
69.32577	0.7
69.32989	1.3
71.01384	14.1
73.02949	2.8
81.03465	0.4
83.01379	1.5
83.05013	0.6
85.02953	4.4
87.00874	3.0
87.04523	0.5
88.98800	0.4
89.02447	11.7
90.31559	0.5
95.01379	0.9
97.02954	1.6
98.22581	0.9
99.00890	1.1
99.04520	0.4
101.02446	12.2
103.01427	0.5
108.74178	0.4
109.24305	0.4
111.08160	0.7
113.02451	5.3
119.03522	2.9
121.02908	0.4
125.02450	2.7
131.03490	0.5
141.01961	0.4
143.03476	1.4
160.38509	0.5
161.04559	2.3
165.12836	11.2
179.05594	1.2
183.13896	71.4
184.14250	1.6
209.11800	1.0
221.06476	0.5
221.19156	1.1
227.12878	9.2
235.08258	1.6
253.09300	1.3
265.18124	0.8
283.18912	0.8
301.20108	1.8
397.13556	4.5
415.14243	2.7
439.49643	0.4
445.24387	1.2
463.25528	17.9
464.25833	0.8
505.26306	0.9
537.32690	1.0
607.25696	0.5
625.27026	100.0
626.27423	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	625.3572
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
54.60193	0.6
57.03445	0.6
59.01392	4.2
61.98825	7.5
63.57103	0.6
66.03490	0.8
68.05047	1.0
69.41778	1.6
69.42174	1.7
71.01389	3.8
73.02932	0.9
74.02480	1.2
82.06612	2.0
83.02546	1.0
84.04539	0.8
88.79575	0.6
89.02460	1.0
94.98082	0.9
96.95974	1.3
99.00847	0.8
100.04039	1.3
101.02443	1.5
101.07188	0.7
110.06087	0.9
113.07214	18.1
114.05605	1.6
115.08783	1.1
116.07155	1.5
116.92813	0.7
123.03322	0.7
125.07211	2.0
127.05132	2.8
128.03493	1.8
129.10342	1.7
130.08748	35.0
136.11302	1.4
137.07242	1.1
140.07179	8.3
140.08212	1.0
143.11850	1.4
145.06194	1.3
152.10797	1.0
153.06586	1.9
154.09764	0.8
155.08226	2.0
166.12317	0.7
168.09044	2.5
169.09769	1.0
170.09366	3.3
171.07800	1.0
179.11938	1.0
180.08807	1.3
180.10304	16.2
180.11865	1.2
181.09862	0.8
183.15062	1.1
185.16595	10.2
197.12979	3.5
205.04916	0.8
207.15002	0.8
208.14639	1.5
209.12975	2.3
211.14484	2.3
222.12482	2.3
223.10933	4.2
226.15634	3.2
229.15564	5.3
240.13438	1.7
240.17073	0.9
241.11928	2.5
242.18692	4.2
265.18069	0.8
268.16183	0.7
269.04620	0.7
301.20218	1.4
319.17963	1.3
337.18811	1.7
339.24026	3.8
355.19888	7.6
383.07700	0.9
383.23001	9.8
450.26993	0.7
463.25479	9.4
494.26178	2.6
496.31219	1.4
505.11835	0.7
505.26257	0.9
555.04199	0.7
607.34552	5.6
625.35663	100.0
626.26410	1.2
626.35864	7.4
648.84076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76426	2.3
94.38525	2.9
98.21760	4.6
111.53470	2.7
138.11125	2.6
162.45403	2.7
166.56664	3.2
202.47824	3.0
220.39432	3.2
296.06589	5.5
297.07684	11.9
325.07016	3.5
353.06592	26.9
365.06686	4.8
383.07648	24.6
384.07874	3.7
432.11224	3.5
443.09839	6.8
526.20984	3.2
563.14075	100.0
564.14301	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	626.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18590	10.5
55.22968	10.8
69.16583	76.7
97.44602	12.8
98.22645	24.7
114.32142	12.5
184.46017	12.1
191.03343	12.2
297.07611	17.9
302.56967	12.4
345.69540	12.5
353.06696	25.6
383.07690	29.1
386.37448	12.1
563.14191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71344	2.6
59.01376	68.6
67.19897	2.8
69.07122	13.3
69.07525	5.4
69.07858	2.2
71.01361	5.7
73.02930	3.1
80.77269	2.5
85.02953	3.6
88.13764	2.3
90.91351	2.4
93.56554	2.9
101.02464	2.6
108.02144	9.6
113.02503	3.4
121.02967	23.6
122.03772	3.8
139.02505	2.5
143.24071	2.9
161.04543	9.4
173.60608	2.5
236.54477	2.6
238.01564	2.4
251.14697	2.6
275.07016	2.8
283.59259	2.7
343.25137	25.8
344.25867	23.2
362.26953	26.8
403.27219	25.7
404.28015	100.0
405.28140	3.7
446.29169	5.6
506.31384	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	626.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71216	3.0
59.01384	29.6
61.98815	4.1
65.14336	2.8
69.49036	7.4
69.49425	7.0
71.01363	15.0
89.02441	25.3
101.02437	12.2
113.02450	9.1
119.03474	8.9
179.05606	7.1
369.43033	3.0
410.32779	11.4
590.39038	100.0
591.39392	10.3
626.36536	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28937	0.4
57.03446	3.1
59.01370	1.0
60.80603	0.4
61.98823	1.2
63.82391	0.4
67.27329	0.4
68.99815	0.5
71.01360	0.6
71.05009	1.2
71.44283	0.6
74.02462	0.5
78.91852	0.7
81.03456	17.0
83.01376	3.0
84.02177	0.6
86.00813	0.4
93.03449	0.6
95.01379	0.7
95.05029	8.6
96.96008	0.6
97.02959	3.8
99.04517	14.9
104.03539	0.7
105.03423	0.7
107.05000	0.4
109.02952	1.1
111.04510	1.8
121.02966	0.5
123.04523	7.6
125.02444	35.8
126.02790	0.7
133.02960	12.7
137.02437	5.7
139.04008	3.5
149.02431	0.8
151.03995	1.0
167.03490	100.0
168.03813	1.6
177.01942	4.4
179.03482	2.0
193.01398	0.8
197.04535	21.6
198.04843	0.6
200.54648	0.4
207.73114	0.5
209.04509	2.2
225.04108	0.6
227.05646	0.7
235.02516	0.5
251.05811	0.5
269.06757	2.1
287.07703	11.3
339.07239	3.4
345.06064	1.9
407.11526	0.5
465.10297	2.0
489.10434	0.7
507.11420	36.3
508.11713	2.1
537.12439	8.2
549.12286	0.6
609.14880	1.4
627.15674	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	627.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.5
57.92167	1.6
59.01376	74.6
61.98817	5.3
69.03445	1.9
69.41637	7.8
69.67194	1.6
71.01391	11.3
73.02943	6.6
82.95361	1.6
82.98020	1.4
83.01373	7.6
83.05006	1.7
85.02954	4.4
87.00880	5.4
89.02443	13.6
95.01384	1.7
96.00909	1.5
96.95988	5.4
97.06599	3.1
98.21880	3.5
99.04498	2.7
101.02463	13.1
107.05017	8.0
108.86221	1.5
111.86494	1.6
113.02447	9.1
119.03506	2.5
119.18721	1.8
125.02437	3.9
128.03539	7.3
130.08685	4.0
133.02928	1.8
135.04471	2.6
141.62900	1.8
144.85788	1.6
161.04645	2.5
161.09721	6.6
161.13382	4.0
163.11272	4.6
174.06886	1.5
179.05557	2.3
187.11313	13.0
189.09283	3.1
203.10797	2.7
205.12355	6.3
207.10268	11.3
210.58786	1.7
223.13364	55.7
223.15543	2.9
224.13747	2.6
249.11258	6.9
267.12372	100.0
268.12680	4.2
270.06491	1.7
291.12253	3.8
309.13425	11.3
339.14471	2.6
369.15665	8.2
411.16470	3.3
429.17606	94.1
430.17886	4.7
440.59760	1.8
539.51654	1.7
583.31433	4.7
597.11572	1.8
627.20044	2.2
627.33698	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	627.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.5
59.01377	75.9
68.80406	1.6
69.44061	5.3
71.01372	9.6
73.02939	2.2
83.01366	3.2
85.47015	1.4
87.00888	3.2
89.02444	8.4
95.82745	1.5
97.06564	1.7
101.02435	6.6
104.10305	1.4
107.05016	4.6
113.02436	4.0
119.03475	2.8
125.02344	2.9
129.29691	1.5
143.03502	1.9
161.04562	3.0
161.09700	5.8
161.13278	2.7
163.11278	1.9
179.05591	4.7
185.13449	1.6
187.11237	6.5
189.09158	2.2
203.10822	2.1
205.12268	3.3
207.10214	5.4
207.39119	1.9
223.13383	44.5
229.12192	3.0
229.14433	38.5
231.10146	1.9
249.11324	4.9
267.12369	100.0
268.12729	3.0
309.13419	5.9
327.05042	1.9
340.07379	1.5
369.15475	2.6
397.13599	2.2
411.16629	2.6
415.14462	6.4
429.17630	88.9
430.18008	6.2
465.27094	2.3
574.26825	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	627.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01378	56.9
59.43996	0.8
61.98820	0.8
65.36910	0.9
67.55804	0.8
71.01376	4.5
71.45341	0.8
73.02933	2.3
74.96696	0.9
75.00888	0.9
83.01391	1.7
83.05051	1.1
85.02943	1.9
87.00893	1.8
89.02448	4.6
96.95992	1.5
97.06617	1.4
101.02434	3.1
107.05024	3.3
113.02435	3.2
116.92844	1.4
119.03483	1.6
137.05983	0.9
161.09740	2.8
161.13354	1.2
163.11261	1.5
179.05571	2.3
187.11197	3.0
189.09195	0.9
205.12309	4.0
207.10278	3.4
223.13377	28.0
224.13634	0.9
229.14569	1.4
241.10634	0.9
249.11383	3.1
252.51584	0.8
260.26266	0.9
267.12372	100.0
268.12698	3.8
309.13397	1.3
369.15466	2.5
429.17603	49.2
430.18063	3.1
465.27249	2.0
627.20837	1.8
627.33301	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	627.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75148	1.1
57.03446	3.5
58.38510	1.0
58.97083	1.3
59.01380	67.9
61.98841	1.5
62.58767	1.2
63.71198	1.1
71.01385	7.3
73.02943	2.6
83.01389	3.4
85.03015	1.4
87.00882	4.0
88.02154	1.3
89.02446	9.2
94.65166	1.1
97.06591	3.2
101.02457	3.8
107.05028	5.4
113.02441	4.3
119.03501	3.3
121.19084	1.1
135.04506	1.4
143.03497	1.2
159.08098	1.3
161.04517	2.3
161.09735	4.1
161.13351	3.4
163.11275	2.0
164.38142	1.3
179.05588	3.4
179.60709	1.4
187.11322	7.5
189.09265	1.9
205.12244	3.0
207.10254	7.0
223.13397	44.5
224.13759	1.8
249.11298	4.3
257.94983	1.3
267.12375	100.0
268.12701	4.0
309.13428	3.7
318.91907	1.2
336.20386	1.3
349.58231	1.3
369.15302	3.2
411.16711	2.6
429.17633	94.4
430.18088	6.6
494.90063	1.3
540.26617	2.0
627.20685	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.36228	0.6
58.85898	0.9
66.34995	0.7
69.24145	4.1
73.02951	1.2
78.20763	0.7
80.27018	0.7
125.29604	0.8
199.68700	0.7
202.28572	0.8
215.75243	0.7
293.84430	0.8
369.06665	0.7
438.13348	0.8
451.14212	1.4
452.14929	5.4
465.16238	0.8
469.11917	0.9
470.16986	0.7
478.10748	0.7
480.14163	1.1
481.15073	8.8
482.15338	0.9
493.15250	1.3
494.16037	2.1
495.16806	18.1
496.17090	2.2
507.17044	1.4
508.17691	3.8
509.18311	1.8
521.14807	1.0
522.15759	0.8
523.15454	1.8
533.17804	1.3
535.16290	2.8
536.16687	3.4
540.16809	3.9
551.19409	41.1
552.19995	4.9
554.17993	2.0
555.19153	1.2
572.15558	1.4
586.16974	1.7
595.18170	7.7
627.20990	100.0
628.11694	1.1
628.21381	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57331	5.4
59.01379	74.1
65.06020	5.8
72.88609	5.5
107.73363	5.4
122.03746	8.0
129.04530	6.7
149.02440	29.2
150.03223	65.6
161.02435	9.8
164.04860	7.6
165.05577	90.1
176.04808	7.1
179.03496	19.2
179.85632	4.8
180.04317	6.8
184.32919	6.5
194.05917	11.8
195.06604	100.0
209.08212	50.5
327.53735	5.5
357.13437	55.8
405.15546	42.0
564.29535	6.9
565.09052	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.6
59.01359	1.8
61.98829	11.1
66.47942	0.5
70.02985	1.2
71.01394	1.1
73.02964	0.4
74.02443	0.5
74.42840	0.4
75.64434	0.4
78.09604	0.5
82.02984	9.5
82.06637	0.7
84.04539	1.9
85.32027	0.4
87.00912	0.5
88.04020	1.0
88.98809	0.8
89.02423	0.9
96.00906	0.9
96.95995	1.0
99.04520	0.5
99.70954	0.4
101.02419	0.8
109.04110	0.7
110.02440	0.7
112.04036	2.9
113.03465	0.5
114.09183	0.8
116.07163	0.4
125.02431	1.0
127.05151	2.0
130.08720	4.4
133.02916	0.6
141.10330	6.7
149.02402	0.5
168.09038	0.5
169.09834	1.5
169.13472	0.7
197.12944	37.6
198.13226	0.6
223.06039	1.0
225.03836	0.5
225.83241	0.5
238.04126	0.5
241.11920	100.0
242.12280	2.7
243.01268	0.4
405.15182	0.7
465.10428	0.5
465.19202	0.8
480.20670	0.5
545.22192	0.6
567.20459	1.1
627.30933	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	628.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83555	0.7
57.03454	0.6
58.02720	0.7
58.02977	7.8
59.01354	1.3
61.98793	1.3
66.03487	0.9
69.17611	1.8
69.17995	1.6
80.05040	1.6
80.91684	0.7
82.06613	2.8
82.95376	1.0
83.36944	0.6
84.08177	1.5
85.04064	1.4
91.05538	0.9
99.04524	1.0
113.07212	22.4
115.08778	1.5
116.05061	5.3
130.08737	61.0
131.05028	5.5
131.09094	1.2
138.09285	0.9
140.07164	3.8
144.13460	0.6
170.09749	1.2
191.11935	0.6
194.11859	3.9
199.12386	5.7
209.16568	3.3
210.16089	1.4
211.14494	1.3
216.13931	25.9
217.14171	0.9
225.10298	1.4
228.17097	3.1
243.11354	6.5
252.17093	2.6
253.15540	1.8
270.18225	2.1
271.16541	1.5
277.15460	1.0
330.21887	1.1
361.72253	0.7
374.20813	15.8
374.25571	1.1
375.21228	1.2
411.27530	0.7
497.27368	3.2
557.17059	0.7
628.37140	100.0
629.28375	0.5
629.37585	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	629.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04827	1.0
59.01381	10.3
61.98830	7.6
63.30457	0.9
67.98528	1.0
71.01382	5.2
71.44694	1.2
73.02947	1.6
74.02486	2.3
82.03989	1.1
82.06627	4.3
82.95416	3.7
85.02969	1.5
88.04053	1.3
88.98809	1.3
89.02436	1.5
90.31072	0.9
96.00901	1.1
96.96001	1.7
101.02410	2.7
104.66316	0.9
108.02161	1.1
113.02486	2.1
119.01373	1.3
127.05152	2.5
128.03564	1.6
129.10301	3.4
130.08734	35.3
143.11902	4.8
147.00826	1.3
148.60413	1.1
149.02451	5.6
151.00415	1.7
164.04782	6.0
165.01866	2.1
166.02750	2.9
167.65283	1.1
175.00365	13.9
179.03432	1.3
179.07106	2.1
181.05070	7.0
182.15495	2.0
190.02725	44.7
191.03120	1.2
195.06561	1.2
197.12924	1.2
199.18155	17.7
205.05054	76.8
206.05609	1.3
208.03725	1.9
217.66714	1.0
222.45564	1.1
223.06114	21.2
225.07793	1.9
229.11894	6.2
232.03772	1.3
234.34952	1.0
241.11906	3.7
243.17128	100.0
244.17282	1.4
247.06119	6.2
255.12425	1.2
265.07007	1.8
273.14536	3.6
308.95370	1.1
325.09177	2.1
370.12653	1.2
385.11389	44.1
386.11685	1.5
467.15332	2.6
579.02887	1.2
629.32227	8.2
646.52850	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	630.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
74.38992	0.4
78.33237	0.4
80.26470	0.4
98.21849	0.8
106.58749	0.4
124.56272	0.4
189.52321	0.4
299.52228	0.4
408.27301	0.9
500.12418	0.4
518.54382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.02973	5.2
59.01382	5.3
61.98831	17.4
69.21683	5.1
71.01375	2.1
74.02475	11.3
82.02998	1.1
82.65507	0.8
86.02472	2.7
86.99105	1.1
87.05650	1.6
89.02468	1.0
92.39726	1.0
96.96017	1.2
97.04115	1.6
99.04530	1.2
99.05640	7.3
101.02438	1.6
102.05602	1.1
109.04086	1.5
109.32941	1.0
116.92845	1.6
123.05618	1.1
127.05141	1.7
128.03543	22.5
135.05649	3.2
141.06714	2.7
143.04620	33.8
145.06226	1.3
146.04587	3.4
153.06699	2.4
160.00737	8.3
167.08156	1.5
177.03384	2.0
179.04642	7.4
190.02721	2.5
197.05737	1.2
205.05128	2.5
210.08875	6.4
220.77809	1.0
242.07648	1.9
254.07753	6.5
260.66449	1.1
272.08917	16.1
272.38858	1.2
282.82376	1.0
288.06607	6.2
306.07642	100.0
307.07849	3.3
432.24539	1.2
458.72519	1.3
593.26050	1.8
594.26172	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	631.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
57.12887	0.4
57.69947	0.4
59.01379	4.0
61.98819	2.3
66.99125	0.4
69.53653	1.9
71.01385	1.6
73.02928	0.8
75.00877	0.9
77.54212	0.4
77.82728	0.4
79.71997	0.4
82.95416	1.1
89.02435	1.9
96.95998	5.9
98.21976	0.9
98.95588	2.8
99.00854	0.6
99.04525	2.0
99.92580	13.2
100.93356	4.5
101.02425	1.3
113.02427	1.0
114.94930	1.9
115.92093	5.4
116.92860	100.0
117.92903	2.7
128.03539	0.9
135.04495	0.6
137.02470	0.8
137.09726	1.2
138.98579	1.0
139.95708	0.9
140.96503	1.1
146.03760	2.3
150.03223	1.3
151.00291	0.4
154.79852	0.5
156.95927	1.2
158.93901	1.6
161.04599	1.0
161.06039	1.2
164.04787	2.1
165.01917	4.5
165.05582	0.9
166.02667	1.0
179.03482	1.2
179.07108	4.7
180.04291	3.5
181.05098	2.1
182.97585	3.2
183.94704	1.3
184.95586	0.6
192.65982	0.5
195.06577	4.7
209.96242	0.5
210.05342	0.5
225.07718	4.5
226.96516	9.8
239.12878	1.4
247.09799	0.5
269.13962	0.6
357.13361	0.8
387.14139	0.6
403.13824	1.4
435.24371	0.5
451.16071	0.9
469.11685	0.9
583.21674	0.8
592.87408	0.5
595.14771	2.3
631.16974	36.8
632.17236	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	631.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.96657	0.3
59.01380	5.3
61.98838	0.4
69.09870	0.9
69.10275	1.4
71.01374	1.0
72.99300	0.4
73.02941	4.7
74.47517	0.3
75.00871	15.1
79.86337	0.3
89.02445	1.0
99.00883	8.4
99.92586	11.4
101.02444	0.4
102.12150	0.3
115.04006	0.4
115.99922	0.6
116.03506	0.9
116.92859	100.0
116.97248	7.8
116.98031	0.7
117.01938	19.3
117.05566	1.8
117.92854	2.7
119.03499	0.4
185.74457	0.4
277.21725	0.6
380.14807	0.4
549.92444	0.4
588.37225	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	631.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.66506	0.5
57.44060	0.4
59.01377	5.1
61.72385	0.4
71.01366	0.6
73.02943	5.3
75.00869	20.0
89.02449	0.9
92.66529	0.4
94.33878	0.5
99.00875	8.8
99.92572	10.0
100.92612	0.7
101.20746	0.5
114.62219	0.5
114.93459	0.7
115.04025	0.5
115.99891	1.1
116.03545	1.0
116.92856	100.0
116.97244	10.1
117.01938	23.1
117.05574	2.4
117.92844	3.0
146.08708	0.5
193.33250	0.4
199.42509	0.5
243.66089	0.5
277.21750	1.7
309.13217	0.6
411.61755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
69.38259	0.5
69.85238	0.8
69.85610	1.0
75.00878	1.8
78.95914	1.3
84.52910	0.4
88.64056	0.4
92.47237	0.5
99.00879	0.7
99.92582	10.3
100.92607	0.5
116.92855	100.0
116.97244	7.9
117.01923	2.4
117.92867	2.1
152.99661	0.7
180.67404	0.5
189.37288	0.5
240.88589	0.4
253.68237	0.5
279.23297	2.0
368.46146	0.5
507.27255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
61.98806	1.0
71.47239	0.6
75.79576	0.6
103.06843	0.7
105.03441	1.0
127.58370	0.8
132.02176	2.6
133.02951	36.2
134.03714	0.7
135.04527	13.5
161.02441	100.0
162.02800	2.1
175.03972	0.9
177.05466	1.0
179.03494	24.2
180.03825	1.0
203.03545	4.2
221.04559	1.2
239.55144	0.7
291.19461	0.9
309.20673	2.6
368.08105	0.7
399.23151	0.7
466.65057	0.7
471.23773	0.9
493.10645	0.7
633.29095	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	633.324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78359	1.1
59.01379	100.0
61.98839	2.1
63.38341	1.0
68.50560	1.1
69.45882	5.2
72.76102	1.0
75.00891	2.8
75.68431	1.2
85.02967	2.6
91.35055	1.2
96.96038	1.4
98.02485	1.5
103.00381	4.2
103.01498	76.5
105.01919	1.6
113.02500	1.6
127.33353	1.2
161.02431	2.1
179.91380	1.1
195.29242	1.0
392.07513	1.2
633.39697	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	637.2716
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.03445	58.9
59.01380	100.0
61.98832	15.1
66.59304	2.1
71.01385	57.7
72.99333	2.9
73.02944	21.9
75.12420	2.1
79.95732	2.7
81.03452	2.1
82.95432	7.7
83.01396	6.6
84.95131	3.9
85.02940	13.6
87.00890	3.5
88.98820	6.8
89.02441	50.3
95.01389	3.2
96.96001	4.4
97.06577	3.4
98.21878	9.5
99.04518	39.0
101.02448	46.6
105.01942	2.8
105.52458	2.0
108.02182	2.2
113.02447	33.4
114.05559	3.8
119.03497	25.9
120.01273	3.4
123.04501	4.1
125.02439	23.0
125.06131	3.1
134.98779	2.3
137.09734	3.2
143.03526	11.3
149.04532	4.6
161.04555	18.3
167.00185	2.1
179.05612	28.7
210.61926	2.1
230.34859	2.3
239.12950	6.4
240.13297	2.9
245.37894	2.4
269.04660	8.0
406.92795	3.7
417.58878	2.3
475.21872	16.5
493.23026	30.7
535.23932	6.0
576.71259	2.3
577.15399	4.8
593.36462	3.8
637.27008	62.7
638.28223	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	637.2718
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.94733	0.5
54.05959	0.4
55.01865	0.5
57.03453	2.8
59.01377	18.7
60.45213	0.5
61.98834	5.8
69.03428	0.6
69.18918	1.1
69.19322	2.0
71.01382	10.3
72.99284	1.1
73.02942	1.6
82.38852	0.5
82.95398	0.8
83.01360	1.4
83.05045	0.9
85.02940	2.0
87.00869	3.0
89.02439	8.8
90.02002	0.4
95.01397	0.9
96.95997	1.3
97.02928	1.3
98.22630	0.7
99.00881	1.3
99.04492	0.7
101.02435	8.3
113.02442	5.3
114.93459	0.6
116.92849	1.3
119.03503	2.6
125.02457	2.4
130.08670	1.3
134.50282	0.5
143.03456	0.8
161.04541	2.0
177.12830	5.5
179.05576	0.9
187.40822	0.5
195.13892	60.9
196.14217	1.8
221.06741	0.6
221.11685	0.7
235.08127	1.0
239.12880	6.7
253.09293	1.1
263.12799	0.5
299.10736	0.5
376.93478	0.5
385.04459	1.5
397.13480	4.6
415.14758	2.5
475.28168	1.7
493.30017	1.5
607.80737	0.5
615.30426	1.2
637.27002	100.0
638.27466	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	637.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27758	1.5
57.97548	2.0
59.01373	2.7
68.24263	1.6
68.67827	1.7
70.66644	2.6
71.01368	3.4
73.04057	4.7
74.02472	3.2
81.25325	1.5
82.02984	2.8
84.04528	2.4
95.86117	1.6
96.96018	2.7
96.97002	2.1
97.04073	1.7
99.01913	2.6
101.07211	2.9
109.04068	7.4
113.03577	2.6
115.00349	3.7
119.05027	13.8
123.05619	3.2
124.04034	4.8
125.03570	2.8
127.05140	30.3
128.03522	6.0
133.01442	12.6
133.02933	2.9
135.04527	4.4
140.08310	9.2
141.06654	4.9
145.06198	20.9
151.08896	1.9
151.37915	1.6
158.09352	3.3
159.37047	1.5
161.02425	9.5
162.02863	2.5
162.05560	6.6
166.06219	11.9
167.04593	6.4
169.09822	5.5
181.09850	5.4
184.07262	13.1
193.05037	2.4
199.01881	3.8
200.13989	2.0
229.09634	2.2
236.13921	1.8
241.48933	1.6
253.16635	4.3
258.11151	2.1
269.12576	2.4
271.17563	4.4
273.08783	1.6
290.11435	6.3
293.12393	2.3
293.15805	2.4
297.15643	3.7
307.61728	1.8
308.12485	2.6
311.17145	2.4
313.34607	1.8
341.08636	3.3
342.09341	2.0
343.09476	3.0
439.23062	1.9
460.65036	1.7
461.20374	3.1
473.20435	6.4
589.26489	3.8
601.26971	2.4
607.27203	8.2
619.27094	20.7
620.27094	2.2
637.28351	100.0
638.28607	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	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98214	0.3
57.03447	9.2
59.01379	17.2
61.98843	0.5
71.01382	6.6
73.02944	8.0
83.01394	2.0
85.02973	1.6
89.02438	5.0
89.02937	0.4
97.02969	0.4
99.04526	5.3
101.02440	8.2
113.02455	3.9
118.44625	0.4
119.03489	2.5
123.04523	2.3
125.02442	2.6
131.03563	0.5
143.03471	0.9
153.05666	0.4
161.04547	2.5
179.05640	1.5
201.12885	1.1
203.05629	0.5
204.27661	0.4
263.07834	0.4
269.19089	4.3
287.20163	6.0
305.08762	5.1
305.18195	0.4
309.95120	0.4
313.18100	13.2
314.18494	1.0
323.09753	0.5
330.92169	0.4
331.19138	100.0
332.19473	4.7
345.20502	0.6
349.23962	0.3
368.01782	0.4
373.20239	2.6
381.16559	0.4
493.24429	23.3
494.24432	0.8
535.17419	0.4
535.25500	8.7
575.28558	1.8
637.28632	41.0
638.28943	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	638.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83868	2.8
60.24526	3.1
70.72728	4.4
86.76048	3.0
99.92590	100.0
100.92625	6.8
100.93354	5.4
115.92075	11.0
116.92919	4.7
137.64575	3.0
143.98859	2.8
183.41252	2.7
192.45647	2.8
248.96964	3.1
277.21680	11.8
360.14008	29.1
361.14630	7.3
393.13513	5.4
433.03818	3.9
506.85208	3.6
638.36310	45.8
639.36774	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	640.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.76717	0.6
79.72143	0.6
113.34554	0.7
162.83940	1.3
188.31152	0.7
260.95468	0.7
268.03809	3.3
269.04541	14.5
318.92435	0.8
577.15698	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	640.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.42149	0.9
74.05289	0.9
103.33766	0.9
162.83932	2.6
209.08206	1.8
268.03790	3.5
269.04517	15.7
274.41351	1.1
345.52524	1.0
362.22031	1.1
565.30676	1.1
577.15601	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	641.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
71.01373	7.4
71.05029	1.3
71.44793	1.1
72.99284	1.2
73.02927	2.0
80.06129	0.9
85.02964	1.7
87.00881	3.1
88.98806	2.1
89.02468	6.6
96.96012	1.1
97.02945	2.5
99.00883	14.1
101.02424	6.0
110.03734	1.2
113.02443	2.8
116.92886	1.0
119.03548	1.7
125.02439	1.3
125.09710	3.8
130.08737	1.2
145.08815	1.2
163.11250	5.3
165.51657	1.0
181.12347	13.0
199.13379	5.9
207.10242	19.8
221.06706	1.2
225.11322	34.5
230.44934	1.0
243.12358	23.4
266.73810	1.1
283.89536	1.0
307.13922	2.4
312.62766	1.1
479.21252	2.2
582.50885	1.1
641.26605	100.0
642.26990	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	641.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05657	0.6
57.03428	0.9
57.67901	0.6
59.01375	14.3
61.98825	2.6
69.31133	1.2
69.31480	3.0
71.01385	6.1
71.05022	1.5
73.02918	0.9
85.02937	1.5
87.00847	1.0
89.02447	3.9
96.00928	1.5
96.96008	5.1
97.02952	3.5
97.06583	1.6
99.00884	13.9
101.02451	5.3
110.03740	0.9
111.69633	0.7
113.02446	2.0
116.92840	1.6
119.03534	1.0
121.02944	0.8
123.08138	0.7
125.02495	1.0
125.09680	4.2
135.08141	0.8
142.02747	0.7
151.47430	0.6
161.04459	0.6
163.11282	7.2
163.46243	0.6
167.15216	0.6
173.76886	0.6
179.05586	0.7
181.12346	14.2
193.05045	0.6
199.13403	10.8
207.10266	25.3
215.66515	0.6
221.06741	0.8
222.38118	0.7
225.11317	40.7
226.11658	1.3
243.12369	29.8
244.00684	0.6
244.12625	0.7
317.16025	0.7
346.20480	0.7
397.13895	0.8
434.81198	0.7
479.21323	1.0
503.17136	0.7
641.26544	100.0
642.27100	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	641.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	21.6
59.01379	7.9
61.98827	6.4
70.68483	0.9
71.01376	2.0
73.02940	3.6
80.96494	1.0
81.03448	1.3
83.01373	1.2
89.02455	0.5
92.34460	0.5
94.08903	0.4
96.96104	0.5
99.04523	19.0
101.02446	8.8
113.02432	0.9
116.92879	0.8
119.03443	0.7
123.04521	1.3
125.02450	21.8
127.19939	0.4
129.58510	0.4
143.03477	1.4
161.04552	1.4
190.02731	0.5
303.30792	0.5
305.08765	4.4
307.40222	0.4
335.22263	100.0
336.22592	6.0
337.02023	0.5
349.23740	3.4
377.23318	1.4
497.27448	0.8
539.28851	0.7
597.32874	1.5
641.31677	17.3
642.31903	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	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94576	0.8
69.03462	4.1
69.32453	1.5
69.32844	2.1
78.15527	0.7
93.03493	1.0
93.39019	0.8
97.02951	24.5
98.21854	1.3
105.22578	0.8
112.32402	0.7
121.42716	0.8
125.06104	1.4
129.33742	0.7
178.02463	4.2
184.45566	0.7
191.03276	2.6
203.63261	0.9
203.65363	1.0
210.01555	2.4
211.13335	1.4
219.06383	3.8
233.11681	0.9
234.08749	1.0
261.11099	9.6
262.11847	90.6
263.12070	1.3
291.19574	3.9
294.10837	2.7
309.20691	9.9
331.18900	100.0
332.19424	4.6
459.11679	0.9
572.32324	2.0
641.38824	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	642.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.3
61.98822	1.2
63.25127	0.5
71.01373	1.2
73.04061	0.4
75.27649	0.4
83.01389	0.4
85.02984	0.4
96.00922	0.8
96.95970	0.8
98.21796	1.2
101.02411	0.5
109.02936	1.4
110.18628	0.4
116.07156	0.7
128.03566	0.7
130.08722	0.9
133.02954	4.7
134.03709	0.7
135.04504	1.3
149.02409	0.7
153.09213	1.4
161.02428	0.5
163.03998	0.6
175.04015	1.7
177.01878	1.3
177.03342	1.2
179.03419	0.5
191.03497	0.6
191.10760	1.1
201.01816	0.9
203.03424	1.4
213.05550	0.5
225.05432	0.5
227.03532	0.5
229.04958	0.6
233.04590	0.8
235.09708	0.5
241.11848	1.8
245.04645	0.6
248.45970	0.5
255.12379	6.4
256.12744	2.3
267.06549	0.5
283.06046	0.9
286.17749	0.5
295.06268	0.9
297.04031	1.6
298.04807	5.6
299.05563	2.3
309.04123	0.9
310.10535	1.1
311.05569	5.8
312.03000	0.6
312.06345	6.0
313.07172	6.7
323.05505	1.2
325.07239	1.0
327.05078	3.9
339.05051	8.0
340.05539	0.9
341.06622	3.7
351.04944	1.0
353.06448	2.5
357.05960	1.2
367.04660	1.1
369.06122	34.1
370.06540	1.4
381.06149	3.6
383.07687	1.2
399.07187	28.7
400.07495	1.7
411.07022	3.9
413.08926	0.8
420.23804	0.8
423.07141	0.6
429.08197	6.7
435.07214	0.6
441.08344	2.5
453.08362	1.4
459.09442	3.0
471.09390	1.8
475.48419	0.5
489.10437	9.0
519.11383	1.2
561.12317	0.8
579.13501	100.0
580.13867	6.2
624.30170	0.7
640.33740	0.4
641.35291	1.1
642.36365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57475	0.3
55.47274	0.4
57.69740	0.4
59.01382	2.2
61.98807	1.5
68.24906	0.4
69.59840	0.7
69.60188	1.1
71.01380	0.7
74.02459	1.7
83.01389	0.4
88.04022	0.4
89.02422	0.4
95.00446	0.4
96.00883	0.4
96.96005	0.9
101.02430	0.7
108.02158	1.5
109.02940	1.2
113.07195	0.4
115.08736	1.0
116.07143	0.8
123.04500	0.4
125.02438	0.4
127.05116	1.3
128.03528	1.3
130.08734	0.7
131.04724	0.4
133.02951	5.6
134.03709	0.6
135.04520	0.8
137.06102	1.1
143.11862	0.7
147.04475	0.5
149.02367	0.5
149.06090	0.5
151.03932	0.6
153.09149	0.6
161.02460	0.8
161.06087	0.4
163.03981	0.6
165.01886	0.5
165.05399	0.4
165.10312	1.1
169.09784	0.5
175.03984	1.7
177.01892	1.4
177.03378	1.1
177.05498	0.6
183.11363	0.4
191.03479	1.0
197.12788	0.4
201.01868	0.8
203.03383	1.0
205.01408	0.5
205.05037	0.8
207.10144	0.6
208.10893	2.2
213.05582	0.7
225.11266	0.5
226.11984	1.4
227.03510	0.6
233.04530	0.6
235.02390	0.6
241.11858	1.0
245.04553	0.8
255.06532	0.5
255.12300	1.9
256.12854	0.4
267.06467	0.5
271.21350	1.0
283.06131	0.6
285.04135	0.7
295.06256	0.5
297.04025	2.3
298.04779	5.7
299.05652	2.6
305.10602	0.5
307.17593	0.7
309.04025	1.0
310.04849	0.6
311.05579	3.7
312.06390	6.3
313.07202	6.4
322.46402	0.4
323.05612	1.2
325.07135	1.0
327.05075	4.3
337.07013	0.6
338.03937	0.4
339.05023	9.1
340.05487	0.8
341.06607	4.9
344.05383	0.6
351.04959	0.9
353.06708	2.9
357.06110	1.1
360.21738	1.8
367.04214	0.5
369.06131	33.5
370.06454	1.6
370.28235	0.4
371.07693	1.1
378.22638	1.4
381.06122	4.5
383.07544	0.9
399.07190	28.7
400.07397	1.4
411.07285	4.8
413.08823	0.6
420.23889	6.0
423.07257	1.3
429.08191	7.0
435.07370	0.9
441.08194	2.1
453.08054	1.1
459.09332	3.6
471.09128	1.7
483.09589	0.4
489.04132	0.4
489.10342	9.6
501.10272	0.4
519.11426	1.4
561.12933	0.6
579.13501	100.0
580.13806	4.4
624.37079	1.5
641.26447	0.6
641.36884	0.4
642.28210	0.6
642.38348	10.2
660.60962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15024	62.8
61.98811	69.4
64.11237	60.8
70.65056	100.0
71.30085	52.7
142.52664	52.6
146.54518	56.7
157.39291	57.2
171.95386	50.7
513.98151	59.3
535.03845	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.0
67.20957	1.3
71.01376	9.5
73.77956	1.3
75.36234	1.2
75.56142	1.1
78.39679	0.9
78.95905	1.4
83.01342	1.7
85.02955	3.0
87.00871	6.0
89.02438	8.5
101.02455	4.8
113.02451	6.3
119.03481	2.2
120.04492	1.1
122.06126	3.2
124.07693	1.9
125.97623	1.2
128.03535	1.9
130.08760	6.8
132.04549	3.4
132.39630	1.1
136.07655	2.5
145.02965	1.5
200.09532	4.5
209.11696	1.3
213.10249	3.1
214.11089	2.2
215.11868	34.4
224.09583	1.8
226.11122	3.8
227.11885	12.6
228.12460	1.2
229.13475	15.0
239.11864	14.0
241.09801	2.9
255.11406	4.4
256.12186	8.5
257.12949	60.8
258.13208	3.3
259.10876	16.8
273.12366	1.6
283.10770	1.9
284.11966	1.4
286.17630	2.0
287.18085	1.5
297.12424	1.5
300.11139	5.3
301.11862	10.0
315.13416	2.0
316.18799	9.6
317.19058	5.2
318.14673	2.8
343.12933	3.2
419.18137	3.7
421.15894	2.6
451.12936	1.4
463.17206	38.5
464.17572	2.5
481.18253	100.0
482.18512	5.8
505.18246	4.0
523.19415	4.5
583.21338	1.7
625.22510	7.8
643.23389	37.1
643.34033	2.7
644.23785	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	643.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
71.01389	5.1
72.99283	1.0
78.95913	1.2
82.22372	0.8
83.58994	0.8
85.02909	0.9
87.00867	3.4
89.02444	2.6
96.95944	1.3
96.96931	1.7
101.02439	2.0
106.06587	1.3
113.02450	2.0
113.03595	1.1
119.03468	1.5
122.06120	1.9
124.07655	3.4
128.03500	1.2
132.04521	3.0
136.07652	2.5
154.01128	0.8
166.08725	0.9
200.09511	2.4
213.10284	3.3
214.11009	1.8
215.11885	17.1
226.11089	2.2
227.11874	7.5
228.12505	0.9
229.13419	13.6
239.11867	7.0
241.09918	1.2
242.05092	0.8
255.11356	2.8
256.12186	6.7
257.12970	51.5
259.10876	10.8
273.12454	1.4
283.10956	0.9
297.12375	1.5
300.11060	2.9
301.12057	6.3
303.04855	1.2
315.13486	2.6
343.12891	2.9
419.18076	2.5
463.10727	1.5
463.17212	24.7
464.17383	1.6
481.18259	100.0
482.18585	5.7
505.18182	3.2
523.19141	4.9
580.13971	4.9
633.16223	0.9
643.34534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64403	0.2
54.34148	0.2
55.39007	0.2
55.92352	0.2
59.01366	0.8
69.39866	0.9
71.01379	0.5
76.38652	0.2
78.95904	1.0
79.14742	0.2
82.06608	0.5
84.08169	0.3
89.02431	0.3
96.95969	0.4
96.96954	1.2
98.21803	0.3
101.02453	0.6
110.75400	0.3
112.07666	0.4
114.09222	0.6
118.69915	0.2
129.10338	2.3
130.08742	21.0
131.09088	0.4
133.02937	0.3
136.43759	0.2
165.51685	0.2
181.44034	0.2
182.15469	0.5
199.18155	12.5
215.11887	0.3
219.10272	0.3
229.13594	0.3
243.17120	100.0
244.17465	4.3
257.12952	0.8
283.43939	0.2
336.67432	0.2
383.07513	0.3
399.16412	0.6
443.09735	0.5
463.17157	0.4
481.18298	1.1
545.13123	0.3
643.11810	0.3
643.24017	0.6
643.34290	0.7
644.32477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21124	1.4
69.35806	7.7
74.99852	1.6
79.06390	1.4
93.68687	1.6
95.37279	1.5
96.96019	3.1
98.22620	3.5
103.72058	1.4
117.03477	6.3
119.44727	1.4
132.50804	1.4
135.04509	2.7
161.02484	2.3
177.05475	2.1
184.74010	1.6
215.03471	2.0
239.18530	1.6
282.05487	2.8
283.06125	4.1
295.05981	5.8
296.06870	7.3
297.07666	17.5
307.06094	2.9
311.05643	3.8
319.05963	2.6
323.05582	6.9
325.07242	5.8
328.05701	3.3
335.05664	3.0
337.07068	1.9
343.27206	2.1
345.03671	2.2
347.05362	3.1
353.06613	40.2
365.06564	5.7
375.04825	50.4
376.04993	2.3
383.07681	27.2
384.07944	2.6
393.04611	5.7
405.04745	10.5
413.08676	4.3
425.08759	3.6
441.53006	1.6
443.10007	7.4
455.09702	2.3
465.07858	15.6
473.10605	4.2
495.08774	11.8
563.14001	100.0
564.14313	5.6
585.11804	40.7
645.13434	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	645.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00290	0.8
69.55916	1.9
69.56302	1.6
93.03477	1.4
98.21921	1.8
99.04574	1.1
108.19566	0.8
108.39149	0.9
117.03441	5.0
119.05031	1.2
135.04546	1.3
145.02872	0.9
156.00725	0.9
161.02448	1.9
177.05615	1.3
179.54970	1.0
191.03525	1.5
235.02420	1.3
260.14938	1.0
281.04391	1.2
282.05264	2.5
283.06119	3.3
295.06042	5.3
296.06927	7.1
297.07663	14.6
307.06091	1.9
309.07529	1.1
311.05566	3.4
319.05698	2.7
323.05496	5.7
324.05994	1.3
325.07101	5.3
335.05460	2.1
337.07144	2.5
345.03729	3.3
347.05200	2.8
351.04535	1.4
353.06659	38.2
354.06943	3.2
356.05322	1.6
365.06555	4.7
375.04825	45.2
376.05121	3.2
381.05472	1.1
383.07684	28.1
384.08163	1.6
393.04626	5.1
395.07639	2.8
405.05273	6.3
407.07413	1.3
413.08722	4.9
417.04703	1.2
425.08847	2.4
443.09540	4.2
465.08127	9.4
473.10986	2.9
495.08881	11.2
503.11694	2.2
515.62103	0.9
563.14020	100.0
564.14355	8.8
585.11749	48.7
586.12006	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	645.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40397	0.5
57.03447	1.1
59.01378	2.5
61.98822	4.3
66.16328	0.5
67.01890	1.0
69.34400	1.8
71.01381	1.1
74.02451	0.5
89.02465	0.9
93.03469	0.7
96.96036	0.9
98.21849	0.8
99.04546	1.4
101.02450	1.6
105.01943	0.6
107.05058	0.6
109.02967	1.6
109.17297	0.5
113.02451	0.5
116.92879	0.6
125.02479	0.7
135.04515	0.7
136.01695	1.6
137.02454	19.6
138.03236	0.6
145.02957	4.9
147.00829	1.3
147.04550	2.8
148.01668	1.2
149.02435	0.7
151.00336	1.6
151.04018	3.3
152.00824	0.5
152.04781	1.0
153.05600	0.6
161.02448	0.8
162.03215	3.3
163.04033	6.9
164.01141	1.9
164.04771	1.2
165.01927	100.0
166.02570	4.7
166.06245	0.5
167.03165	0.7
173.02467	1.1
174.03247	2.4
175.03995	7.7
176.04706	2.1
177.01904	1.3
177.05605	5.2
179.03499	18.8
179.07062	1.2
180.04285	59.9
181.04955	5.4
182.05444	1.6
188.04829	3.7
189.05589	3.1
190.06357	11.8
191.03496	3.4
191.07121	5.7
192.04230	2.7
192.07648	0.5
193.05046	2.6
194.05840	8.1
195.03001	2.6
195.06621	71.1
196.06955	2.2
203.07114	1.6
204.07919	1.4
205.05159	0.6
205.08682	8.1
206.05855	2.3
207.06639	7.7
208.07404	8.7
209.08185	3.1
210.05331	11.1
210.92174	0.5
211.06038	1.4
221.08229	1.0
222.08960	7.0
225.07686	61.6
226.08098	2.3
315.08649	0.7
330.10867	0.7
344.12930	1.0
367.56503	0.6
374.13443	1.2
375.14435	1.5
387.14471	0.8
388.15033	1.4
389.16046	49.5
390.16312	3.6
401.15961	1.7
419.16928	1.5
447.25998	0.6
465.18512	0.9
507.16583	1.2
522.18634	0.8
522.42072	0.5
537.21259	0.8
549.21143	0.7
552.19501	1.0
567.22308	49.7
568.22552	4.5
579.21985	0.9
585.27393	1.5
589.17615	0.6
597.23199	2.5
615.24402	11.1
616.24969	0.7
645.26355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
83.48318	1.6
89.03981	2.3
98.21861	3.2
101.49490	1.5
113.36400	1.4
117.03503	9.5
134.03741	94.9
135.04156	2.6
149.06062	5.0
149.09853	1.7
178.02870	1.8
192.95850	4.4
193.05049	100.0
193.13889	1.5
194.05467	2.1
211.41238	1.6
451.32764	15.9
452.33112	2.0
466.25058	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	646.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.4
59.01381	8.8
67.56157	0.3
69.32314	1.3
71.01379	3.5
74.02460	1.0
82.02982	0.4
85.02945	0.6
86.02461	0.5
89.02438	2.6
99.05608	0.8
101.02443	1.9
105.03454	0.4
107.04948	0.3
107.64600	0.3
107.74467	0.3
109.01189	0.7
113.02436	0.8
119.03487	1.1
128.03548	2.8
131.01440	0.3
132.02153	0.5
133.02963	2.3
136.83641	0.3
137.00667	3.9
143.04622	3.8
160.00400	0.6
160.01666	7.0
161.02322	0.3
163.99304	0.6
165.00146	9.7
167.01706	3.9
167.93130	0.3
179.04611	0.6
192.99637	100.0
194.00027	2.6
204.96732	0.3
208.99162	0.3
210.08878	0.6
211.00781	1.8
254.07829	1.6
272.08881	8.4
306.07568	1.5
362.45963	0.3
373.05969	40.8
374.06299	1.1
440.11176	0.5
466.09341	1.2
484.10129	0.6
585.00555	0.4
623.31586	0.3
646.15613	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	646.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37034	0.2
55.20483	0.3
58.02954	0.4
59.01381	5.6
59.93080	0.3
70.15585	0.5
71.01379	3.0
74.02464	1.1
76.55216	0.3
76.84570	0.3
78.47008	0.3
83.22028	0.3
85.02938	0.5
86.02479	0.4
89.02439	1.9
96.96004	0.5
98.22545	0.4
99.05643	0.8
101.02452	1.4
105.03452	0.7
109.01167	1.0
113.02460	0.8
119.03497	0.7
123.21850	0.3
127.05142	0.4
128.03535	3.7
132.02168	0.6
133.02940	2.5
135.05721	0.3
137.00668	4.8
143.04619	3.8
146.04636	0.5
160.01665	7.7
161.02373	0.8
163.99408	0.4
165.00157	11.0
167.01723	5.4
179.04678	0.3
192.99637	100.0
193.99956	2.5
201.54440	0.3
210.08815	0.8
211.00681	2.0
254.07883	1.9
272.08893	9.2
306.07733	1.1
341.08765	0.3
373.05975	25.9
374.06268	0.9
440.10977	0.8
466.09369	1.2
484.10303	1.0
646.15540	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	647.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
59.01383	2.9
61.98822	3.5
65.59384	0.6
70.19830	1.4
71.01383	1.6
72.73473	0.5
85.02977	0.9
96.96044	0.9
99.04557	1.1
101.02462	0.9
108.02190	0.9
109.02922	3.0
116.92876	0.6
119.05027	0.8
121.02927	0.7
123.00879	0.8
124.01665	2.8
125.02452	3.9
133.01477	0.6
135.04573	1.1
136.01669	2.6
137.02440	28.5
138.03244	4.7
139.03999	4.3
147.00899	1.6
148.01714	1.1
149.02428	2.3
150.03291	0.8
151.00441	0.6
151.03990	6.0
152.04790	3.0
153.05574	1.2
161.02440	1.7
162.03226	2.3
163.04012	4.3
164.01152	2.4
164.04787	6.0
165.01926	100.0
166.02513	3.3
166.06380	0.8
175.04018	2.4
176.04813	3.2
177.01920	2.1
177.05557	4.9
179.02292	0.4
179.03497	19.0
179.07117	6.9
180.04277	61.0
180.34853	0.6
181.05049	8.1
191.03531	0.7
191.07132	2.4
192.04266	2.7
192.08002	0.6
193.05031	0.7
194.05838	7.8
195.02936	2.3
195.06615	80.9
196.06966	1.6
205.05087	0.8
207.06664	3.5
208.07358	0.9
209.08154	8.6
210.05315	10.7
211.06009	0.8
225.07674	54.2
226.07980	1.3
247.68913	0.6
260.26175	0.6
305.74203	0.6
359.11267	0.8
361.12857	2.8
375.14539	3.1
389.15823	1.5
391.13965	7.0
405.15561	1.6
406.16272	8.5
407.17017	3.6
419.16837	1.7
420.17664	1.5
421.18649	59.0
422.18756	2.5
449.27554	3.8
475.19641	1.7
553.20398	0.8
599.24963	40.6
600.24792	2.7
611.24866	1.9
629.25574	4.3
647.26917	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	649.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99374	2.7
57.03450	64.2
59.01379	100.0
61.85147	2.7
61.98837	27.3
62.22205	2.5
66.76134	2.9
67.00834	2.5
71.01385	12.8
71.44019	3.2
73.02976	5.0
76.57934	2.7
77.78441	2.9
84.23077	2.8
85.02953	10.0
89.02471	3.1
91.69531	2.8
93.19731	2.8
99.00863	5.0
99.04520	50.1
101.02445	31.9
103.00394	4.5
103.01501	35.5
105.74982	3.0
113.02466	10.7
122.28844	2.9
125.02445	26.1
131.18022	2.7
149.34990	2.9
161.02452	3.7
161.04555	4.7
177.01933	5.6
190.55563	3.4
281.08173	76.0
343.28586	5.4
487.32855	30.8
505.33990	58.7
547.34991	5.7
615.07886	3.4
649.38330	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23640	49.5
59.01382	100.0
61.98833	76.2
78.95892	77.2
93.10462	55.9
114.79569	49.6
132.96713	62.6
144.53438	45.0
277.21652	73.4
404.44675	56.1
494.27783	51.5
502.29285	73.0
502.59613	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46367	1.9
57.03436	5.4
57.71272	1.4
59.01376	87.7
61.98829	3.6
64.80219	1.6
66.77076	1.5
68.78544	1.7
71.01382	15.5
72.48409	1.6
73.02946	6.1
83.01393	6.7
85.02959	4.5
87.00872	3.8
88.26490	1.6
89.02440	12.6
95.01379	2.2
101.02431	12.4
107.05043	7.0
113.02438	15.6
116.92868	3.6
119.03510	7.1
125.06084	2.4
131.03444	1.9
135.04539	2.8
149.64194	1.6
156.63570	1.4
159.11917	1.8
161.04539	7.2
161.09746	5.3
161.13361	3.5
162.80019	1.7
163.11302	2.7
179.05606	3.4
187.11310	6.9
189.09196	3.0
203.10844	2.3
205.12366	4.1
207.10226	6.6
223.13377	79.0
224.13779	3.8
229.12515	2.0
249.11311	4.5
265.14404	4.1
267.09500	3.5
267.12366	58.7
268.12619	2.0
269.46832	1.8
291.12296	3.1
293.11880	1.6
293.15134	2.0
309.13489	2.6
328.01517	1.8
339.14462	2.7
346.90109	1.7
369.15588	4.8
378.43399	2.0
411.16443	2.6
429.17615	100.0
430.18143	5.5
443.09982	3.6
484.18250	1.7
607.15582	3.4
681.34119	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	651.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38380	4.2
57.03441	14.2
59.01381	100.0
61.98827	25.8
66.11481	4.2
69.55048	17.6
71.01389	30.0
71.77934	3.7
73.02937	11.4
74.94973	4.2
75.12370	3.8
79.55117	4.4
79.95799	4.1
83.01402	7.8
85.02927	7.1
87.00876	5.8
89.02441	25.7
95.01398	5.4
96.96010	26.1
98.21958	8.1
101.02431	27.6
104.04884	4.1
107.05005	5.9
113.02415	21.0
116.92845	6.9
119.03516	8.8
119.05022	7.7
128.03523	7.9
135.04478	5.7
151.45349	4.3
159.88977	4.7
161.04497	6.4
161.09633	6.9
175.02460	8.1
179.05609	9.0
191.34686	3.7
196.40982	4.8
207.10284	6.2
223.13423	36.3
267.12357	59.9
268.12750	4.3
309.13498	5.6
314.78433	5.5
429.17459	85.1
507.27939	17.5
549.29016	10.2
575.14020	6.9
651.32886	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03448	98.5
59.01379	90.5
61.98819	10.7
70.48462	3.5
70.48792	2.6
71.01378	28.4
73.02934	12.0
81.03459	2.5
83.01392	6.1
85.02961	13.9
89.02454	5.8
95.01373	2.8
97.02907	2.3
99.00885	3.4
99.04520	100.0
101.02447	38.1
109.70267	2.0
113.02423	13.1
115.03977	2.4
116.92898	2.8
125.02458	44.8
127.85918	1.8
143.03516	6.6
153.05270	2.4
159.02982	2.2
161.04575	6.2
279.13943	1.8
299.25641	2.1
308.88962	1.9
345.30130	9.9
451.90390	2.2
489.34332	65.3
507.35379	96.8
508.35651	3.2
549.36572	9.0
651.39612	47.9
652.40564	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	651.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59999	1.9
54.87329	1.9
57.03447	98.9
59.01379	84.1
61.98834	11.0
71.01385	23.8
73.02947	9.8
83.01366	5.1
85.02948	13.1
89.02444	4.9
89.71577	2.4
95.01426	2.5
99.00873	7.5
99.04518	91.1
101.02452	38.1
108.54911	2.6
113.02477	15.4
116.92921	2.5
125.02448	42.3
135.04587	2.9
143.03534	5.2
159.02934	2.7
161.02428	10.1
161.04555	3.9
202.30054	2.8
345.29974	12.3
489.34384	65.3
490.34744	5.3
507.35388	100.0
508.35614	6.3
549.36511	13.1
560.55560	2.4
625.22241	2.6
651.30261	3.3
651.39636	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57650	1.2
55.01876	1.7
57.03446	81.9
59.01379	82.5
61.98821	9.2
70.66077	2.2
71.01381	20.5
72.82169	1.2
73.02956	8.0
81.03475	1.7
83.01390	5.7
85.02953	13.1
87.00852	1.8
87.40233	1.3
89.02425	3.7
93.22251	1.3
95.01382	2.2
97.02973	1.8
99.00886	3.7
99.04517	100.0
101.02442	31.4
113.02443	11.3
116.92859	2.0
117.56085	1.5
125.02451	39.6
143.03484	5.9
156.79010	1.2
161.04556	3.6
190.27905	1.5
197.09206	1.4
218.79118	1.4
224.61993	1.2
264.66339	1.4
299.25958	3.5
345.16965	5.6
345.30051	8.3
489.34360	59.3
490.34476	3.1
507.35403	62.8
508.35394	1.9
549.36713	6.9
651.28369	3.4
651.39594	36.6
652.39636	2.2
653.59485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22663	1.1
59.01377	20.8
60.99296	4.4
69.59106	5.6
71.01382	11.2
85.02935	1.3
86.52940	1.1
86.96098	1.1
88.98803	19.5
89.02451	14.1
93.03506	1.7
95.01369	1.4
101.02427	5.6
109.14502	1.2
113.02450	3.9
116.92845	1.9
117.03465	3.4
119.03487	3.8
119.05009	2.3
135.04578	1.5
143.03563	1.7
145.02986	8.7
147.04543	5.9
161.04497	2.1
179.05615	8.2
214.40277	1.1
224.71230	1.1
245.04866	1.2
272.25485	1.1
280.24933	1.2
283.05927	2.7
293.08029	1.5
295.06140	1.5
296.06744	3.1
297.07693	12.5
323.05347	2.9
325.07120	5.3
328.05707	1.5
337.07315	2.2
353.06638	25.6
365.06577	3.5
381.79358	1.3
383.07733	21.7
384.07956	1.9
395.07617	1.8
413.08627	3.4
425.08627	3.6
441.35464	1.4
443.09680	4.4
473.14783	24.1
503.12155	1.6
518.67761	1.3
563.14026	100.0
564.14484	9.6
617.06244	3.7
618.06866	1.7
653.03601	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04356	1.5
60.99290	4.0
69.22941	9.5
88.98823	17.0
115.31652	1.8
117.03490	3.5
257.43823	1.8
283.06070	2.3
295.06180	4.4
297.07465	12.3
311.05655	2.7
325.07297	3.9
337.07098	2.2
353.06744	30.4
354.07016	2.0
365.06686	4.8
383.07675	25.2
395.07416	2.5
396.47723	2.3
397.09329	2.1
413.08884	3.3
425.56537	1.9
443.10025	3.4
473.11096	2.6
498.80316	1.8
503.11929	2.3
508.65631	2.0
535.03174	1.9
563.14050	100.0
564.14374	9.9
565.66003	1.9
653.03473	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	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60211	1.7
59.01380	79.6
59.54728	2.0
63.14779	1.8
69.34930	7.2
71.01382	44.8
73.01530	1.8
85.02940	6.8
88.98801	7.9
89.02446	63.9
89.03005	3.0
95.01385	2.8
101.02438	22.9
105.03479	2.2
113.02437	16.7
116.92838	4.7
117.03490	5.3
119.03510	22.7
131.03439	2.9
143.03487	5.6
143.57965	1.9
145.02948	40.8
147.04515	17.9
161.04573	10.3
163.03973	3.9
179.05602	39.4
250.87624	1.8
293.08136	5.1
297.07782	4.4
325.06708	1.9
353.06497	12.4
353.10303	1.8
354.07040	2.6
383.07611	9.4
444.80731	2.3
473.14581	100.0
474.14841	7.6
527.02435	2.3
563.13989	50.7
564.14160	6.5
602.47510	2.5
617.06079	5.8
653.03650	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	653.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.8
58.00566	2.2
59.01378	86.1
61.98548	2.2
61.98832	31.2
69.71070	5.1
71.01379	52.5
71.15650	1.4
72.99281	2.3
73.02946	24.6
75.00881	2.0
83.01398	1.9
85.02934	6.4
87.00936	1.8
88.98814	7.5
89.02441	100.0
92.44061	1.3
96.95997	1.6
97.02938	2.3
98.22639	2.0
99.00878	40.3
101.02435	32.5
105.01929	5.6
109.02946	2.1
113.02453	8.7
115.67038	1.3
116.92841	2.3
119.03493	6.0
123.04498	1.6
125.02439	5.0
131.03510	15.5
143.03459	2.1
149.04555	76.6
159.04498	1.6
161.04489	3.8
173.06133	1.8
179.05501	1.5
189.05580	2.6
190.06332	2.5
191.05579	16.7
204.05309	1.3
205.08798	1.5
215.53854	1.4
221.06598	5.9
251.07733	9.1
293.08801	2.6
297.07870	1.8
311.09705	3.0
341.13882	1.8
357.09280	1.5
415.43436	1.5
489.66541	1.4
521.20264	1.7
528.48419	1.4
653.24414	60.3
654.24219	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	653.245
Annotation	PdOEPK
Peak:m/z	Relative Intensity
52.77143	0.7
54.23395	0.8
59.01374	22.9
60.55112	0.8
69.03430	1.0
69.35825	4.3
69.75064	0.9
71.01379	16.5
73.02941	8.6
75.37752	0.8
75.75814	0.8
83.01376	2.6
85.02955	5.7
87.00881	1.7
89.02443	12.4
95.01338	0.7
97.02916	1.9
99.00880	8.8
101.02437	10.6
109.02926	4.2
113.02435	3.7
113.49665	0.7
115.03973	1.1
115.37584	0.8
119.03523	1.0
125.02419	2.0
131.03517	1.5
145.51572	0.9
159.04503	1.9
172.05235	1.1
173.06010	2.4
187.07594	1.2
189.05525	1.1
191.05513	1.1
233.06581	1.0
241.04993	2.8
255.06586	1.8
267.06674	1.3
281.08224	1.5
295.09705	1.1
299.09177	1.8
311.09134	4.1
313.10785	4.2
326.11423	2.3
327.12299	2.0
329.10214	1.7
341.13892	2.6
343.11218	0.9
344.12625	10.0
345.13327	3.1
352.32559	0.8
359.14960	24.7
360.15094	1.6
436.57239	0.9
459.87073	0.8
521.20306	6.4
653.24469	100.0
654.24725	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03448	1.3
58.00598	0.8
59.01379	52.2
61.98836	1.8
63.21339	0.4
69.03462	1.8
71.01382	33.8
72.99294	1.1
73.02947	7.2
75.00875	0.8
75.70760	0.4
76.95927	0.4
81.03474	2.1
83.01389	3.1
85.02947	7.3
87.00880	9.7
87.01380	0.7
87.04491	0.8
89.02444	32.9
91.03997	0.5
95.01389	3.6
95.05001	0.4
97.02948	5.9
98.21904	1.4
99.00883	2.4
101.02443	29.6
102.02828	0.4
108.81297	0.4
109.03020	0.5
111.04524	1.0
113.02446	14.6
115.04039	0.8
119.02662	0.5
119.03504	10.6
123.04527	0.5
124.01645	0.6
125.02454	13.5
127.03968	0.4
131.03500	1.3
133.05063	1.1
139.04030	1.3
143.03502	5.4
149.04536	1.1
160.16933	0.4
161.04558	6.8
166.52206	0.4
167.03506	0.4
169.05061	0.5
179.05627	6.2
185.04584	0.5
200.17465	0.4
217.07146	1.2
219.04997	0.4
220.29526	0.4
221.06755	2.1
235.08215	14.4
235.10585	0.7
237.22256	0.4
245.06601	0.9
253.09294	3.3
255.23294	100.0
256.23676	3.7
263.07666	1.6
268.26843	0.4
277.09341	0.9
287.07751	3.9
305.08783	5.2
306.09232	0.5
323.09695	2.0
360.64655	0.4
379.12335	0.5
397.13495	97.7
398.13843	4.1
415.14551	33.9
416.14786	1.0
514.43597	0.4
653.37708	0.6
657.21094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81820	2.0
59.01379	43.8
61.98831	2.9
71.01373	31.4
71.60240	2.5
73.02944	5.5
77.49398	1.8
78.95916	3.6
83.01376	3.5
85.02953	9.4
87.00864	8.0
89.02448	25.8
95.01423	3.5
97.02977	4.9
99.00898	3.3
101.02436	25.7
113.02456	11.7
119.03520	8.7
125.02463	10.3
143.03461	6.6
152.99597	3.2
161.04553	8.1
179.05583	5.5
203.02264	1.9
221.06686	3.3
235.08171	14.3
255.23299	87.3
256.23523	4.5
259.74503	1.8
287.07712	4.4
305.08939	4.4
307.56671	1.8
319.29807	1.8
397.13477	100.0
398.13678	3.4
415.14581	34.1
548.26575	2.7
595.28900	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	653.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05559	2.0
59.01365	6.2
61.98822	6.9
73.96655	2.1
78.95895	11.5
86.11656	1.9
88.86107	1.9
98.21882	4.0
199.87230	1.9
376.59647	2.4
416.79510	2.6
500.60193	2.4
653.35107	5.6
653.44214	100.0
654.44330	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	654.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.2
59.01376	0.4
61.98828	100.0
62.98537	0.1
69.46288	0.2
69.46688	0.3
71.01385	0.2
89.02436	0.1
110.16405	0.1
122.30850	0.1
128.03531	0.2
156.57260	0.1
223.13385	0.3
267.12439	0.5
319.52475	0.1
429.17664	0.5
510.33038	0.2
654.23053	0.3
654.35236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51808	0.1
59.01378	0.8
61.98828	100.0
67.03014	0.1
69.47939	0.5
71.01379	0.2
101.02454	0.1
107.50414	0.1
124.59555	0.1
128.03592	0.2
151.30664	0.1
155.15010	0.1
185.09273	0.1
214.95705	0.1
223.13399	0.6
263.40643	0.1
267.12366	1.6
327.05182	0.4
357.06335	0.1
429.17651	1.6
430.17911	0.1
654.23022	0.2
654.35089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40291	0.2
53.24870	0.2
57.47255	0.2
59.01380	0.8
60.41096	0.2
61.98830	100.0
69.09141	1.2
72.33921	0.2
73.38542	0.2
89.02414	0.2
98.21897	0.4
102.12536	0.2
108.25204	0.2
121.61288	0.2
195.35472	0.2
201.94296	0.2
223.13519	0.4
267.12326	1.1
274.06161	0.2
396.58643	0.2
409.70822	0.2
429.17715	1.4
456.76929	0.2
505.70950	0.2
560.07324	0.2
654.21661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.4
66.03482	1.7
69.19310	2.8
69.19715	4.2
71.01390	2.9
71.02499	7.2
73.04060	3.3
88.04041	62.4
89.02433	2.7
91.05511	1.4
93.03424	1.5
98.02473	3.0
98.06095	1.1
101.02447	1.8
101.07189	4.2
106.04249	1.5
107.05042	7.9
108.05389	3.6
108.08216	1.4
109.04055	3.6
113.02470	1.3
113.07185	14.9
114.05602	3.0
115.08761	16.4
116.07179	13.5
117.03466	11.8
118.03793	3.4
119.05042	4.4
120.01273	1.4
120.05344	2.0
122.27177	1.1
123.55209	1.2
126.05593	3.9
126.09232	1.5
127.05135	27.4
128.03528	2.3
130.08742	1.4
134.06200	1.2
138.05579	1.4
141.06721	3.6
141.10326	2.8
143.11943	1.7
145.02960	63.6
145.06149	6.7
146.03299	34.9
146.04129	0.7
147.03548	9.2
147.04460	6.5
148.03758	3.3
148.04861	1.6
152.07182	4.1
153.06757	1.7
159.07733	8.8
162.05550	2.0
163.03996	6.7
164.04303	3.3
164.07199	5.8
165.04463	1.5
165.07518	2.2
167.04675	1.3
167.11943	2.4
169.09793	1.7
175.08772	4.4
176.09024	1.7
179.08319	7.0
180.07652	1.4
185.16508	1.7
187.04030	4.1
188.04460	1.7
195.11389	3.8
198.08887	2.2
211.14639	1.6
212.14072	4.2
214.15620	7.5
222.16101	3.6
236.14104	3.8
240.17172	1.3
254.15120	1.6
265.16458	1.5
283.17773	1.5
284.23279	2.0
298.13916	2.6
311.20755	7.6
325.09378	9.5
326.09656	10.9
327.09415	9.8
327.13486	32.0
328.09607	9.8
328.13867	41.8
328.22220	16.6
329.13947	1.6
355.19870	12.8
376.19818	3.7
394.20856	3.6
412.22217	2.3
447.33218	1.3
467.95950	1.4
521.30646	1.7
525.30316	2.4
565.29761	2.0
636.33801	8.3
654.34735	100.0
655.35254	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	655.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25931	1.3
55.42495	1.6
59.01378	100.0
61.98833	7.3
70.69759	2.4
70.70074	1.7
78.83849	1.6
78.95918	2.3
79.13654	1.8
96.70841	1.6
96.99310	4.4
135.92119	3.0
141.01711	61.6
142.12128	1.6
194.00984	1.5
204.90170	1.7
599.63068	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	655.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05286	0.3
59.01378	100.0
60.01709	0.4
61.98835	1.2
66.09548	0.3
69.96355	1.1
71.01389	0.5
87.47072	0.4
96.99310	7.5
97.02943	0.7
98.21916	0.7
98.99406	0.3
101.00978	0.5
108.23407	0.3
109.98494	0.4
112.94979	0.4
113.00970	0.4
125.00945	0.5
131.02071	0.4
140.98302	1.4
141.01698	61.7
142.01962	0.5
142.05095	1.1
153.00496	0.6
156.97452	0.3
173.03073	0.8
201.02573	1.1
229.41429	0.4
257.05130	0.6
275.06232	5.0
277.21643	1.5
317.07175	1.1
335.08649	0.6
335.93073	0.4
359.21167	2.0
391.19717	1.0
535.27576	5.0
536.27545	0.8
595.29730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29480	0.9
57.03447	3.4
59.01380	4.4
61.98829	4.4
69.03440	1.0
69.14165	5.3
70.79698	0.8
71.01369	2.7
73.02939	0.9
83.05017	0.9
85.02957	4.4
89.02473	1.0
95.05008	0.9
96.95926	1.3
97.06577	3.7
99.04517	1.6
101.02444	1.0
111.08092	0.9
116.10501	0.8
121.06594	1.1
127.11333	1.2
135.04536	2.6
136.05301	33.9
137.06085	1.6
137.09700	1.1
142.73041	0.8
149.06079	6.1
150.06844	3.0
162.06873	2.5
163.07643	1.2
164.08371	3.3
165.07928	1.3
165.09222	16.9
165.12814	1.0
171.10284	7.7
183.13907	3.3
185.11812	0.9
199.13400	0.8
209.11649	1.7
211.13419	17.8
221.11835	2.6
229.14439	12.4
239.12868	2.3
291.19711	3.6
309.20654	1.2
327.21750	100.0
328.21896	1.2
431.31857	1.1
432.28806	2.0
447.31125	11.2
448.31766	1.4
449.32803	6.2
475.30618	1.4
492.30865	1.7
493.31738	21.1
655.37012	75.8
656.37390	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	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30257	2.0
59.01370	6.2
60.01724	1.4
61.01791	1.9
61.98828	24.9
69.14718	4.1
69.15118	7.1
71.01372	3.8
73.02935	3.0
74.18063	1.5
82.95392	1.6
89.02438	7.3
98.22453	7.9
99.00862	2.5
101.02452	4.8
107.01432	1.8
109.25642	1.6
135.00792	2.4
145.02832	1.7
149.04538	6.7
200.50922	1.8
219.68512	1.7
227.03484	17.5
229.04994	8.2
255.02945	34.0
256.03558	3.0
257.04541	4.7
284.00189	3.8
284.03262	53.6
285.04037	69.6
286.04501	4.2
328.62616	2.0
425.09888	1.9
593.15088	100.0
594.15540	6.2
656.25250	2.7
660.72565	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	657.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.39658	0.8
64.30247	0.7
69.09719	4.7
75.32373	0.9
90.92962	0.8
96.99312	5.0
98.22617	1.4
141.01700	65.5
152.99684	0.9
161.15141	0.8
189.51205	1.2
198.26341	0.9
237.59732	0.8
279.23215	3.0
361.23654	1.1
537.62506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90353	0.4
57.03436	1.1
59.01363	2.1
61.98816	2.1
63.57224	0.5
65.82674	0.4
69.19102	3.0
71.01381	0.9
72.28269	0.4
85.02929	0.7
98.22630	0.9
111.04458	0.6
113.02321	0.6
121.06561	1.1
122.03755	0.7
130.54129	0.5
135.04517	2.3
136.05301	36.1
137.05991	0.6
137.09660	0.6
147.08148	1.1
148.05296	0.5
149.06079	7.4
150.06824	3.2
155.10788	0.6
162.06885	2.4
163.07620	1.0
163.67165	0.5
164.08444	4.5
165.09213	18.8
265.21616	0.6
329.23318	6.6
330.23517	0.5
337.40201	0.5
348.10693	0.5
416.29596	1.0
418.31131	0.6
431.31659	1.4
434.30444	3.9
449.32706	15.7
450.32944	1.0
476.31274	1.1
477.32043	3.0
494.32434	3.6
495.33270	28.0
496.33490	3.1
630.14813	0.5
657.38525	100.0
658.38989	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	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91024	0.6
57.03436	1.8
59.01372	2.1
61.98833	3.4
69.34502	1.9
71.01376	1.4
81.17110	0.5
89.02458	0.7
99.04500	0.7
101.02444	0.9
121.06625	1.5
122.03683	0.7
135.04503	1.9
136.05296	34.4
137.05986	1.6
147.08110	1.1
148.05243	0.7
149.06076	6.3
150.06856	5.0
162.06883	2.5
163.07634	1.6
164.08427	4.8
165.09200	17.3
179.10724	0.8
214.04031	0.5
261.18451	0.7
283.22775	1.1
329.23343	7.8
431.31729	1.5
434.30313	3.5
448.31985	1.1
449.32715	14.2
450.32941	1.4
476.31403	1.6
477.32230	3.5
494.31924	3.1
495.33035	28.3
496.33212	2.8
625.23175	0.6
657.38507	100.0
658.38837	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	658.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.27265	0.8
60.01733	0.8
61.98845	1.2
71.05712	0.6
75.98560	0.6
79.66209	0.6
81.05315	0.7
97.12048	0.6
97.90649	0.6
141.01698	67.9
183.09918	0.7
246.04010	1.2
246.52528	0.7
269.43106	0.7
277.21667	3.8
293.67267	0.6
313.50320	0.6
411.21164	2.1
498.83688	0.7
502.29547	2.4
587.12189	0.7
626.23010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	0.9
70.33132	1.1
70.33440	0.7
78.86495	0.6
78.95914	1.3
80.96529	1.2
141.01698	85.1
142.02107	1.1
169.32419	0.6
259.98633	0.7
279.23276	4.5
291.62195	0.8
504.30957	3.3
535.67133	0.9
578.27502	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	660.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.69699	0.7
60.01725	0.8
61.62854	0.7
61.98839	1.0
66.91895	0.7
78.95914	2.1
84.56765	0.7
141.01701	75.2
142.01996	1.0
168.17422	0.8
279.23358	3.3
504.30447	3.5
505.31204	0.9
510.26074	0.9
578.27216	2.5
600.75677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95742	3.1
94.44566	0.4
96.96008	100.0
115.66129	0.5
117.03460	0.5
129.47055	0.5
131.86377	0.4
297.07623	1.1
319.02878	0.5
325.07407	0.6
338.24338	0.4
353.06619	2.8
358.79785	0.6
375.15479	0.5
383.07584	2.4
391.01883	1.2
409.02460	4.1
421.02298	0.9
443.09784	0.5
451.03391	3.0
475.80457	0.5
481.04794	0.8
511.05246	1.0
541.06696	0.9
563.14240	9.8
564.14258	0.7
571.07800	2.8
601.08521	3.0
619.09741	0.7
661.10474	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	661.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43179	0.2
61.98829	0.4
72.39888	0.2
79.95739	3.3
87.68495	0.2
92.06947	0.2
96.96011	100.0
97.95921	0.3
98.22626	0.5
117.03468	0.5
119.33409	0.3
224.17395	0.2
296.06833	0.4
297.07678	1.0
353.06595	2.5
367.01422	0.5
383.07712	2.5
391.01633	1.1
393.03162	0.3
395.08112	0.3
409.02399	2.9
413.08966	0.4
421.02429	0.7
425.08536	0.4
439.03394	0.3
451.03488	1.6
481.04706	0.7
511.05606	1.4
529.06549	0.3
563.13989	8.9
564.14850	0.4
571.07837	1.3
601.08533	3.1
602.09418	0.4
661.11450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1018
Annotation	Nicotinamide adenine dinucleotide (NAD)
Peak:m/z	Relative Intensity
62.96408	1.5
69.57161	2.0
78.95904	100.0
96.96031	0.7
96.96961	11.2
98.21843	0.5
130.08717	0.8
131.08286	1.7
134.04735	24.0
146.98508	0.8
158.16788	0.5
158.92543	33.4
173.10385	1.0
174.98022	4.7
176.93593	1.6
179.33659	0.6
191.01936	1.0
192.99097	1.5
211.00137	1.9
272.93011	1.1
272.95718	13.4
328.04449	8.4
346.05655	6.1
408.01233	7.6
426.02222	5.9
540.05402	63.0
541.05908	3.2
616.14752	0.7
617.90912	0.6
658.33722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92554	0.1
59.01366	0.2
71.02483	0.2
72.00908	0.4
73.96618	0.2
74.02493	0.2
91.05531	5.0
93.76364	0.2
96.96008	3.4
96.96604	0.3
98.22660	0.4
98.95592	1.9
98.96404	0.3
99.31145	0.2
103.05551	0.2
105.73586	0.2
112.07674	0.6
129.10341	33.5
130.10686	0.5
141.10385	0.2
147.04523	9.7
148.04829	0.2
164.07156	9.4
165.07458	0.2
233.16577	3.4
251.12006	0.2
254.58397	0.2
277.15555	100.0
278.15869	3.9
286.65051	0.2
340.81369	0.2
384.90942	0.2
663.79706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	53.0
59.01377	35.1
59.11829	1.2
61.98824	8.5
70.11442	2.3
70.11795	2.7
71.01385	14.8
73.02946	8.3
81.03476	1.1
81.52692	1.2
83.01389	3.9
85.02950	7.9
89.02470	3.2
90.99144	1.2
92.33209	1.1
95.01392	2.0
96.96009	2.1
97.02882	1.4
99.00848	2.7
99.04521	27.4
101.02444	27.4
105.90999	1.4
111.00922	1.4
113.02456	7.1
121.10196	2.6
123.04472	1.5
125.02454	13.6
125.09633	1.5
129.01904	1.7
141.12839	1.7
159.02969	1.6
161.04503	1.9
171.13884	3.0
178.79260	1.3
185.11713	1.8
201.14902	1.6
229.18111	2.6
339.25522	1.3
344.18372	1.9
352.22858	1.3
357.26297	5.0
358.20160	2.2
362.19452	9.3
501.30658	61.0
502.31216	3.8
519.31708	100.0
520.32166	5.0
561.33008	6.7
663.36029	39.9
664.36658	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	663.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
57.03165	3.3
57.03446	61.6
59.01379	56.3
61.98828	18.0
63.90724	1.9
71.01381	22.8
71.44052	1.8
71.44559	1.9
73.02943	7.7
82.95454	2.3
83.01379	6.8
83.01835	1.7
85.00430	4.3
85.02959	12.4
89.02433	9.0
95.01365	3.0
96.95976	2.4
99.00917	2.2
99.04520	28.7
101.02441	44.0
111.00852	3.0
113.02451	12.4
119.03497	5.3
123.00218	1.7
125.02431	15.4
140.62761	1.7
143.03537	3.2
159.03001	3.0
161.04623	2.8
179.05643	1.9
186.25546	1.8
220.73035	2.1
227.16504	3.2
357.26425	4.9
362.19373	2.8
371.20758	3.1
389.21698	4.5
431.20026	1.9
431.76123	2.3
501.23270	3.9
501.30704	90.1
502.31229	7.3
519.31726	100.0
520.31903	9.0
527.39612	2.3
561.32501	8.5
579.92816	2.1
603.28186	4.6
663.36090	49.1
664.36487	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	665.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.21701	0.3
66.39432	0.4
71.01370	1.5
72.00902	0.4
73.02929	0.6
88.04045	1.0
89.02431	1.0
91.05532	4.3
93.03459	1.7
96.00897	0.4
96.96021	1.0
101.02412	0.9
113.02470	0.9
115.08771	35.7
116.92846	4.5
120.99623	0.4
125.02457	1.0
126.06726	0.4
128.03540	0.5
130.06178	0.3
132.07486	0.4
133.02922	0.9
134.03685	0.5
135.04550	0.5
143.97081	0.4
145.02936	0.4
147.03325	0.8
147.04510	11.9
157.02942	1.0
158.03748	4.0
159.04509	9.7
161.02446	3.2
164.07150	5.8
167.03502	1.5
175.02528	0.4
175.04010	0.7
177.02011	0.4
201.05623	0.6
202.02702	2.8
203.03493	12.4
204.03827	0.6
217.05023	0.6
219.15038	2.7
225.05675	0.7
229.01407	10.6
240.10983	0.8
243.07750	0.8
245.04538	3.4
250.06493	0.5
251.07129	5.3
261.05579	0.6
261.12576	0.5
263.14001	100.0
264.14340	3.9
269.08203	0.5
279.06683	1.9
293.12192	0.4
295.06055	1.1
297.07599	1.1
305.06711	1.0
309.07730	0.5
322.05008	0.5
323.05576	7.9
324.06238	0.6
332.12268	0.4
339.08698	0.7
365.08780	22.4
366.09003	2.0
485.10861	4.7
503.12076	1.5
545.12317	0.9
665.17249	4.2
665.29095	2.9
666.17438	0.9
666.28192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03448	70.3
59.01379	49.8
61.98824	4.4
64.34605	0.8
65.24330	0.8
69.03451	1.2
69.32771	4.3
69.33150	1.7
70.85588	0.8
71.01380	16.5
73.02939	7.7
77.57262	0.8
81.03441	1.1
83.01392	5.9
85.02944	11.1
87.00872	2.5
88.98814	0.9
89.02444	2.6
95.01398	2.4
96.95994	1.4
97.02965	1.8
99.00896	2.5
99.04522	39.6
101.02448	28.9
103.01483	2.9
111.00912	1.7
111.88031	0.9
113.02455	8.4
113.30686	0.8
119.03512	1.0
123.08177	2.3
125.01536	0.9
125.02453	18.0
129.01945	1.3
141.09196	1.4
143.03517	2.5
155.10831	2.0
159.02985	1.6
161.04544	2.6
187.13387	2.1
200.14146	1.1
201.15019	2.8
230.15204	1.9
341.26788	1.7
345.43710	1.0
359.27994	18.7
362.19214	1.1
503.32269	52.5
504.32840	3.8
521.33313	100.0
522.33783	10.0
545.32294	1.2
563.34442	9.8
603.37823	1.6
633.72961	1.1
665.37610	49.7
666.21344	1.1
666.37531	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	56.8
59.01379	38.9
61.98828	5.3
69.37947	5.9
71.01382	14.5
72.99330	1.3
73.02949	7.5
73.90382	1.1
75.00907	1.3
81.03461	2.2
83.01394	4.8
85.02963	8.0
87.00876	1.7
87.76785	1.1
89.02454	2.8
95.22955	1.1
97.02969	1.8
97.06618	1.2
98.21858	2.5
99.00855	1.6
99.04518	29.8
101.02434	27.3
103.01511	3.1
111.00851	2.9
111.65963	1.1
113.02431	8.1
119.03502	1.4
123.08210	1.5
125.02442	17.6
128.98268	1.1
132.02159	1.1
143.03520	3.3
151.07640	3.1
161.04590	2.5
171.13843	1.6
187.13460	1.7
199.58784	1.4
359.15335	1.6
359.20538	1.9
359.28024	10.6
360.28210	1.9
362.19318	1.8
451.96194	1.4
460.55377	1.2
503.32187	52.1
504.32660	5.4
520.32013	2.6
521.33234	100.0
522.33582	11.2
563.34387	12.3
564.34668	1.9
603.37524	2.0
665.37543	46.6
666.37433	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	666.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89933	1.3
54.73174	1.6
55.01843	1.4
56.14628	1.3
57.03444	90.5
59.01377	100.0
61.98816	5.8
63.93697	1.4
71.01382	16.4
73.02930	4.2
81.03423	2.7
83.01392	4.1
85.02944	6.5
89.02435	10.1
99.00893	1.9
99.04514	98.3
101.02443	28.4
113.02467	6.8
119.03497	3.4
125.02438	32.6
128.46191	1.4
143.03499	3.3
153.88391	1.4
159.02983	1.6
161.04573	4.9
207.94092	1.5
209.42429	1.4
244.80666	1.6
457.06662	1.6
522.34216	16.2
606.38342	4.1
666.38885	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	667.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78616	0.8
53.89938	0.9
55.01870	1.2
55.16827	0.9
58.00584	2.2
59.01376	97.4
60.17397	0.9
62.82814	0.8
64.27815	0.9
69.03430	2.1
69.24369	4.7
71.01379	31.9
71.55538	0.9
72.99300	4.5
73.02942	54.0
74.80166	0.9
75.00856	1.1
83.01378	1.6
84.95074	1.8
85.02443	1.7
85.02943	17.0
86.00086	3.7
87.00877	16.2
87.04520	8.7
89.02438	32.8
90.46046	0.9
97.02974	1.7
98.21969	2.2
101.02441	68.3
103.04005	25.8
108.02186	1.6
109.02934	2.2
113.02436	3.4
115.04005	17.4
116.92912	1.0
119.03510	14.2
121.02918	1.6
121.90726	0.8
123.04471	1.4
125.02419	4.3
127.04007	2.6
131.03500	19.1
139.23688	0.9
143.03490	22.0
145.05066	10.2
149.04526	3.9
159.04520	2.5
160.05223	4.2
161.06061	1.0
163.04176	4.8
163.06114	100.0
164.06465	1.9
172.05319	2.7
173.06033	2.3
173.41298	0.9
175.03925	0.9
175.07671	2.1
177.05489	1.1
179.05666	1.8
187.07684	1.4
189.05559	4.8
190.06406	4.7
194.05730	1.2
205.05188	2.0
205.07149	40.3
205.08702	2.3
235.08217	1.0
265.09268	7.6
296.10431	2.4
311.12881	3.8
341.13931	13.5
342.29172	0.8
343.15430	1.3
465.36743	1.1
629.63220	1.1
667.26001	46.4
668.26788	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	667.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51043	1.2
59.01376	20.9
66.30733	1.4
69.03490	1.3
69.24802	5.2
69.25208	2.0
71.01389	12.3
72.99307	1.2
73.02943	8.5
73.87723	1.1
73.88949	1.1
74.54272	1.3
74.66443	1.1
78.96804	1.2
80.20084	1.1
83.01377	4.3
85.02968	6.4
87.00858	4.2
87.04527	1.4
89.02447	6.3
94.50319	1.2
95.01383	1.3
97.02998	1.5
101.02440	9.8
103.03999	2.5
109.02956	4.4
109.19005	1.4
113.02448	3.1
115.03979	1.6
118.96364	1.3
131.03479	2.3
143.03452	2.9
143.18704	1.4
159.04524	1.6
161.36336	1.2
163.06122	1.8
172.05212	1.5
173.06091	2.4
178.56151	1.3
205.07251	1.5
241.05000	3.8
255.06604	3.9
257.13275	1.5
267.06787	1.4
299.08862	1.4
311.09256	4.3
313.10880	4.1
341.14011	1.9
344.12595	11.8
345.79547	1.4
359.14984	25.4
521.20367	8.6
576.30597	1.7
661.73792	1.6
667.26025	100.0
668.26428	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	667.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	39.1
59.01380	19.2
69.13672	7.1
71.01379	10.8
73.02950	4.3
83.01373	2.4
85.02962	7.6
87.00886	1.7
89.02454	6.5
96.96032	1.7
99.00852	2.3
99.04523	18.7
101.02449	17.3
109.02972	2.1
113.02431	8.8
119.03500	1.7
121.02954	5.6
122.03742	10.1
122.79882	1.5
125.02455	14.4
128.03520	1.6
133.86812	1.3
147.04530	3.1
161.06046	2.5
165.05553	13.5
175.07666	1.4
179.07083	2.7
191.07111	2.5
272.41293	1.3
313.14395	4.7
316.13376	1.4
328.13132	1.9
343.15253	4.2
346.14197	3.5
347.14908	1.6
361.16559	45.4
450.60425	1.3
474.82663	1.5
505.20755	50.1
506.20865	3.7
523.21851	100.0
524.22192	8.6
565.22705	17.8
566.23694	1.6
605.25745	2.9
667.26794	5.7
668.25372	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	667.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03447	86.8
59.01381	58.9
61.98837	10.2
71.01379	25.1
72.99305	2.0
73.02946	7.7
81.03493	3.1
83.01390	8.9
85.02937	16.7
87.00865	2.3
88.98799	2.2
89.02452	5.6
95.01385	3.1
96.96088	2.4
99.00880	3.8
99.04517	48.0
101.02441	33.0
103.01490	3.0
111.00858	3.4
113.02449	13.9
116.92887	2.5
119.03449	2.7
125.02444	25.1
130.08681	2.1
138.49701	1.6
143.03485	3.6
157.12370	4.3
159.03067	2.0
161.04555	2.9
359.27670	2.0
361.29550	18.7
469.28271	2.1
498.16162	1.9
505.33838	65.8
506.34073	3.4
523.34845	100.0
524.35345	5.1
565.35773	9.3
596.75891	2.2
605.38733	1.9
667.39148	80.8
668.39258	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	668.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76600	0.9
57.03439	2.4
59.01117	1.3
59.01379	16.8
61.80011	0.8
61.98830	8.2
62.37630	0.8
63.94666	0.8
68.66834	0.8
69.27205	4.2
71.01379	13.8
73.02953	2.0
74.02479	0.9
75.00843	0.9
77.12956	0.8
81.32883	0.9
82.02967	0.8
83.01371	1.2
85.02956	5.9
87.00877	1.4
89.02436	6.6
96.96045	1.5
98.02531	0.9
99.04506	1.1
101.02435	4.8
102.01494	0.8
106.06606	2.0
108.02186	0.8
113.02442	5.7
113.07230	4.2
119.03499	1.5
122.06110	2.7
125.02430	1.4
128.03539	5.8
129.10231	0.8
130.08733	13.0
134.06125	16.8
152.07188	3.4
160.03960	1.1
161.04546	1.7
164.07167	1.0
181.06209	4.8
182.06441	1.4
185.16541	2.7
190.05037	1.3
211.05077	2.2
212.05695	1.0
212.14034	1.1
224.05881	1.3
225.06706	1.4
225.10712	1.0
227.08310	2.1
231.07367	0.8
239.08238	4.0
239.11879	2.3
241.09825	2.1
250.07471	1.4
251.04581	1.1
252.05391	2.1
253.06157	2.5
253.09840	2.4
254.03346	1.0
255.07716	3.4
265.09781	3.6
266.06805	1.2
267.07718	9.5
279.07764	4.5
281.09283	5.2
283.10876	8.3
284.23288	1.4
287.10562	4.5
293.09268	2.8
295.10809	2.5
296.11264	1.3
299.10254	3.3
309.08789	15.1
309.12177	1.7
321.08691	3.4
323.10080	1.0
341.11481	1.9
381.28659	1.4
425.27692	4.6
426.27921	2.9
430.17599	1.8
433.59552	0.9
488.18280	1.2
506.19260	2.1
568.94336	1.0
592.23016	2.1
626.22803	1.2
636.21954	13.9
667.36578	7.9
668.24493	100.0
668.36798	19.6
669.24915	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	669.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76548	0.3
55.34972	0.3
59.01376	100.0
60.01711	1.8
61.01793	0.5
61.98827	1.2
75.37631	0.3
103.94881	0.3
115.02514	0.7
117.00401	0.4
118.96622	0.4
157.03548	5.3
158.03716	0.6
159.01483	5.5
159.03377	1.1
160.01706	0.8
161.01242	1.0
174.99237	1.4
184.01044	1.1
187.00862	0.4
201.02538	78.6
202.02708	14.8
202.98856	2.6
203.02280	16.3
204.00024	0.7
217.00269	2.1
301.02606	1.7
302.02795	0.7
303.02536	1.2
345.03491	0.4
378.07751	0.3
401.02594	0.3
527.02576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.1
58.65880	1.9
59.01382	18.1
61.98537	3.0
61.98829	34.4
66.13090	1.7
69.25742	10.0
70.02972	2.9
71.01380	10.0
82.02967	8.9
89.02433	5.5
96.00914	4.8
96.96011	2.8
98.02448	4.1
99.04562	2.7
99.92558	2.1
101.02429	4.8
108.03277	3.6
109.01677	3.1
111.03575	1.8
113.03565	3.9
113.07219	3.9
114.02010	4.5
114.05621	2.9
115.08784	6.5
116.92840	4.2
119.03461	3.6
124.07626	2.1
125.02444	2.3
125.07149	2.3
127.05131	2.2
130.08746	10.9
139.08855	2.3
140.07233	1.9
140.10831	2.7
151.08783	22.0
152.07141	13.6
152.08299	8.3
153.06659	5.6
155.78624	1.9
166.08701	14.7
169.09807	4.0
177.06683	2.9
183.15034	14.6
194.09328	14.0
195.07719	20.3
209.12976	10.6
209.94025	2.0
210.07759	6.2
212.10439	10.8
213.08844	3.1
217.00288	4.1
227.14015	51.3
230.11331	6.6
278.83942	2.3
328.11575	5.8
362.27072	2.3
420.21457	7.6
438.22406	9.6
441.19803	2.7
507.26532	3.0
554.31567	4.4
616.29926	2.5
633.31787	2.9
634.31189	13.5
635.30707	2.9
651.33789	31.2
652.32373	13.0
669.24994	3.8
669.34686	100.0
670.35248	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99670	0.7
54.83331	0.6
55.01875	2.2
55.02127	0.7
57.03448	8.1
58.00574	0.7
58.03754	0.7
59.01379	33.3
61.98833	4.6
66.30943	0.7
71.01382	25.4
72.99332	1.3
73.02942	9.9
75.00886	0.9
78.95904	0.8
83.01378	4.9
85.02950	14.5
87.00871	2.1
89.02448	9.8
95.01386	2.3
96.95971	0.7
97.02936	0.9
99.00875	3.3
99.04522	4.5
101.02438	24.5
102.02795	1.1
105.01987	3.5
111.00890	3.9
113.02445	11.5
119.03493	2.9
119.04997	0.7
125.02470	4.1
129.01965	1.2
159.03001	1.7
161.04552	2.5
197.25613	0.6
211.13446	1.2
243.54245	0.7
247.98204	0.8
295.15179	0.9
345.30142	2.3
471.26462	1.0
507.35352	7.7
544.91541	0.8
669.40704	100.0
670.31628	0.6
670.41156	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	669.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
57.03448	4.2
59.01377	26.5
61.98838	2.7
69.03465	0.8
70.68139	1.1
71.01379	20.8
72.99297	1.1
73.02940	8.7
75.00860	1.4
75.35588	0.6
83.01379	5.7
85.02953	11.7
86.00102	0.7
86.81194	0.5
87.00864	1.5
89.02436	6.4
95.01382	1.4
97.02926	0.7
99.00901	3.0
99.04505	1.9
101.02440	20.4
109.66712	0.5
111.00872	3.4
113.02445	8.6
119.03519	1.8
125.02429	1.5
129.01939	0.7
139.21962	0.5
141.01860	0.7
141.12889	0.6
159.02991	1.9
161.04556	2.0
179.05544	0.6
296.90036	0.6
299.25787	0.8
307.39841	0.6
345.30023	3.1
349.66766	0.6
362.27283	1.1
363.27112	1.2
384.98370	0.7
507.35446	7.1
519.37183	0.6
609.36688	0.7
669.40637	100.0
670.41016	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	671.4007
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03450	1.5
58.86028	0.7
59.01386	3.4
61.98821	2.9
71.01379	1.4
73.52585	0.6
75.00890	0.6
85.02966	0.8
89.02425	1.5
92.01148	0.6
99.60012	0.7
101.02433	1.1
111.08120	0.6
113.02466	0.9
136.05356	1.0
149.06091	3.8
150.06865	41.7
151.07455	1.2
163.07649	10.1
164.08405	5.5
176.08392	1.9
178.09998	2.5
179.10773	13.2
291.87189	0.6
327.25494	0.9
329.23331	4.0
430.30673	1.3
445.32968	1.0
448.31946	8.5
449.31906	0.7
462.33664	1.7
463.34348	12.3
464.34741	1.2
490.32938	2.6
491.33765	2.8
508.33771	4.5
509.34860	29.7
509.42554	1.4
510.35104	3.0
671.40112	100.0
672.40411	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60667	2.0
57.03447	21.3
59.01378	20.6
61.98835	18.3
69.33976	10.1
71.01379	9.7
72.99293	3.2
73.02936	8.3
80.13757	1.8
83.01388	4.3
87.00863	2.1
88.04004	2.3
89.02422	5.2
93.69661	1.8
96.96009	11.2
99.00895	5.0
99.04520	20.9
100.01647	4.8
101.02449	17.2
105.01949	3.4
111.00869	11.9
113.02442	4.6
113.99600	19.7
115.00356	3.2
116.92818	2.9
125.02433	8.8
128.01157	8.3
143.03500	2.4
156.00650	100.0
157.01311	4.0
161.04573	2.9
172.04082	2.2
174.01689	79.6
175.02443	5.8
179.05521	2.2
209.91676	1.9
211.08049	1.8
287.16559	9.1
467.22739	4.1
509.23712	6.8
512.08850	2.1
549.27191	4.2
573.25507	3.9
611.27124	11.5
613.24884	9.0
637.25336	2.5
655.25745	6.1
673.25562	10.0
673.37024	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
59.01375	7.2
61.98819	3.3
70.29861	1.1
70.74373	1.6
71.01380	3.9
85.02960	1.4
89.02428	1.9
101.02451	4.8
111.08147	2.2
113.02474	1.9
141.01666	1.6
145.05151	1.4
165.12843	15.2
183.13898	100.0
184.14261	3.6
209.11841	3.2
227.12889	6.8
235.08171	1.3
253.09428	1.5
336.04828	1.1
463.22028	2.8
493.28384	3.3
511.29059	27.0
511.36066	2.2
629.35138	3.8
647.31714	1.4
655.32898	2.6
673.34436	58.3
674.35144	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	673.3802
Annotation	MK 7924
Peak:m/z	Relative Intensity
56.13989	0.4
57.03445	1.6
59.01382	2.3
60.90806	0.4
61.98817	2.6
62.93372	0.6
71.01374	1.2
73.02926	0.6
83.72099	0.4
85.02937	0.7
87.00879	0.5
89.02426	0.6
90.75668	0.5
96.96037	0.8
99.04515	0.9
101.02465	0.8
111.04553	0.5
113.02448	0.5
120.37384	0.4
121.06588	1.3
122.03724	1.8
123.08155	0.6
135.04533	1.5
136.05301	38.7
137.05769	0.8
137.09816	0.5
138.98138	0.4
147.08144	1.3
148.05280	1.1
149.06094	5.9
150.06863	4.1
155.10799	0.6
162.06836	1.4
163.07668	1.4
164.08455	2.7
164.56747	0.4
165.09206	31.6
166.09572	0.9
176.46393	0.5
307.12271	0.8
345.22855	6.5
385.18048	0.5
447.31195	1.1
450.29678	0.9
451.16431	0.6
456.12778	0.5
459.02533	0.5
464.30759	0.6
465.32217	14.5
466.32581	1.3
469.17612	1.6
492.31018	1.1
493.31604	3.3
510.32104	3.2
511.18570	1.5
511.32764	32.4
512.33185	3.2
566.37531	0.5
617.54492	0.5
673.38019	100.0
674.38300	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40796	0.3
57.03440	0.8
58.05189	0.3
58.70052	0.3
59.01377	2.3
61.98828	100.0
71.01397	0.5
73.02950	0.4
74.14327	0.3
83.01388	0.3
96.96034	0.7
99.04520	0.4
99.28709	0.3
101.02425	0.8
116.92848	0.4
125.02366	0.4
128.03487	0.3
132.63719	0.4
184.51147	0.3
283.11093	0.4
449.50183	0.3
475.27386	1.0
476.27606	1.3
512.20502	0.4
674.25909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.6
59.01379	54.3
62.27839	1.2
69.03461	2.5
70.90035	2.3
71.01379	36.6
72.99314	1.8
73.02934	6.8
75.00874	1.8
81.03501	1.8
83.01393	5.6
85.02951	9.8
87.00878	10.3
89.02441	32.0
95.01363	3.7
97.02959	5.9
99.00863	2.7
101.02445	29.3
113.02442	16.0
119.03512	10.6
125.02478	10.5
131.03500	1.5
143.03514	4.8
149.04686	1.4
161.04532	10.3
179.05615	5.0
211.39900	1.3
212.46762	1.5
217.07191	1.3
235.08232	12.4
253.09224	4.5
263.07782	1.8
277.21713	100.0
278.22018	4.0
286.83066	1.3
287.07840	1.6
305.08740	4.2
323.09897	2.2
379.12558	1.8
397.13470	99.0
398.13928	3.0
415.09253	2.6
415.14609	38.3
415.20053	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
59.01375	57.1
61.98816	1.7
67.26692	1.2
69.03454	1.8
69.59873	1.1
69.68813	3.8
70.05665	1.1
71.01375	37.1
71.34151	1.1
72.99292	1.1
73.02958	7.8
75.00877	1.7
79.03657	1.2
81.03452	1.9
83.01383	5.5
85.02937	6.7
87.00874	11.3
89.02445	34.5
95.01395	2.3
97.02952	6.0
99.00890	3.0
100.80614	1.0
101.02441	30.3
102.66059	1.2
107.14745	1.2
109.57897	1.2
113.02454	15.4
119.03497	12.4
125.02440	10.6
143.03500	5.1
161.04532	6.5
169.05051	1.3
179.05595	5.3
196.72144	1.2
221.06674	2.3
235.08205	14.2
253.09325	5.8
277.21713	99.6
278.21948	2.4
287.07761	3.6
305.08646	3.9
323.09653	1.9
351.94263	1.1
397.13470	100.0
398.13846	3.4
415.14496	35.3
416.14340	1.4
434.17819	1.2
438.70877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86604	0.3
59.01368	0.3
81.03432	0.4
82.95425	0.5
83.05016	0.9
89.02405	0.3
89.03957	0.6
91.05546	0.6
93.03432	0.7
96.55818	0.3
96.96025	0.7
107.31013	0.3
117.03476	0.8
119.05025	0.7
121.02956	12.9
122.03350	0.4
132.02182	1.5
135.04549	0.7
136.01611	0.5
147.04507	5.3
149.02441	77.5
150.02809	1.6
151.04024	0.5
160.37926	0.3
163.04005	0.8
164.04791	50.8
165.05081	1.9
169.04951	0.3
179.07121	3.6
193.01430	0.5
208.03781	1.1
223.06110	100.0
224.06453	3.2
225.16071	1.2
292.45566	0.3
371.08231	0.3
433.31693	0.6
451.32901	18.0
452.33282	1.5
675.40033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01536	1.2
54.59878	1.2
55.01870	1.5
56.06542	1.1
58.02961	4.0
59.01374	7.0
62.16395	1.4
65.18335	1.4
69.38948	5.3
70.02968	1.6
71.01385	3.8
72.04562	1.5
80.05067	1.5
82.02960	1.2
83.01378	3.4
84.04532	4.9
85.02920	1.4
86.73274	1.2
87.05633	3.4
88.04041	13.2
89.02448	2.8
94.02989	1.6
96.04555	1.8
96.96010	14.1
97.04076	2.0
98.02507	3.0
98.06102	2.4
100.04049	23.1
101.02458	4.4
102.05614	23.3
111.68357	1.3
112.04052	4.5
113.07233	3.4
116.07169	4.8
118.08884	1.4
119.03466	1.8
123.05628	1.3
124.04037	15.8
128.03535	65.7
129.10342	9.3
130.16933	1.3
133.02937	1.6
136.04018	1.6
140.03622	2.9
141.06718	3.5
142.05119	11.3
146.04564	10.3
154.04991	2.3
159.07771	2.1
160.06122	13.4
161.02438	3.6
166.05052	3.9
177.01962	3.5
184.06079	3.3
202.07204	10.3
245.11389	8.6
272.18732	1.3
341.08652	2.2
345.12994	8.6
386.95700	1.4
387.03009	1.3
392.24341	1.3
398.83856	1.2
405.15085	5.7
430.18295	2.4
435.42477	1.3
506.20050	1.6
548.20941	60.7
549.21069	2.9
620.56244	1.5
642.96967	1.2
659.24738	1.6
677.25153	100.0
678.25269	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	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
59.01377	55.1
61.98822	3.0
62.53408	1.2
69.03435	2.2
71.01380	37.5
73.02942	6.6
73.57119	1.3
81.03419	1.6
83.01376	3.6
85.02963	7.9
87.00873	8.2
89.02442	29.4
95.01382	2.2
97.02945	4.0
98.31718	1.3
101.02438	32.7
113.02445	13.6
118.90456	1.6
118.99242	5.0
119.03477	10.8
125.02453	11.2
125.79649	1.4
131.03523	1.9
133.05014	1.7
143.03490	4.7
149.04527	2.0
161.04530	8.0
161.08163	2.7
162.08481	2.1
162.98296	3.1
164.75079	1.5
179.05579	5.1
185.04630	1.2
221.06700	1.8
235.08220	13.0
253.09279	3.9
263.07678	1.9
279.23276	100.0
280.23608	6.5
287.07690	2.0
305.08783	2.8
397.13480	88.8
398.13812	4.6
415.09244	2.7
415.14548	36.5
603.19678	1.7
604.18512	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16914	0.4
55.01855	1.2
57.03442	1.1
59.01378	47.4
61.98827	0.7
62.54872	0.4
69.03454	1.5
70.48186	0.7
71.01379	31.7
72.99302	0.9
73.02949	5.2
75.00858	0.9
81.03452	1.3
83.01392	3.6
85.02946	7.3
87.00871	6.7
89.02442	28.1
91.03986	0.9
95.01408	2.4
97.02939	6.4
99.00892	2.0
101.02441	27.7
102.02848	0.5
103.04027	0.7
109.02961	0.4
111.00838	0.6
111.04520	1.0
113.02447	14.1
115.04018	0.4
119.03506	8.4
125.02441	12.4
127.97775	0.4
129.01964	0.4
131.03473	1.3
133.05040	0.7
136.79054	0.4
139.03999	0.6
141.01917	0.6
142.05821	0.3
143.03505	4.6
145.19249	0.5
145.78780	0.4
146.65491	0.4
149.04549	1.6
161.04556	7.5
169.05031	0.5
177.96495	0.5
179.05609	6.0
185.04507	0.7
217.07230	0.5
221.06717	2.1
235.08206	13.9
245.06609	0.7
251.76746	0.5
253.09274	3.5
263.07700	1.4
265.65869	0.4
277.09378	1.1
279.23276	100.0
280.23636	6.6
287.07727	2.8
305.08780	3.7
323.09775	1.3
361.11389	0.5
379.12463	1.1
397.13480	89.2
398.13861	5.1
415.14539	35.4
416.14874	1.8
677.37799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01377	2.5
61.98832	1.4
69.03460	0.7
71.01371	1.8
71.05051	0.8
82.20801	0.5
82.25684	0.6
83.05027	0.7
84.02150	0.9
85.02940	3.0
86.03260	0.6
95.05058	1.1
96.35618	0.5
97.02958	2.6
97.06606	3.2
98.21786	1.3
99.04526	1.4
125.09729	1.0
127.11308	0.9
137.09697	2.1
138.14900	0.7
149.09738	0.8
163.11302	1.9
165.08949	1.1
165.12848	12.8
166.13228	0.7
171.10251	7.1
173.07323	0.6
175.11276	1.1
177.09050	0.8
179.10570	1.6
181.08467	0.6
181.12311	1.1
183.13892	2.0
185.11740	1.5
191.06889	0.8
191.10698	0.8
193.08440	8.8
193.12221	2.3
197.11852	1.0
203.10577	1.7
205.12102	3.9
207.09998	11.3
209.11916	0.8
211.13365	11.0
212.13795	0.7
215.10562	1.0
219.09999	4.2
221.11635	8.5
229.14389	7.5
231.09984	8.2
233.11580	66.4
234.11914	2.3
237.77191	0.7
239.12949	2.0
243.10033	2.4
247.09564	1.5
248.10342	1.6
249.11258	9.3
251.12653	10.5
261.11041	14.1
261.13763	0.8
262.11493	0.7
278.11438	1.2
279.11127	0.8
291.19730	2.3
313.17899	3.6
327.21750	64.6
328.22110	4.7
331.18909	6.9
332.19470	1.0
349.19943	100.0
350.20261	5.9
533.33405	0.8
677.42072	11.8
678.41827	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	677.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26602	0.2
57.03436	0.6
58.02969	0.3
59.01377	1.3
61.98819	0.2
70.79344	0.3
70.79710	0.1
71.01380	0.6
71.12964	0.2
73.02924	0.3
80.05039	0.3
81.03455	6.5
82.03798	0.2
82.06627	0.3
83.05025	17.8
84.05355	0.2
88.95402	0.2
89.02426	0.8
96.36012	0.2
99.04503	0.4
100.07670	0.3
101.02418	0.6
107.06168	0.3
108.04519	0.5
113.02390	0.2
119.03470	0.4
125.02464	0.3
125.07209	1.3
126.05637	0.4
143.08232	0.4
144.86301	0.2
194.05765	0.3
207.15068	1.4
209.08231	0.2
210.24841	0.2
224.17691	2.6
225.16080	13.3
226.16467	0.6
242.18735	0.9
250.15544	0.3
268.16589	0.3
308.23157	0.2
309.21796	0.9
324.26471	0.4
333.22934	0.8
341.29175	0.8
351.24149	0.4
367.27182	1.1
385.27985	0.2
405.02173	0.2
433.31711	1.3
440.19489	0.2
450.34610	1.5
451.32910	6.8
452.33075	0.6
454.58301	0.2
533.25879	0.3
550.43378	0.9
551.42731	0.2
554.69183	0.2
559.39471	0.4
565.44232	0.3
567.46143	0.2
593.43311	0.4
659.48694	1.3
660.49811	0.2
677.49652	100.0
678.49976	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	677.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26602	0.2
57.03436	0.6
58.02969	0.3
59.01377	1.3
61.98819	0.2
70.79344	0.3
70.79710	0.1
71.01380	0.6
71.12964	0.2
73.02924	0.3
80.05039	0.3
81.03455	6.5
82.03798	0.2
82.06627	0.3
83.05025	17.8
84.05355	0.2
88.95402	0.2
89.02426	0.8
96.36012	0.2
99.04503	0.4
100.07670	0.3
101.02418	0.6
107.06168	0.3
108.04519	0.5
113.02390	0.2
119.03470	0.4
125.02464	0.3
125.07209	1.3
126.05637	0.4
143.08232	0.4
144.86301	0.2
194.05765	0.3
207.15068	1.4
209.08231	0.2
210.24841	0.2
224.17691	2.6
225.16080	13.3
226.16467	0.6
242.18735	0.9
250.15544	0.3
268.16589	0.3
308.23157	0.2
309.21796	0.9
324.26471	0.4
333.22934	0.8
341.29175	0.8
351.24149	0.4
367.27182	1.1
385.27985	0.2
405.02173	0.2
433.31711	1.3
440.19489	0.2
450.34610	1.5
451.32910	6.8
452.33075	0.6
454.58301	0.2
533.25879	0.3
550.43378	0.9
551.42731	0.2
554.69183	0.2
559.39471	0.4
565.44232	0.3
567.46143	0.2
593.43311	0.4
659.48694	1.3
660.49811	0.2
677.49652	100.0
678.49976	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	678.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68416	100.0
70.68766	76.5
71.42599	70.8
71.68839	64.6
91.14977	68.4
153.86055	71.3
242.26321	85.3
382.36502	76.7
560.44739	87.8
643.46783	77.2
678.29468	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.60273	51.5
72.22100	43.5
110.27302	42.6
188.73621	49.0
409.14038	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	680.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01812	1.1
61.98832	100.0
70.78276	2.1
97.82922	1.1
99.77902	1.3
153.47101	1.2
157.70468	1.1
342.15393	1.2
500.97549	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	681.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41600	0.5
70.80295	0.8
93.01868	0.6
99.92577	10.3
113.27370	0.5
116.92859	100.0
117.92884	4.5
185.95210	0.5
297.07883	0.6
326.11493	0.5
353.06561	1.6
383.07919	1.4
474.95901	0.6
517.53387	0.5
563.14026	8.6
564.14667	1.1
580.51563	0.5
644.17255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
59.36000	0.4
66.35098	0.4
71.01382	1.1
71.43575	0.4
75.16814	0.4
75.63929	0.4
86.15738	0.4
89.02448	1.8
98.22702	1.0
99.92584	9.9
113.02443	0.6
114.93472	0.6
116.92866	100.0
117.92858	2.7
119.03455	0.7
134.37741	0.5
134.60490	0.4
179.05568	0.7
179.84081	0.4
246.10670	0.5
282.05603	0.4
297.07526	0.8
339.12341	0.6
353.06647	1.2
383.07745	1.1
507.61511	0.5
563.13983	5.9
564.14349	0.9
621.06525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	85.2
58.03787	1.9
59.01377	100.0
61.98832	18.0
69.20001	7.5
71.01380	20.6
73.02959	8.0
81.03475	2.0
83.01406	5.0
85.02947	11.3
88.98797	1.7
89.02443	4.7
95.01389	2.5
96.95970	2.5
99.00879	3.6
99.04517	98.4
100.04826	3.4
101.02448	35.7
113.02448	9.1
116.92875	5.9
125.02446	37.4
143.03522	3.0
155.74773	1.5
161.04558	7.2
164.94011	1.6
175.02423	1.6
375.27347	3.1
376.28207	6.3
520.32373	11.3
521.32953	4.9
538.33722	27.5
539.34052	3.2
580.35114	5.3
590.15906	1.7
646.38818	1.6
682.37823	17.1
683.37970	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	683.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57085	0.5
59.01110	0.8
59.01377	5.7
70.78403	0.7
70.78732	0.7
71.01373	2.3
85.02954	0.5
89.02451	1.4
89.78548	0.5
101.02436	1.2
105.03452	0.6
113.02457	0.9
119.03499	0.9
132.02155	1.2
133.02948	23.9
134.03355	0.7
135.04524	8.9
149.06142	0.6
161.02438	100.0
162.02788	2.9
175.03914	0.9
177.05618	1.0
179.03494	18.9
180.03807	0.8
203.03506	1.6
207.15822	0.5
221.04468	1.1
248.42181	0.5
250.28830	0.5
281.06741	1.3
312.48257	0.5
341.08762	58.3
342.09064	4.6
455.95227	0.6
590.95905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90126	0.4
57.03434	0.5
58.28201	0.4
59.01379	43.3
71.01382	28.1
73.02944	0.8
83.01382	0.6
85.02927	2.9
87.00859	1.1
89.02443	36.5
95.01389	1.7
101.02446	13.0
105.88750	0.4
113.02454	11.0
119.03500	12.6
119.04318	0.8
131.03485	2.1
143.03484	2.3
149.04593	1.1
161.04570	3.8
179.05624	14.4
228.71338	0.4
258.43924	0.6
341.10873	100.0
342.11243	3.5
475.48538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00117	2.7
59.01073	5.4
59.01376	100.0
61.98829	4.2
65.47404	2.6
69.03459	3.9
71.01380	80.0
73.02939	35.8
81.21364	2.7
83.01379	11.0
85.02945	17.6
87.00859	8.5
89.02447	62.1
95.01402	4.4
97.02954	16.7
98.21864	6.4
98.22554	12.0
101.02437	87.4
113.01706	3.7
113.02447	37.7
115.03974	5.5
119.03497	26.0
131.03477	6.2
143.03491	16.0
146.30881	2.9
149.04535	6.0
159.04427	3.6
160.05290	3.1
161.04558	66.5
178.06297	3.2
179.05620	52.5
189.05574	4.1
190.06313	4.1
205.08673	4.0
221.06648	14.4
263.07559	16.5
286.55902	2.8
296.10620	3.4
297.54715	2.5
311.12790	3.8
341.13980	6.5
438.26288	3.1
521.20258	7.7
683.25543	86.5
684.25739	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	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31425	1.3
53.58875	1.3
57.03433	5.1
59.01369	7.0
61.98829	6.2
69.15010	8.4
71.01382	3.3
78.95891	1.5
87.00868	2.1
89.02441	2.0
96.42519	1.2
97.06583	16.9
98.21806	2.4
101.02435	3.7
113.02435	1.8
123.08167	8.3
125.09727	82.2
126.10067	2.2
143.10881	1.6
161.04585	2.3
187.09749	30.6
235.08194	2.6
253.09230	2.6
277.21707	42.8
278.21979	2.6
313.76117	1.3
405.17569	4.3
423.18677	3.9
667.72437	1.5
683.40088	100.0
684.40533	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.9
58.66774	1.0
59.01385	8.1
61.98828	1.1
69.47673	1.8
69.48058	1.8
71.01366	4.5
71.70215	1.0
78.95912	1.3
85.38882	1.1
89.02438	4.6
97.06582	13.0
101.02435	3.7
101.05310	0.9
109.36821	0.9
110.15462	0.9
113.02441	2.2
123.08141	7.1
124.81720	1.0
125.09727	100.0
126.10043	3.1
143.10732	1.6
169.08751	2.2
187.09755	76.0
188.10179	2.0
201.11462	1.4
253.09254	2.0
261.13046	1.1
277.21722	14.5
405.17673	4.1
423.18713	14.4
683.40094	95.8
684.40253	8.5
706.74481	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	684.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
74.74053	0.7
93.07571	0.8
98.21200	0.7
145.09932	0.6
257.90564	0.9
328.78506	0.8
438.13446	3.8
452.14536	1.4
452.71671	0.7
481.15192	29.4
482.15375	5.6
495.16809	8.8
496.16962	1.4
539.15802	1.2
540.16394	14.9
541.17023	2.7
554.17908	2.9
555.18854	62.5
556.19183	10.4
572.15552	10.0
573.15845	2.2
586.16821	3.1
587.17151	1.0
609.20325	1.4
641.13245	0.7
641.22522	27.1
642.23175	6.3
684.23120	100.0
685.23328	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08564	0.7
57.03429	1.3
59.01379	5.0
59.82339	0.8
61.98836	4.9
69.13396	3.4
69.13802	1.2
71.01368	2.4
72.29897	0.6
73.02926	1.0
83.21038	0.7
85.02939	1.8
87.00870	2.1
89.02451	1.8
99.04519	1.1
101.02447	2.3
113.02453	1.1
116.92879	0.7
119.03468	0.8
123.08250	0.7
125.02516	0.8
127.11238	1.0
137.09702	1.2
150.06866	14.7
162.06822	0.9
163.07635	7.7
164.08420	3.1
171.10255	2.2
179.10762	10.8
271.15668	1.1
333.02853	0.8
341.23215	2.4
343.21304	3.6
343.25168	0.9
375.56448	0.8
462.29968	1.2
476.31329	2.5
477.32022	5.4
504.30960	3.0
505.31516	1.1
522.32001	7.2
523.32782	18.8
524.33234	1.3
581.23151	0.8
591.17560	0.8
664.48163	0.8
685.38043	100.0
686.38440	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72524	0.7
55.01868	2.6
55.73305	0.7
57.03458	3.7
59.01377	33.1
61.98817	2.5
63.99229	0.7
69.28095	1.5
69.28498	2.2
71.01379	23.8
72.99284	1.1
73.02948	7.4
75.00873	1.3
83.01381	4.7
83.01807	0.7
84.55183	0.9
85.02944	13.2
87.00885	1.4
88.69674	0.6
88.98831	0.9
89.02442	10.3
95.01359	2.4
99.00871	2.4
99.04524	1.9
101.02444	19.7
111.00887	4.0
113.02459	9.4
116.92880	0.6
119.03495	2.8
125.02467	1.7
128.03528	0.7
129.01929	1.1
143.03520	1.0
159.02948	1.3
161.04491	1.1
162.60742	0.7
178.43326	0.7
179.03372	0.9
188.19661	0.7
224.06932	0.8
311.82983	0.7
359.28314	1.3
361.29593	8.2
388.72617	0.7
523.34894	7.8
634.49316	0.8
685.40106	100.0
686.40521	9.8
691.09363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
59.01376	4.8
61.98817	3.3
69.32032	1.3
69.32429	2.3
71.01373	2.5
73.02923	0.8
77.83578	0.6
79.95706	1.0
85.02940	1.8
87.00864	0.6
89.02444	3.4
96.96012	5.0
99.04521	1.2
101.02496	1.1
113.02434	1.1
119.03483	1.0
130.31302	0.6
135.08202	1.2
149.06071	3.9
149.09689	0.7
150.06865	33.4
151.07596	1.3
161.09729	0.9
162.06839	1.3
163.07651	7.3
164.08427	6.8
174.01668	0.9
175.00673	0.6
176.08389	1.5
177.09198	0.7
178.09952	1.3
179.10773	15.9
250.69870	0.6
343.25043	1.4
345.22690	4.5
464.31500	3.7
478.32965	0.9
479.33807	7.7
480.33618	1.0
506.32306	1.7
507.32971	2.0
524.33472	2.2
525.34326	26.7
526.34735	1.8
602.15314	0.6
687.39563	100.0
688.39838	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3962
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
51.79455	0.5
53.01385	0.6
54.64552	0.4
56.37274	0.4
56.64024	0.4
57.03436	0.8
58.63656	0.5
59.01360	1.8
61.98820	1.6
66.54321	0.4
69.21221	2.3
71.01366	0.9
83.29950	0.4
84.86044	0.4
85.02940	2.0
87.00859	1.0
87.04508	0.7
89.98009	0.5
97.09476	0.5
101.02422	0.5
107.79836	0.5
113.02477	0.6
135.08182	0.7
137.09718	0.7
147.80666	0.5
149.06067	1.9
149.09689	0.7
150.06866	21.2
155.10789	1.0
162.06834	0.6
163.07646	11.9
164.08408	3.4
169.12131	0.5
176.08456	0.8
177.09238	0.6
178.09950	1.0
179.09293	0.8
179.10773	11.0
301.20038	0.9
327.21585	0.6
343.24896	3.2
345.22803	2.9
462.33035	0.8
464.31546	3.5
478.33011	3.0
479.33795	5.5
488.31393	0.8
506.32648	5.2
507.33231	2.0
524.33545	10.2
525.26221	1.0
525.34314	20.5
526.34534	1.8
687.39594	100.0
688.39911	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	688.172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39522	2.1
78.95903	100.0
85.02956	1.0
87.00877	6.2
96.96959	27.3
110.69689	0.5
111.00890	6.3
133.01462	1.1
134.04724	11.2
134.05727	0.8
138.98006	1.6
148.13640	0.5
150.97997	3.4
168.99901	1.0
170.03098	0.9
182.97870	1.1
191.01962	4.2
192.99016	1.4
211.00104	2.3
242.01595	2.0
242.99905	1.5
250.93549	1.6
266.93219	0.7
288.89297	1.3
346.05563	91.3
347.01578	0.8
347.05838	3.7
392.90286	2.0
458.95755	0.8
496.91452	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01534	1.0
57.03453	2.4
59.01380	26.0
61.98828	3.3
68.63145	1.1
70.93452	1.5
71.01382	18.3
71.05011	3.5
73.02959	3.0
74.29108	1.1
77.01022	1.0
79.11669	1.0
83.01385	2.4
83.05010	1.3
85.02954	4.2
87.00856	3.5
89.02448	13.5
97.02970	5.4
97.06593	2.1
99.00884	21.2
101.02447	14.6
109.06569	1.3
113.02435	7.6
119.03511	3.4
120.77785	1.1
123.08125	1.3
125.02443	3.4
125.09711	7.7
135.08107	1.6
143.03444	1.4
152.82303	1.1
161.04558	3.4
161.09665	1.5
163.11293	11.1
165.12849	16.4
171.10242	1.3
179.05577	1.7
181.12366	22.8
183.13887	37.7
199.13385	13.6
207.10258	35.0
208.10609	1.5
209.11684	1.4
223.13454	1.3
225.11328	52.0
226.11768	1.8
227.12784	2.5
235.08249	2.8
243.12350	31.9
247.20676	7.7
253.09224	2.5
273.18582	3.4
287.07794	1.5
291.19678	58.1
292.19952	4.2
305.09021	1.8
317.15933	1.9
394.36719	1.2
397.13437	24.3
415.14554	15.8
463.21869	1.7
479.21484	6.1
509.27353	4.7
527.28680	30.1
528.28717	2.3
542.04327	1.3
576.21527	1.4
645.34875	4.1
671.32257	3.7
689.33844	100.0
690.34241	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	689.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.1
61.98833	5.2
69.22359	17.9
71.01396	12.5
87.00857	4.7
89.02436	14.9
92.09630	4.9
101.02450	9.8
103.91105	4.3
113.02412	6.2
255.23277	35.1
397.13538	91.6
415.14587	23.7
653.37573	16.5
689.35211	100.0
690.36084	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	689.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.3
61.98817	8.7
69.77462	10.6
69.77850	12.3
71.01358	6.2
89.02440	7.0
101.02431	6.3
113.02512	6.2
114.79558	6.4
137.53351	5.8
139.04031	5.7
162.35556	5.4
195.60387	5.9
241.61757	6.7
255.06906	5.8
255.23196	28.6
296.70532	6.6
364.04178	5.9
390.76758	5.9
397.13486	100.0
415.14459	18.3
565.10333	7.0
653.37653	19.0
689.35229	71.8
690.34961	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	691.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.8
57.23213	0.8
59.01385	8.8
61.39726	0.7
61.98832	6.7
69.71027	2.2
71.01387	5.3
73.02946	0.8
74.89687	0.8
78.91898	2.5
79.17954	0.8
81.47433	0.8
82.47431	0.8
83.01394	1.6
85.02949	1.4
87.00927	1.0
89.02444	3.4
96.96002	2.9
101.02438	3.3
113.02440	3.1
119.03500	1.5
137.85835	1.0
174.01759	1.4
179.05577	1.2
268.89670	0.9
270.32278	0.8
313.23837	1.6
331.24817	5.8
475.29260	4.1
493.30206	100.0
494.30606	9.6
691.33496	12.2
692.33600	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	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94927	0.1
55.01881	0.5
57.03455	0.7
58.00591	0.3
59.01378	21.4
60.01693	0.2
61.98824	0.7
66.76889	0.1
69.03451	1.1
71.01379	13.9
71.47376	0.1
72.99313	0.5
73.02941	2.3
75.00879	0.3
81.03453	0.4
83.01387	1.3
83.05019	0.2
84.02165	0.2
85.02950	2.8
87.00877	2.6
88.22157	0.1
89.02441	11.5
89.30402	0.2
93.03465	0.2
95.01387	0.9
97.02946	1.8
99.00871	0.9
99.04567	0.2
101.02443	11.1
106.07909	0.1
109.02982	0.2
111.00878	0.3
111.04510	0.3
111.08179	0.4
113.02448	5.2
113.09723	0.4
115.04012	0.3
119.03500	3.1
119.04310	0.2
121.02976	0.4
125.02448	3.4
125.03310	0.3
127.04068	0.2
131.03551	0.7
133.05042	0.3
138.46242	0.1
139.04070	0.1
143.03502	1.9
149.04579	0.5
158.18033	0.2
161.04553	2.3
167.10791	0.3
169.05048	0.2
177.05618	0.2
177.12923	0.2
179.05623	2.4
179.14375	0.8
181.12314	0.1
183.10306	0.4
185.04605	0.4
195.13887	8.3
196.14633	1.5
200.13010	0.2
205.12201	0.8
205.16054	0.5
211.13408	0.3
217.07239	0.2
221.06625	0.8
223.13390	5.8
223.16711	0.3
224.14059	0.6
225.15016	0.3
228.13683	0.4
231.21167	0.5
235.08229	3.4
245.06779	0.3
249.22195	0.2
253.09245	1.8
253.11665	0.2
256.13138	1.1
263.07584	0.3
265.21988	0.3
275.20151	4.1
276.20392	0.3
277.09427	0.2
287.07773	0.8
293.21210	100.0
294.21539	6.1
294.24890	0.3
305.08743	0.7
317.21365	0.2
323.09811	0.8
397.13477	23.6
398.13760	1.1
415.14545	26.3
416.14850	1.3
598.15063	0.2
654.27563	0.3
691.35461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22769	0.2
52.46560	0.2
55.01884	0.2
57.03444	0.5
58.00595	0.3
59.01378	18.4
61.98823	0.4
68.61037	0.2
69.03454	0.4
71.01380	11.6
72.99291	0.6
73.02949	2.2
81.03449	0.5
83.01390	1.0
85.02946	2.5
87.00880	2.6
89.02442	10.8
95.01373	0.9
97.02962	1.6
98.22597	0.7
99.00873	0.6
99.04549	0.3
101.02440	8.9
111.00874	0.4
111.04504	0.3
111.08146	0.4
113.02454	4.0
119.03511	2.7
125.02436	3.0
131.03535	0.5
133.05060	0.4
139.03929	0.2
143.03476	1.6
149.04514	0.2
161.04541	2.7
167.10762	0.4
177.12732	0.3
179.05617	2.4
179.14424	0.7
185.04552	0.2
195.13890	7.4
196.14664	1.4
205.12355	0.7
205.15984	0.3
212.64453	0.2
221.06740	0.6
223.13382	4.9
224.14078	0.5
225.14882	0.3
228.13658	0.5
235.08182	3.0
245.06610	0.2
249.21997	0.3
253.09254	3.3
256.13068	1.0
263.07733	0.3
265.21652	0.5
275.20142	3.9
287.07755	0.5
293.21213	100.0
294.21536	5.4
305.08871	0.6
323.10028	0.4
379.12262	0.3
397.13486	25.8
398.13733	1.3
415.14536	25.8
416.15021	0.9
654.27545	0.8
691.35950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64299	1.1
53.79520	1.2
56.64264	1.1
57.03416	1.6
59.01361	4.8
71.01381	2.1
71.34506	1.6
72.63513	1.2
73.10715	1.1
89.02444	2.3
101.02452	2.0
110.06133	1.2
116.92842	2.8
122.06094	6.8
130.82727	1.3
144.04552	2.5
160.04051	1.9
161.04747	1.3
172.04063	1.6
176.07161	1.5
204.06625	5.1
211.05098	2.9
212.05893	2.7
213.10403	1.6
227.11842	2.2
237.06467	2.0
237.10172	1.8
238.07532	2.2
239.08183	5.2
239.11908	1.4
240.08960	1.3
251.11806	1.6
252.05463	1.6
253.06142	2.2
253.09840	6.9
254.10571	2.9
265.06186	3.0
266.06921	5.1
267.07703	9.2
267.11383	3.7
268.08432	4.0
268.12030	1.5
279.07642	2.6
280.08563	6.5
281.09241	8.7
282.09988	2.8
283.07599	1.9
283.10788	5.6
293.09113	2.1
294.09906	2.8
295.10812	20.7
296.11465	7.3
297.08786	2.8
297.12204	1.9
298.09454	3.8
299.10315	4.0
300.11139	2.6
306.12204	1.5
311.10178	7.2
312.11157	1.8
313.08517	1.8
313.11926	7.4
320.10519	1.3
325.11771	2.8
327.10074	2.7
327.13425	5.1
328.10547	1.8
334.12073	2.1
339.09766	3.1
340.10739	2.2
341.11288	4.3
342.12109	2.2
343.12949	3.1
346.11716	1.8
346.15598	2.6
348.13425	3.3
351.12238	5.4
360.17169	1.9
361.14886	1.8
362.11337	1.6
362.15195	2.0
367.19110	1.3
372.13266	1.9
376.12469	1.7
376.16556	3.9
378.14392	1.7
388.12805	2.9
389.13611	1.9
390.14517	10.8
392.11996	2.3
392.16467	3.0
394.17682	1.8
402.14609	4.0
404.16238	8.0
405.16849	1.7
406.13885	8.4
407.14600	7.4
418.17813	1.6
420.15680	13.3
421.15866	2.0
422.17188	2.3
424.15070	4.5
434.12854	1.6
434.17722	2.1
435.17899	10.4
438.16681	8.2
439.16940	3.4
439.56665	1.5
448.14816	2.1
452.18304	4.4
462.16400	1.4
464.14752	6.2
466.15680	2.0
479.16928	10.0
480.17542	7.3
496.17307	8.3
510.18707	3.2
511.19550	68.5
512.20160	16.7
513.20392	1.8
543.17877	1.9
549.25269	1.9
633.25513	9.6
643.23767	2.1
654.32916	1.4
657.25500	3.8
675.26678	100.0
676.27020	15.3
693.27728	79.3
694.28265	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	695.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.3
71.01377	1.4
71.20180	1.8
83.65963	1.1
84.04553	2.0
87.05617	3.5
88.04038	5.4
89.02435	11.2
98.02469	1.6
98.06127	1.3
98.48340	1.1
100.04021	4.6
101.02420	3.2
102.05602	13.2
103.05952	1.0
116.07159	2.5
119.03493	5.5
121.77195	1.2
124.04028	6.3
128.02594	1.8
128.03537	37.8
129.10339	9.1
138.68886	1.2
142.05074	6.2
146.04576	7.8
148.08228	1.3
159.07715	2.4
160.06152	26.5
199.07344	5.7
204.96239	1.3
245.11447	3.7
289.10400	100.0
290.10815	2.8
379.24677	1.3
465.96417	1.3
695.26654	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	695.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63187	0.2
59.01080	0.3
59.01376	4.9
64.70346	0.2
65.45898	0.2
67.01242	0.2
69.56709	0.7
71.01369	1.7
73.02946	0.3
73.04063	0.7
85.02954	0.6
85.06582	1.3
87.00842	0.2
89.02446	3.0
93.03496	0.2
96.95988	0.4
101.02441	2.3
106.04254	0.8
107.05032	10.5
112.36784	0.2
113.02444	1.2
113.06068	0.9
115.07666	0.3
119.03517	1.1
119.05009	1.2
127.07673	0.3
130.08737	24.5
131.07147	7.5
131.08154	0.4
131.09094	0.3
134.06114	1.4
141.10349	6.8
142.10666	0.3
143.11894	1.9
147.04541	0.3
162.05666	0.3
167.08263	0.3
173.08215	0.4
179.05557	0.2
179.08255	0.3
183.93634	0.2
185.09334	0.3
187.10870	5.8
187.12556	0.3
219.03717	0.2
221.09395	0.3
232.13437	1.7
245.27457	0.2
247.74304	0.2
249.16034	1.3
293.12347	21.2
293.15140	100.0
294.12695	0.7
294.15454	4.7
323.98932	0.2
353.06677	0.5
365.09290	0.2
499.82773	0.2
533.10254	0.2
695.18231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4655
Annotation	PA(18:2(9Z,12Z)/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.70552	13.5
69.38162	13.7
77.43107	12.7
78.95889	50.3
94.03050	13.4
98.21799	32.2
144.83330	12.1
152.99586	38.2
200.15361	12.5
225.57843	12.4
244.10049	13.6
279.23328	100.0
367.70950	16.2
415.22412	66.2
433.23718	18.5
695.45691	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	38.7
59.92920	2.4
61.98821	6.8
63.35710	2.1
67.23830	2.1
71.01381	23.4
73.02938	6.8
78.95900	8.3
85.02952	4.8
87.00907	4.0
89.02442	22.4
94.92521	4.3
97.02928	4.2
101.02443	19.1
108.85119	2.6
113.02453	9.0
116.92891	2.4
119.03484	3.7
125.02451	9.5
144.49962	2.1
152.99661	3.9
161.04568	6.8
163.16887	2.2
163.99577	2.4
179.05666	4.2
221.06783	2.5
222.03766	2.2
235.08148	11.0
255.23286	70.0
279.23087	4.3
280.23547	3.0
397.13483	100.0
398.13925	4.7
415.14450	29.1
544.94470	2.6
559.38269	2.5
644.25549	2.7
653.37476	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	696.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86862	1.7
56.34227	1.4
59.01375	34.4
61.98820	3.1
68.29948	1.5
69.03433	1.6
69.58492	6.8
71.01373	20.7
73.02956	4.7
78.95906	4.5
83.01409	2.3
85.02945	4.3
87.00876	4.8
89.02438	18.4
97.02944	2.8
101.02443	17.7
113.02438	8.3
114.35921	1.6
119.03500	5.6
125.02445	8.7
132.79620	1.7
141.25308	1.7
143.03496	3.8
152.99637	2.6
160.34401	1.4
161.04507	4.7
179.05573	4.2
185.17810	1.6
235.08226	8.1
255.23288	55.9
256.23468	4.2
279.23318	3.2
287.07623	2.1
305.08765	2.4
323.09418	1.9
397.13464	100.0
398.13684	5.0
415.14590	31.0
653.37531	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	699.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40440	1.3
77.00817	1.3
82.18209	1.4
89.78470	1.3
110.38191	1.5
116.06672	1.3
121.02943	4.1
135.04510	2.1
145.02803	1.4
146.03738	1.7
147.04532	6.7
149.02373	1.5
150.03207	2.5
156.45499	1.3
158.03682	4.2
159.04512	11.4
160.05295	20.5
161.06046	10.8
163.04021	4.5
164.04739	3.6
173.06081	5.4
174.06877	1.6
175.07642	16.5
176.04732	1.7
177.05548	6.4
178.06332	9.9
192.07875	6.2
221.06013	1.9
225.05656	2.5
225.09271	2.0
237.05518	2.0
238.06320	3.0
239.07121	3.2
253.02393	1.6
253.05098	1.8
254.05829	8.2
255.06607	4.7
264.07855	2.1
265.05112	1.5
265.08658	3.6
266.05728	10.7
267.06625	18.4
268.07108	2.6
269.08197	21.7
270.08997	6.5
280.07199	1.8
281.08203	27.0
282.08850	10.0
283.09698	3.4
284.10406	5.5
285.11301	1.7
295.09525	1.7
296.07132	1.9
296.10519	3.9
302.07831	2.5
314.07870	3.2
316.09399	4.6
345.99396	1.5
349.01868	1.5
374.50302	1.4
432.15640	4.6
444.15732	13.0
445.15796	1.5
447.18454	8.7
449.56665	1.5
459.18564	9.2
462.16714	2.2
474.17276	7.1
477.12152	2.8
477.19150	76.1
478.19696	8.3
489.19217	100.0
490.19412	12.9
492.18216	1.6
507.20233	58.7
508.20624	7.8
519.20172	48.4
520.20471	6.8
537.21399	9.0
549.18524	1.7
629.48804	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	699.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03442	1.0
58.00595	0.4
59.01378	14.1
61.98822	1.6
69.03464	0.3
71.01380	8.0
72.99292	0.4
73.02968	1.1
74.48136	0.2
83.01379	0.9
85.02946	3.1
87.00852	0.7
87.04518	0.3
89.02446	6.0
95.01387	0.9
99.00908	0.3
99.04492	0.3
101.02433	4.9
104.71045	0.2
113.02445	2.5
119.03512	1.6
123.08186	0.3
125.02435	0.4
126.99563	0.3
128.03549	0.3
130.38115	0.3
138.02507	0.3
139.11296	0.3
143.03575	0.4
157.12315	0.4
161.04626	0.4
169.12317	0.6
179.05592	0.8
185.11790	0.7
188.20845	0.2
215.12843	0.6
250.53021	0.3
323.93161	0.2
327.25458	0.6
329.23380	1.0
339.25333	0.8
355.25027	0.5
357.26440	10.5
358.26755	0.6
373.25980	0.5
375.27499	10.7
376.27634	0.6
466.89044	0.3
477.19040	0.4
509.23331	0.3
519.31708	9.2
520.32001	0.9
535.31622	0.3
537.32788	100.0
538.33167	9.0
699.38202	0.6
712.72400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84650	0.6
59.01379	100.0
69.18533	1.4
69.18938	3.5
78.95937	0.8
94.41997	0.7
101.68903	0.7
104.32816	0.7
107.66710	0.6
139.75069	0.7
198.10696	0.7
211.48026	0.7
241.21811	0.8
267.65552	0.8
357.60278	0.8
437.12604	1.1
438.13306	4.5
452.14835	2.1
467.13403	1.0
481.15219	30.2
482.15494	8.1
495.16824	11.3
496.17136	2.9
497.18518	5.4
498.18585	1.3
539.15814	2.6
540.16406	12.9
541.16693	3.2
551.19434	0.8
554.17871	5.1
555.18848	54.4
556.19287	9.0
572.15558	9.5
573.15680	2.3
586.16876	4.9
587.17682	1.7
609.20233	0.9
627.20544	1.1
641.22534	26.0
641.33130	1.4
642.22614	7.3
701.24628	75.3
702.24786	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80089	21.4
58.80236	18.2
61.98810	35.6
69.23549	100.0
77.52690	19.4
78.59558	18.0
91.65347	17.0
105.95879	17.0
202.56854	18.9
241.99239	17.1
331.17645	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40730	25.9
50.78551	27.9
52.25030	24.0
69.23308	100.0
88.29404	24.1
96.96003	84.3
98.21912	69.1
99.96954	25.8
117.60922	26.6
131.27585	26.8
196.49368	22.8
277.21527	37.4
498.06052	30.1
503.06866	31.5
503.91934	34.9
541.82690	30.3
594.88922	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	705.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21682	0.9
50.89755	0.9
52.63904	1.1
53.12177	1.0
57.03441	2.4
59.01376	10.6
61.65489	1.0
61.98833	16.1
67.23855	1.1
71.01382	5.1
71.04996	2.9
83.04985	1.3
87.00860	1.4
89.02426	3.4
96.96017	1.4
97.02944	3.2
97.06581	2.3
99.00873	28.0
101.02438	3.3
106.24814	1.0
109.06561	2.0
110.03709	1.5
113.02430	2.2
122.57883	1.0
123.08172	2.0
125.09719	8.5
126.61283	1.0
139.69125	0.9
154.57262	1.1
161.04468	1.4
163.11304	10.3
171.10229	2.0
175.02312	1.1
181.12343	15.8
197.11678	1.4
199.13422	8.3
207.10251	30.4
225.11314	48.5
226.11647	1.9
243.12370	32.9
244.12744	1.2
282.60345	1.1
317.16080	1.8
397.13626	1.1
399.23679	1.7
402.83472	1.1
479.21283	4.7
543.27686	2.3
610.46100	1.2
669.40216	1.6
687.31848	2.1
705.33331	100.0
706.33759	9.7
719.25171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17521	0.8
55.01850	1.3
57.03455	5.2
59.01376	14.6
61.98828	5.1
68.30643	0.8
69.23037	4.9
71.01378	8.1
71.04999	2.3
73.02921	3.1
83.01328	0.8
83.04976	1.2
85.02917	3.4
87.00877	1.2
89.02441	6.6
95.04987	0.9
97.02919	3.5
97.06554	2.4
98.21869	1.7
99.00878	21.1
99.04508	1.0
101.02443	7.3
109.06556	1.1
110.03702	1.6
113.02469	4.2
119.03424	1.1
121.06545	0.9
123.08171	1.2
125.02394	1.2
125.09727	6.5
135.08186	0.9
153.81841	0.8
161.09625	0.9
163.11273	9.6
181.12357	15.0
197.11742	0.8
199.11705	0.7
199.13385	10.6
207.10258	31.1
208.10522	1.2
225.11308	44.3
226.11562	2.2
243.12358	30.4
244.12631	1.6
329.51752	0.8
399.19592	0.9
441.21188	1.8
461.19974	2.0
468.52597	0.9
479.21347	7.9
543.27118	1.6
561.29034	4.2
667.39154	9.0
668.39246	1.4
669.40350	7.6
687.31384	1.4
705.33313	100.0
706.33594	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	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91912	0.4
55.01872	0.6
57.03448	1.0
59.01376	23.7
61.98845	1.3
63.22440	0.4
69.03455	0.6
71.01382	12.7
73.02949	2.3
75.00877	0.5
83.01407	1.4
85.02949	3.0
87.00890	1.8
89.02444	13.0
95.01405	0.7
97.02955	1.8
97.06603	1.1
98.22720	0.7
99.00877	0.5
101.02439	10.5
105.68352	0.4
111.08261	0.5
113.02454	5.0
113.09755	1.3
115.07609	0.7
119.03503	3.5
121.02889	0.4
125.02413	3.2
126.06894	0.8
141.09184	0.6
143.03510	1.6
151.11276	0.5
155.10553	0.5
161.04555	3.3
165.12820	2.6
167.14398	1.4
179.05592	2.8
181.12341	3.0
183.13890	1.0
193.12373	1.1
193.15962	0.5
195.13937	1.7
211.13377	3.3
221.06633	0.8
221.15378	1.7
229.14345	0.8
235.08176	2.7
240.13672	0.6
241.14558	0.5
247.20651	4.2
253.09213	2.6
263.07574	0.7
265.21707	0.5
271.78696	0.5
273.18649	2.3
281.21228	1.7
291.19638	31.5
292.19971	2.4
309.20700	100.0
310.21008	6.1
311.22171	1.0
323.09821	0.7
333.09180	0.5
397.13486	21.0
398.13986	1.1
415.14560	18.9
416.14624	1.2
545.29364	0.5
638.27313	0.8
648.09027	0.5
707.34906	17.3
708.35364	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49147	0.3
55.01873	0.7
57.03450	2.6
58.00588	0.4
59.01380	21.2
61.98826	2.6
67.01896	0.5
69.03465	2.0
69.03772	0.3
69.78270	0.7
69.78628	0.7
70.69552	0.3
71.01013	0.7
71.01385	11.5
71.05042	1.9
71.05361	0.5
72.99315	0.8
73.02950	2.5
79.01859	0.3
81.03462	0.8
81.78637	0.3
83.01400	1.3
83.05034	2.4
85.02946	4.2
85.06583	0.9
87.00877	2.0
87.04506	0.9
89.02445	11.2
95.01385	0.8
95.05013	0.8
97.02950	12.7
97.06573	0.7
99.00848	0.5
101.02445	10.3
109.06596	1.8
111.04532	1.1
111.08180	1.0
113.02459	5.1
119.03514	3.4
121.06687	0.4
121.51464	0.4
125.02454	3.2
125.09702	0.5
126.62844	0.4
127.03942	0.4
130.10988	0.4
131.03470	0.9
132.79594	0.4
135.08224	0.4
137.09724	3.9
143.03499	1.1
161.04564	2.7
167.10774	0.9
171.10281	5.8
171.12538	0.4
177.12729	0.8
179.05632	3.1
179.10863	0.4
179.14450	1.7
181.12190	0.4
185.04561	0.4
185.11729	0.5
193.12360	0.5
195.13882	7.6
197.11739	1.5
205.12430	0.9
211.13394	1.0
221.06815	0.6
221.12016	0.7
221.15486	5.0
223.13399	3.3
229.19707	0.6
235.08170	3.1
235.16940	0.4
239.12886	1.2
239.16550	1.3
247.20613	1.1
253.09277	5.3
273.18570	1.7
289.17978	0.4
291.19669	19.4
292.19870	0.9
305.08752	0.6
307.90097	0.4
309.20712	100.0
310.21097	7.2
315.23669	0.3
323.10043	0.5
397.13467	14.6
398.13876	0.8
415.14554	30.1
416.14883	1.9
625.92560	0.4
633.29688	0.4
707.35028	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	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13046	0.6
57.03431	1.9
58.00572	0.6
59.01378	23.3
61.98819	2.5
65.88770	0.5
69.03442	1.4
70.38474	0.6
71.01380	13.4
71.05019	1.1
73.02941	3.1
75.00887	0.8
75.75974	0.6
77.16618	0.6
81.03461	0.9
83.05027	0.8
85.02933	3.6
87.00875	2.0
89.02441	12.9
90.45584	0.5
97.02934	4.5
97.06619	0.9
98.22620	1.4
99.00905	0.9
101.01796	0.8
101.02440	12.0
109.06591	1.6
111.08157	5.4
113.02440	7.0
119.03491	3.3
125.02435	3.1
127.07696	0.7
131.03510	0.8
137.09734	1.7
143.03488	1.4
161.04555	3.3
165.12862	0.7
169.12346	1.4
171.10243	1.6
177.12915	0.6
179.05569	3.2
181.12321	0.9
183.13947	0.6
195.13882	5.2
196.14265	0.6
197.11815	19.4
199.13367	1.4
211.13400	2.7
221.15485	4.3
223.13307	3.1
227.12741	0.7
235.08212	4.3
239.12807	0.9
239.16542	1.4
247.20677	1.2
251.16599	0.9
253.09303	3.6
263.20248	0.8
273.18552	1.2
291.19650	18.5
292.19977	1.5
309.20694	100.0
310.21005	8.9
397.13477	17.7
398.13974	1.4
400.42838	0.6
415.14532	30.8
415.20126	1.5
416.14841	2.7
687.05994	0.6
707.34790	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	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03450	0.7
59.01381	22.3
61.98835	2.9
69.03458	1.0
70.66557	1.1
70.67765	0.5
71.01382	13.0
73.02943	2.3
83.01389	1.5
83.05051	0.7
85.02959	3.4
85.03412	0.6
87.00871	2.4
89.02441	12.8
95.05009	0.5
97.02959	1.9
97.06554	1.0
100.74569	0.6
101.02447	12.6
111.00926	0.6
111.08173	1.8
113.02449	6.4
113.09740	1.4
115.07610	0.7
119.03487	3.9
123.04539	0.7
125.02459	2.2
133.76060	0.5
141.01912	0.6
141.09258	0.8
143.03493	1.4
145.05106	0.6
161.04530	2.9
165.12839	2.0
167.10771	0.9
167.14349	1.2
169.12292	0.8
179.05583	2.9
181.12357	2.0
193.12381	1.2
195.13936	1.4
197.11830	8.2
211.13417	3.6
218.64798	0.5
221.15503	1.0
235.08203	3.8
247.20840	1.4
253.09247	2.8
263.07724	0.9
263.20325	0.8
273.18594	1.9
291.19644	26.9
292.19977	2.4
305.08698	0.8
309.20709	100.0
310.21060	9.5
311.22321	1.0
397.13507	22.1
398.13846	1.9
415.14584	23.2
416.15002	1.5
707.34979	16.1
708.35095	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	709.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01399	5.6
61.98835	2.2
67.73723	0.9
68.01415	1.2
71.01379	2.4
71.21353	0.9
71.45335	1.0
73.41705	0.9
81.02177	1.3
82.02961	1.6
82.95383	1.1
87.85122	0.9
96.38405	1.1
96.95994	2.0
98.95652	1.0
99.04503	1.2
101.02449	1.7
101.60674	1.0
105.76029	1.0
106.56458	1.0
122.06093	2.6
124.07688	1.4
126.05585	1.5
128.03445	1.0
134.06151	1.3
135.04515	1.2
144.04495	1.1
150.05658	2.1
156.06604	1.8
161.02380	1.0
162.05617	1.5
162.09302	1.9
172.04031	2.7
174.05647	1.6
176.07216	3.0
190.08734	1.4
192.02693	1.1
204.06662	1.9
215.08200	1.4
216.06609	1.4
227.08066	1.7
235.10899	1.2
243.07790	1.3
253.13470	3.0
254.06987	1.6
255.07750	2.1
259.07098	1.6
269.04626	5.4
269.12814	1.6
273.08572	2.8
281.09195	2.0
283.10889	2.3
295.10840	4.1
296.11746	1.5
297.12393	4.1
299.05630	3.1
309.12381	1.4
322.15613	2.4
324.13367	1.6
334.15350	1.9
335.05743	1.9
339.13422	2.3
351.13290	2.0
361.11917	2.1
366.14621	27.7
367.14899	3.0
374.11169	2.3
378.14633	14.3
396.15720	1.3
410.13263	5.1
422.13293	2.6
425.08633	4.1
442.15909	1.6
443.10324	1.4
454.16431	2.1
455.09872	2.2
472.17258	5.9
528.20117	2.2
545.13007	7.3
649.24762	1.2
679.26202	4.0
691.25903	8.9
709.27209	100.0
710.27588	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	709.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	45.7
59.01381	100.0
71.01011	3.7
71.01380	51.6
71.01774	2.6
73.02943	16.3
81.03446	4.0
83.01383	5.3
85.02959	10.4
87.00893	3.7
89.02443	43.5
95.01395	2.9
96.96026	9.1
99.04514	37.7
100.15890	2.0
101.02442	42.7
111.09238	2.2
113.02444	23.0
119.03514	18.0
120.82047	1.9
123.04504	2.8
125.02442	49.5
135.04506	2.7
143.03500	3.2
161.04573	6.6
178.59143	1.8
179.05623	8.7
208.02876	1.9
353.06699	2.3
372.21085	2.3
544.03711	1.9
547.23938	21.3
548.24060	2.8
565.24976	65.5
566.25372	6.4
607.26276	7.2
647.29108	3.7
709.29059	47.3
710.29620	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	710.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98034	0.5
59.01376	1.9
68.34569	0.5
70.97021	0.5
71.01358	1.0
82.73859	0.5
89.02467	0.5
101.02464	1.0
127.11244	0.9
147.30507	0.5
161.04530	0.7
171.10269	100.0
172.10576	3.0
179.07483	0.6
224.63461	0.6
235.08226	1.8
253.09309	5.1
254.64334	0.7
277.21722	50.0
278.22031	2.6
325.13449	0.5
366.38959	0.6
407.19360	4.1
513.30292	1.1
541.67419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.2
69.12597	11.2
69.13013	7.7
78.95903	3.2
79.69264	3.0
103.01505	4.1
123.53298	2.5
171.10281	87.3
214.95712	3.2
235.08093	4.0
253.09250	7.4
265.61066	2.8
277.21713	100.0
278.22031	6.8
279.23367	15.9
280.23630	9.4
381.39334	2.7
539.83722	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	711.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17309	0.6
57.03408	0.7
59.01375	7.0
59.05066	0.6
60.02121	0.7
71.01370	4.3
71.46056	0.9
73.36210	0.6
74.02461	1.1
85.02966	1.4
86.50501	0.7
89.02431	5.9
90.40419	0.7
90.63546	0.6
91.30581	0.6
96.00896	1.3
101.02435	2.2
101.71531	0.7
104.03558	0.7
105.13002	0.7
113.02451	2.2
117.03462	14.6
119.03527	1.9
119.05012	10.0
126.34927	0.7
133.02921	1.1
135.04572	0.8
136.04280	0.6
145.02951	100.0
146.03265	3.3
159.04555	1.2
161.04700	1.1
161.06099	1.9
163.04013	11.2
179.05673	1.8
187.03984	5.9
205.05023	1.7
211.07654	1.7
223.07613	4.8
237.09192	3.6
241.05104	1.4
253.08502	1.2
256.07333	1.0
265.06796	1.2
270.10864	0.8
271.09674	4.9
283.09711	3.8
309.07501	3.8
325.09247	53.8
326.09659	3.1
327.08716	7.5
400.09735	0.7
489.14145	1.7
600.29108	0.8
667.33997	6.5
711.40741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96028	6.5
59.01379	23.3
61.98828	19.7
71.01369	14.9
71.94811	5.2
89.02454	15.7
101.02426	10.6
110.71256	5.5
113.02454	7.5
119.03497	8.9
182.65158	5.6
260.91898	5.7
277.21741	40.5
336.52112	5.6
397.13474	100.0
415.14609	23.5
587.69202	6.4
598.06641	6.3
675.36359	11.6
711.33643	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24953	3.5
57.16379	4.0
59.01387	22.6
67.75826	4.2
69.14542	25.0
69.32202	4.0
71.01390	13.7
75.91886	5.0
76.37720	4.5
84.89669	3.8
89.02443	8.6
90.37459	4.6
98.22693	9.0
99.56726	4.2
101.02464	8.9
113.02424	8.6
121.93257	4.7
125.02438	6.9
136.93672	4.6
221.06544	4.1
235.08136	5.3
260.25214	4.5
277.21786	38.5
397.13467	100.0
398.13870	9.2
415.14584	24.8
642.64490	5.0
675.35803	9.1
711.33868	60.1
712.34106	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	711.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24421	26.5
62.39003	30.9
70.12754	65.8
70.13113	41.1
72.28848	28.8
76.55674	26.8
105.07041	40.2
109.43244	29.3
171.10301	56.2
181.44563	34.5
215.88693	28.8
239.78479	32.7
252.94962	28.9
267.79932	30.5
309.20743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51471	1.4
59.01380	41.4
61.98839	3.8
69.08652	9.9
71.01382	23.3
73.02953	3.8
78.22865	1.9
85.02976	4.8
87.00840	5.3
89.02444	20.5
89.07629	1.6
96.96005	2.9
97.02933	2.9
101.02456	15.8
113.02454	7.5
119.03480	6.7
125.02415	8.1
130.18123	1.6
132.58064	1.6
143.03545	3.1
161.04529	2.6
167.39775	1.8
179.05629	5.1
182.04938	1.7
192.95850	3.1
235.08133	9.5
253.09435	2.1
255.23282	58.8
256.23416	4.2
305.08688	3.3
397.13489	100.0
398.13815	4.1
415.14551	25.7
517.34308	2.2
653.37592	6.0
737.68341	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	713.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48120	1.9
59.01377	36.7
61.98849	2.9
64.90541	2.1
71.01376	19.8
72.67385	2.3
73.02940	5.3
78.95943	2.0
83.01385	2.5
85.02938	4.3
87.00908	3.5
89.02431	22.6
92.88112	2.3
94.47565	2.3
95.01423	2.2
97.02920	3.6
98.21887	5.1
101.02436	22.5
113.02434	11.0
116.60221	2.1
119.03515	4.1
119.94658	2.9
125.02457	9.4
143.03456	2.5
161.04605	4.5
176.05203	2.3
179.05583	4.5
187.05432	2.6
235.08218	9.7
255.23257	66.1
256.23642	4.3
279.87564	2.2
287.07596	3.1
397.13464	100.0
397.18808	4.7
398.13956	4.1
415.14465	35.1
653.37128	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	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49861	0.8
70.70222	1.9
169.90659	0.8
376.41760	0.9
428.99078	0.9
677.49860	2.7
697.69312	1.0
713.47363	100.0
714.47516	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	714.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63754	0.3
59.01376	0.5
59.09351	0.3
66.03463	0.5
68.05075	0.3
69.50179	0.6
69.50574	0.6
83.05029	0.5
84.61557	0.3
99.00871	0.7
111.04536	0.6
113.06078	0.3
115.08768	4.3
116.07180	4.3
125.07153	0.4
127.05092	0.3
130.08737	57.2
131.07123	0.4
131.09064	1.1
167.11890	2.2
167.94156	0.2
168.13853	0.5
169.13452	1.9
171.15033	1.4
174.11308	1.5
183.15164	0.3
185.16582	9.2
197.12932	7.1
211.14505	0.6
214.10809	0.3
214.15671	0.4
229.15506	0.7
241.17953	0.3
267.57562	0.3
284.23422	11.9
285.23685	0.5
328.22385	100.0
329.18732	0.5
329.22717	7.4
394.01730	0.3
510.68243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.5
61.98829	27.9
70.71265	14.9
73.30130	11.1
78.95926	10.3
83.94353	9.8
89.02447	20.1
152.99557	9.7
154.45944	9.3
173.34076	9.0
183.88663	8.2
235.08238	10.5
253.23686	10.7
254.44434	10.7
281.24786	33.6
397.13556	100.0
415.14694	24.0
582.09265	11.4
596.84528	12.2
715.36658	65.3
716.37500	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	716.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42379	0.1
59.01362	0.1
61.98830	100.0
62.98543	0.2
69.41164	0.5
72.83760	0.1
88.82491	0.1
89.02492	0.2
105.77460	0.1
105.84398	0.1
108.59007	0.1
121.81656	0.1
149.04515	0.1
150.03276	0.2
165.05592	0.2
195.06712	0.2
198.36601	0.1
263.62961	0.1
304.81262	0.1
329.13873	0.1
384.43774	0.1
459.01251	0.1
477.19373	0.2
525.21973	0.3
653.25012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.78080	0.2
69.14369	1.1
98.22620	0.2
119.94639	0.1
126.91699	0.2
153.40184	0.2
170.69786	0.2
191.43237	0.2
233.13213	0.2
351.61172	0.2
392.27994	0.2
499.52942	0.2
501.33585	0.2
554.33807	0.6
605.03644	0.2
653.25024	0.5
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
56.27246	0.1
59.01381	0.4
59.47509	0.1
61.98828	100.0
62.71689	0.2
64.39462	0.1
66.27588	0.1
67.46800	0.1
69.25407	0.8
71.01379	0.4
73.72778	0.2
74.52885	0.1
75.17549	0.1
89.02465	0.2
90.71979	0.1
101.02497	0.2
106.57879	0.1
122.50551	0.1
255.23376	0.4
256.23657	0.4
257.23871	0.2
397.13483	0.2
398.13797	0.3
399.14114	0.6
400.14417	0.3
417.15005	0.2
682.85712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18054	0.6
58.28904	0.4
61.98829	100.0
71.15929	0.7
78.93735	0.5
81.77370	0.4
82.98959	0.5
107.66934	0.5
362.79218	0.6
398.13962	0.6
598.55078	0.6
619.78882	0.6
729.16223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08962	1.0
51.12945	1.0
57.02177	0.9
59.01377	4.4
60.23653	1.1
61.60246	1.0
71.01388	2.7
71.44064	1.2
75.04144	1.1
77.03958	2.5
77.17834	1.0
77.37743	1.0
79.56049	1.1
86.52328	1.0
89.02439	3.3
89.03973	2.1
91.23328	1.0
94.49888	1.0
95.05037	4.9
97.82134	1.1
105.03474	11.7
109.02970	3.7
133.02954	86.1
134.03268	2.4
135.04507	7.5
137.02457	4.1
147.04591	1.7
159.04518	2.9
161.02441	100.0
162.02794	3.8
177.01927	71.9
178.02296	4.5
179.03519	15.9
203.03497	4.0
229.01427	6.2
269.08249	5.6
339.04694	1.6
339.07324	3.7
341.08765	90.7
342.09131	5.9
375.04926	1.5
586.48853	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	718.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01374	40.0
69.03500	1.4
71.01377	31.2
73.02951	6.0
83.01412	3.0
85.02964	5.5
87.00889	6.1
88.31950	1.7
89.02448	23.7
97.02946	3.6
99.00886	2.4
101.02444	24.9
104.90413	1.5
106.06852	1.3
113.02454	12.5
119.03481	7.6
125.02461	8.4
143.03534	2.0
152.56848	1.7
161.04588	6.2
179.05669	7.0
193.26666	1.4
221.06599	2.1
235.08194	11.4
253.09270	3.0
263.07779	2.0
267.43063	1.4
277.21725	74.5
278.21976	3.2
287.07816	2.8
305.08905	4.6
397.13470	100.0
398.13745	4.1
415.14487	37.2
416.14380	1.6
675.36346	2.3
688.29376	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	718.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82697	1.3
59.01382	34.5
61.98838	1.6
70.70827	2.7
71.01379	21.2
73.02949	4.4
81.08359	1.3
83.01367	2.5
85.02955	7.7
87.00883	5.7
89.02439	21.9
97.02948	4.5
99.00879	1.4
101.02438	21.5
113.02448	9.6
119.03494	6.7
125.02447	6.1
143.03511	2.7
161.04587	6.3
167.72253	1.4
173.27246	1.3
179.05580	4.5
223.86276	1.3
235.08260	8.6
253.09338	3.2
277.09366	1.6
277.18677	3.3
277.21719	65.8
278.22092	2.4
287.07742	2.7
289.39621	1.2
293.70398	1.5
305.08725	2.5
392.54459	1.5
397.13486	100.0
398.13525	3.0
415.09198	2.7
415.14554	36.0
476.07104	1.6
603.54480	1.6
656.68152	1.8
675.36584	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	719.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.1
69.20650	2.6
69.21053	4.5
69.90143	1.4
71.01379	4.6
72.61645	1.1
83.75900	1.3
89.02455	8.4
98.22744	2.4
101.02447	3.5
107.38859	1.5
119.03497	2.7
119.52251	1.4
123.22633	1.3
142.76100	1.2
160.89250	1.4
169.08974	1.4
179.05640	2.4
184.82245	1.3
215.03275	4.0
341.10895	20.5
377.08536	100.0
378.08917	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	719.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66710	0.7
57.03445	1.5
58.97327	0.6
59.01377	32.1
61.98832	0.9
71.05024	0.6
72.99315	8.2
79.50369	0.7
83.05009	0.7
85.06590	1.1
89.02419	0.7
107.08669	3.0
108.15061	0.6
109.10233	2.6
117.03463	2.9
119.04981	0.9
121.02959	1.8
121.10212	1.8
125.09721	1.5
133.02882	0.6
135.04517	1.1
139.11258	2.8
149.02394	0.8
155.10751	2.6
159.04457	0.8
161.02448	1.7
163.04012	1.3
165.05527	0.7
183.10258	60.6
184.10570	2.2
201.11322	100.0
202.11670	3.6
227.13109	0.8
243.12361	93.2
244.12637	3.6
247.17393	0.7
268.03748	1.1
269.04529	1.1
281.04584	1.1
283.06119	16.6
284.06287	0.8
287.15030	4.7
293.04681	1.2
295.05991	0.7
311.05621	29.8
312.05966	2.0
323.05630	1.8
341.06714	4.0
418.47998	0.7
431.09827	39.0
432.10321	3.6
478.19995	0.8
479.19318	0.8
587.16516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27387	16.3
52.91563	16.0
59.01377	25.8
61.98824	57.5
66.63704	15.6
68.17023	20.6
68.46474	15.4
69.14258	100.0
71.09797	17.8
77.07229	18.5
78.95915	41.0
101.31482	16.3
124.64021	17.9
171.10272	23.2
181.01855	19.8
212.71501	19.4
293.21210	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	720.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
59.01382	38.6
61.98821	1.0
67.19141	1.0
69.03458	1.5
70.89062	1.5
71.01383	22.4
73.02938	5.2
78.75962	0.9
80.62127	1.1
81.03461	1.7
83.01389	2.3
85.02949	5.4
87.00867	5.0
89.02449	24.1
91.04015	1.2
97.02947	5.1
99.00887	2.0
101.02447	18.0
113.02454	8.3
119.03496	7.1
119.62306	1.2
120.02983	1.0
125.02454	7.9
131.03453	1.2
133.05054	1.1
134.95532	1.2
143.03535	2.7
143.36836	1.0
161.04549	4.8
177.92000	1.1
178.45416	1.1
179.05562	4.7
210.12520	0.9
221.06677	1.8
235.08218	8.6
253.09225	1.5
279.23300	76.6
280.23569	6.7
287.07834	2.7
305.08780	3.1
323.09717	1.8
389.97070	1.0
397.13501	100.0
398.13931	4.7
415.14594	31.3
416.14960	1.7
677.37683	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	720.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41381	0.4
52.05969	0.5
55.01887	0.6
55.39235	0.4
57.03432	0.6
59.01378	37.9
61.98825	1.0
62.20447	0.4
65.94331	0.4
69.03456	1.5
71.01379	26.2
72.99304	0.6
73.02950	4.9
77.92678	0.5
81.03456	1.5
81.15097	0.5
83.01387	2.7
85.00426	0.8
85.02954	5.6
87.00869	4.8
89.02439	23.0
95.01387	1.8
97.02954	4.1
98.22791	0.8
99.00882	1.6
101.02438	21.6
103.03988	0.6
109.02971	0.6
111.04504	0.8
113.02440	10.0
113.03645	0.6
115.04005	0.7
119.03490	7.0
125.02452	9.0
127.03938	0.6
131.03493	0.7
133.05087	0.7
143.03484	3.3
144.43674	0.5
146.29979	0.5
149.04498	0.6
161.04578	4.9
167.03505	0.7
169.05151	0.6
179.05598	4.1
185.04562	0.5
217.07098	0.7
219.04990	0.5
221.06700	1.8
235.08200	10.0
236.08607	0.6
253.09180	2.5
263.07642	1.1
279.23279	75.6
280.23587	5.5
287.07681	2.9
296.68796	0.5
305.08667	4.2
323.09894	0.8
349.36615	0.5
379.12534	1.3
397.13467	100.0
398.13824	6.6
415.14554	32.6
416.14642	2.4
527.77954	0.6
677.38147	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	720.503
Annotation	Unknow
Peak:m/z	Relative Intensity
72.89951	0.3
81.03452	2.6
83.05028	8.6
87.62450	0.2
100.86263	0.3
117.33009	0.3
125.07168	0.6
128.11349	0.2
207.15004	0.6
224.17693	1.5
225.16058	7.3
225.18213	0.4
226.16316	0.6
309.21722	0.4
367.26941	1.1
433.31931	0.3
450.34332	0.6
451.32922	4.1
452.33176	0.6
550.43323	0.5
659.48431	1.3
677.49664	100.0
678.49982	20.6
720.49658	1.4
721.50470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68088	1.5
55.16678	1.4
59.01378	3.9
61.98789	1.7
62.40862	1.4
63.10505	1.4
69.07735	1.4
71.01396	2.2
73.45051	1.5
89.02393	1.3
90.22035	1.3
96.00932	1.6
96.96008	16.0
101.02446	1.7
115.62754	1.7
123.98697	1.4
126.69653	1.4
215.03549	9.1
227.00175	1.6
305.10657	14.2
337.07056	3.7
377.06464	2.2
392.05493	1.8
393.06073	6.7
394.06729	7.5
405.06091	3.6
409.02161	3.6
435.07321	2.2
451.06577	9.0
463.06647	3.8
465.08295	2.3
481.07938	12.5
482.07510	1.9
493.07742	8.6
511.09018	7.0
523.08960	2.9
535.08978	2.1
541.10394	7.4
553.10120	3.9
571.09967	2.9
601.09412	5.1
628.84650	1.5
631.13055	13.0
661.12152	5.2
703.14514	7.7
706.88843	1.8
720.38776	2.3
721.16162	100.0
722.16626	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	721.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
71.44761	1.6
72.00883	1.2
73.04084	1.7
77.99800	1.2
87.05635	3.7
96.00906	5.4
98.02469	1.7
110.02498	1.6
116.07171	3.2
129.10251	1.5
130.08740	5.5
139.08754	2.5
141.10347	2.3
147.04512	5.2
154.20854	1.5
164.07188	14.9
168.11385	3.8
171.04480	1.4
186.12477	15.8
187.10971	1.8
215.03493	9.1
225.13583	5.5
310.08481	1.8
323.05511	1.5
324.11850	2.8
334.13596	2.5
334.17709	51.4
335.05713	2.0
335.13528	1.9
335.17990	12.7
336.06219	2.4
337.07074	5.1
351.04727	1.8
365.06650	2.5
393.05933	4.2
394.07114	7.0
405.05826	3.3
409.02173	6.6
421.01816	1.6
435.07410	2.3
451.02515	1.4
451.06592	8.8
463.06961	2.1
465.08350	2.3
481.07776	14.0
493.07895	8.9
511.08850	7.4
541.07275	7.3
553.09601	2.9
571.09363	2.7
601.11725	16.7
631.13403	7.1
661.10785	9.8
702.33160	3.0
703.15216	8.1
703.33301	3.5
720.34271	2.1
721.16223	100.0
721.35645	3.3
722.16528	9.7
753.90674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01377	29.4
61.98810	1.0
66.20216	0.5
69.37135	1.3
69.37522	0.9
71.01385	2.7
85.02950	0.7
89.02454	1.8
99.04549	1.0
101.02431	1.9
113.02450	1.7
119.03475	1.2
123.04491	0.6
125.02467	0.8
127.11281	2.9
139.11284	1.4
155.10728	1.1
157.12337	15.5
158.12619	0.9
162.47749	0.5
166.29381	0.6
179.05603	0.5
185.11823	13.9
186.12164	1.0
201.11269	0.8
203.12874	100.0
204.13214	3.7
245.13937	65.1
246.14275	2.6
268.03836	3.4
269.04489	1.7
292.28796	0.5
431.09766	3.5
499.38245	0.5
559.27472	1.2
577.28381	2.6
685.40009	0.6
721.33179	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57381	0.5
59.01373	0.8
62.50034	0.6
63.02377	1.2
65.00336	0.7
69.00949	0.5
70.80378	0.8
83.94728	0.6
107.01376	1.0
117.03466	3.6
131.00053	0.5
137.35863	0.5
148.61469	0.5
149.02493	0.6
151.00356	1.2
159.04478	0.5
161.02461	0.9
181.06512	0.7
183.04456	0.7
197.05873	0.6
225.05482	1.5
227.03596	0.9
268.03787	5.9
269.04541	100.0
270.04797	2.9
291.06485	0.6
425.08752	1.1
462.34842	0.5
545.13135	0.8
551.52332	0.6
723.21399	36.2
724.21698	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	723.4324
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
51.07049	1.1
59.01381	8.3
61.98812	3.3
63.52873	1.1
68.69817	1.3
71.01375	4.5
71.31579	1.2
73.73785	1.1
83.01396	1.5
85.00426	3.6
85.02934	2.1
87.00889	1.3
89.02444	2.5
98.49606	1.2
100.99333	1.1
101.02436	4.1
111.08146	1.4
113.02444	3.7
119.03474	1.5
125.10404	1.3
143.66649	1.1
162.34941	1.2
163.11128	1.3
165.12836	14.5
169.01817	1.1
183.13902	100.0
184.14200	5.4
209.11855	2.5
227.12997	6.5
235.08215	4.4
253.09319	3.5
277.21762	49.7
278.22079	3.5
319.27515	1.4
417.44333	1.7
445.20877	2.2
463.21640	4.1
577.45453	1.4
723.43262	78.0
724.43762	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46215	2.5
59.01357	8.9
61.98825	13.4
68.08427	1.9
70.47555	2.8
71.01364	7.0
89.02462	2.7
101.02420	5.8
111.08167	2.7
113.02422	2.7
165.12828	10.1
171.56621	2.3
183.13905	79.2
184.14175	2.8
209.11801	3.3
227.12880	6.6
235.08109	3.6
253.09218	5.7
277.21732	92.2
278.22049	9.0
463.21603	4.3
723.43182	100.0
724.43292	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45209	1.1
59.01364	2.3
60.59549	1.1
64.72891	1.5
69.38598	5.6
80.21835	1.2
80.32975	1.2
82.69007	1.1
93.03455	1.5
99.69286	1.2
109.18427	1.0
116.49406	1.2
117.03476	7.3
119.05035	2.1
135.04506	3.0
147.04410	1.4
149.02435	1.3
161.02443	4.9
163.04016	1.8
175.04013	3.9
177.05565	1.9
179.03474	1.4
189.54283	1.1
205.05115	1.2
221.04541	1.4
251.07098	2.4
253.08592	1.6
267.06818	1.8
268.07196	1.5
282.05249	4.1
283.06070	4.8
295.06128	6.3
296.06787	5.0
297.07681	26.0
307.06052	3.1
309.07635	3.6
311.05551	4.5
323.05783	5.4
324.06256	2.3
325.07190	10.2
328.05801	3.1
335.05487	2.4
337.07129	4.7
341.06335	2.1
342.69849	1.3
353.06628	45.4
354.07108	2.7
355.08224	1.3
365.06659	6.3
383.02713	1.7
383.07666	34.3
384.07791	2.6
390.45349	1.2
395.07751	4.0
413.08658	3.3
443.09763	16.1
473.10815	7.4
599.55658	1.3
600.80585	1.4
725.19287	100.0
726.19446	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	725.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18306	0.8
59.01374	2.4
69.33456	4.8
71.01365	1.8
74.57121	0.8
80.88529	0.9
96.73939	0.9
98.22631	1.4
117.03468	4.8
134.66119	1.0
135.04472	1.0
145.02982	6.0
145.03918	1.1
159.04572	1.6
161.02457	2.2
163.03996	1.7
175.03995	2.7
177.05585	1.3
179.03358	0.9
191.03474	1.2
203.03494	2.2
204.47960	1.0
229.01373	1.1
268.07343	1.4
281.04498	1.3
282.05350	3.1
283.06168	2.8
295.06064	8.7
296.06897	18.8
297.07629	13.3
307.06049	2.5
309.07486	1.6
311.05676	3.3
323.05637	6.8
324.06238	1.9
325.07132	4.3
328.05829	2.3
335.05655	2.3
337.07089	2.3
339.08945	1.0
351.04916	1.3
353.06622	24.4
354.07126	1.8
357.09805	1.7
365.06708	4.8
368.10745	1.0
383.03348	1.6
383.07761	18.5
384.08084	2.4
395.07599	2.5
399.25986	3.0
413.08737	2.4
425.08640	1.8
443.09619	6.5
473.10928	3.2
515.12213	6.6
516.12390	1.1
545.13068	8.0
563.13989	3.2
595.16034	1.0
605.15112	1.9
635.15997	1.1
725.19305	100.0
726.19647	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	725.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.5
59.40952	0.3
67.24495	0.3
71.01373	2.1
71.55556	0.3
85.02948	0.6
89.02435	1.6
96.96005	0.5
101.02457	1.0
101.77889	0.3
105.03454	0.5
113.02438	1.1
114.05601	0.4
117.03463	16.1
119.03558	0.3
119.05031	4.7
123.04548	0.3
133.02980	1.2
133.06581	0.5
145.02946	100.0
146.03305	3.1
146.31375	0.3
159.04486	0.9
161.02493	0.4
161.04768	0.3
161.06094	1.3
163.03999	10.7
175.02464	0.4
175.03909	0.4
177.01878	0.5
177.05595	0.3
187.04010	4.1
190.02795	0.4
191.03642	0.2
201.13455	0.2
205.05031	1.9
223.06116	0.4
235.06157	0.9
243.11629	0.3
243.17120	0.5
265.07135	1.5
271.36221	0.3
282.05252	0.7
283.06027	0.8
295.06107	1.1
296.06946	3.3
297.07608	1.1
307.05887	0.4
311.05472	0.5
323.05511	1.6
324.06262	0.4
325.09268	46.4
326.09827	1.9
326.12967	0.3
328.05704	0.4
335.05441	0.4
337.07108	0.4
339.08725	0.9
353.06647	3.1
354.06998	0.4
365.06595	1.0
383.07645	2.9
384.08038	0.4
387.12494	0.3
395.07486	0.5
399.16052	0.4
413.08850	0.6
425.08325	0.4
443.09680	0.7
473.10971	0.5
515.11908	0.8
545.13123	1.7
563.13629	0.6
663.24323	0.3
725.19299	13.4
726.19226	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	725.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.3
60.59542	3.8
61.98820	14.7
71.01385	15.1
73.39162	4.1
84.23976	4.0
89.02449	10.4
98.22604	11.1
101.02458	6.6
113.02422	5.4
120.95168	4.1
153.39644	4.4
153.40913	3.9
165.12900	11.4
235.08237	6.0
247.20685	5.1
291.19656	100.0
392.52740	4.8
397.13550	77.4
398.13879	9.1
403.51776	3.9
415.14642	41.4
593.01935	4.6
596.93054	4.4
679.33875	5.0
689.33698	18.7
725.31494	91.6
725.43408	7.5
726.31744	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	725.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03444	1.1
58.00580	0.4
59.01379	11.6
61.98833	1.5
66.30026	0.3
69.03455	0.8
71.01382	7.5
71.44887	0.3
72.99303	0.3
73.02937	1.0
73.89833	0.3
75.00862	0.4
78.54835	0.3
81.03468	0.5
83.01395	1.0
83.05031	0.6
83.42728	0.3
84.02142	0.5
85.02950	3.8
87.00884	1.3
89.02450	5.8
95.01373	0.5
95.05040	0.5
96.96060	0.3
97.02955	0.8
97.06583	3.2
99.00876	0.3
99.04523	0.5
101.02449	5.2
110.19071	0.3
113.02420	2.5
119.03486	2.0
123.08166	0.4
125.02454	1.5
125.03202	0.2
125.09670	0.7
125.67864	0.3
127.11283	1.2
131.76581	0.3
143.03494	0.9
149.04562	0.4
155.10768	1.0
155.14482	0.3
161.02310	0.4
161.04568	1.5
165.12851	0.7
167.14433	0.7
171.10265	7.4
177.12828	0.9
179.05643	1.8
181.12418	0.4
183.13885	3.2
185.11787	1.3
193.12300	1.2
197.11772	0.5
204.03072	0.3
209.11807	1.2
211.13394	16.9
212.13768	0.5
221.11884	3.0
229.14441	13.5
230.14818	0.6
235.08197	1.5
239.12970	1.5
253.09311	2.5
267.48279	0.3
291.19702	3.3
297.07834	0.3
305.08749	0.3
309.20789	1.6
323.09653	0.4
327.21753	100.0
328.22052	7.1
353.06653	0.6
383.07803	0.6
397.13498	1.9
398.13693	0.4
415.14557	27.7
416.14899	1.8
504.09265	0.3
510.51273	0.3
545.28943	0.4
563.30859	0.4
635.14337	0.7
725.36261	7.0
726.36676	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	729.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	0.4
59.01375	5.0
66.42136	0.3
69.38416	1.8
71.01376	2.2
85.02939	0.5
87.00854	0.4
89.02435	1.8
101.02428	1.3
113.02451	0.9
117.03465	17.1
118.03777	0.5
119.03540	0.5
119.05026	5.4
127.05093	0.5
128.03503	0.5
133.06573	0.6
133.83588	0.3
135.04489	0.4
145.02948	100.0
146.03281	3.7
159.04475	0.8
161.06062	1.3
163.04002	10.4
165.71065	0.3
181.97035	0.3
187.04015	4.4
196.08359	0.3
205.05029	1.9
223.13383	1.2
235.06262	0.4
241.14423	0.5
265.07159	1.8
287.09158	0.6
325.09259	43.1
326.09671	3.0
327.13330	0.4
343.07718	0.4
403.19785	11.7
404.20258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.99789	0.2
69.11704	0.9
69.12104	0.4
69.26299	0.2
98.22108	1.0
116.81614	0.2
237.68118	0.2
258.20694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74522	0.3
54.28909	0.2
61.98831	100.0
69.12486	1.7
80.96517	0.6
85.06596	0.5
87.05661	0.5
112.70747	0.3
122.09009	0.3
129.10385	0.4
130.08771	0.6
131.07164	1.1
139.08766	0.3
154.48343	0.2
242.18924	0.5
314.20917	0.3
356.25650	0.8
427.29584	0.6
467.28876	0.7
527.34564	0.7
541.36353	0.3
666.59314	0.3
694.43335	1.3
731.37506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15004	0.2
54.23221	0.2
61.98831	100.0
68.05392	0.2
69.94576	0.6
80.96523	0.4
88.98795	0.2
108.08046	0.2
188.83878	0.2
193.26901	0.3
198.50940	0.2
246.83293	0.2
278.98770	0.2
314.71024	0.2
432.01474	0.3
599.65076	0.3
605.73706	0.3
731.37213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03511	0.9
57.03446	0.8
57.86763	0.9
59.01380	24.2
60.05830	0.8
61.98826	12.1
62.62659	0.9
69.11266	0.9
70.75301	1.0
70.75634	0.9
71.01378	14.6
73.02966	2.2
83.01389	2.4
85.02962	3.2
87.00884	3.4
89.02449	13.9
95.01391	1.0
96.96075	0.9
97.02930	1.5
99.22889	0.7
101.02449	11.6
113.02472	6.5
119.03517	4.2
125.02457	4.6
143.03499	2.0
150.10594	1.5
161.04576	4.1
165.11507	1.8
165.12825	17.7
179.05666	2.6
190.10402	0.9
221.06570	1.3
235.08202	6.2
236.59772	0.9
247.20607	8.3
249.73425	0.9
253.09351	1.3
270.06161	0.9
273.18619	4.7
287.07584	0.9
291.19656	100.0
292.20065	7.5
305.08804	1.8
397.13480	58.0
398.13733	3.5
415.14572	31.9
416.14975	1.5
473.52148	1.0
689.34167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.4
60.78140	0.1
61.98827	100.0
69.32320	0.6
71.01385	0.2
75.30556	0.1
79.73433	0.2
85.02942	0.2
96.95979	0.2
98.22712	0.3
101.02431	0.2
128.03510	0.2
393.80389	0.2
669.41162	0.2
732.40460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01381	17.1
61.94619	0.8
61.98843	3.9
65.99886	0.7
71.01379	11.1
71.47031	0.9
73.02946	2.8
83.01368	1.3
85.02960	2.8
87.00867	1.6
89.02445	10.3
97.02946	1.6
101.02444	8.4
113.02454	4.1
116.92879	1.0
119.03503	2.4
120.61294	0.7
125.02419	2.9
131.03448	0.8
143.03464	1.6
161.04601	1.6
164.54317	0.8
179.05591	2.0
179.14450	0.8
195.13893	5.6
196.14563	1.8
223.13312	4.6
235.08241	3.7
253.09370	1.7
275.20047	3.4
293.21228	100.0
294.21597	6.3
320.29688	1.1
397.13492	29.3
397.18796	1.4
398.13657	1.4
415.14563	32.4
491.17673	1.0
571.77252	0.9
625.60187	1.0
646.09241	0.8
691.35480	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	735.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03445	1.1
58.42320	0.7
59.01380	45.6
69.03450	1.2
69.26357	3.9
71.01382	26.5
72.99290	0.8
73.02946	5.8
75.00851	0.9
81.03448	2.0
83.01391	3.7
85.02951	6.9
87.00877	5.9
89.02448	25.8
95.01400	1.5
97.02953	5.2
99.00893	1.6
100.57625	0.6
101.02438	21.7
102.81512	0.9
113.02446	12.7
119.03510	6.2
119.13834	0.6
125.02456	8.7
131.03523	1.6
131.83893	0.7
133.05113	0.8
135.23135	0.8
139.04010	1.0
141.01884	0.7
143.03505	4.2
161.04568	6.5
179.05605	4.5
221.06645	1.8
235.08226	11.9
253.09303	3.1
263.07687	1.9
277.21716	71.9
278.22131	3.6
287.07736	3.3
305.08792	4.0
323.09723	1.6
397.13492	100.0
398.14001	4.8
415.14557	33.1
416.14951	2.2
675.35962	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	735.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.17067	1.3
59.01377	43.0
61.98830	2.9
69.03447	1.4
71.01379	27.8
72.99287	1.5
73.02942	5.4
74.84306	1.5
75.26742	1.5
81.03478	1.5
83.01387	4.1
85.02942	6.1
87.00875	6.3
89.02439	25.0
89.14027	1.3
93.71797	1.4
97.02957	3.6
101.02438	21.8
113.02431	9.1
116.56630	1.2
119.03500	9.3
125.02411	8.4
133.05026	2.2
137.04128	1.4
143.03476	3.9
161.04514	5.9
179.05566	4.0
185.20399	1.4
198.45642	1.3
199.86900	1.3
235.08244	7.8
253.09328	2.7
277.09518	1.4
277.21713	66.3
278.21954	3.7
287.07645	3.2
305.08676	4.2
397.13464	100.0
398.13788	6.0
415.14484	33.0
416.15039	1.9
436.85275	1.6
675.36481	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	48.2
66.24363	0.7
66.47929	0.7
69.03454	1.0
71.01381	27.0
72.99310	1.1
73.02957	4.3
81.03465	1.1
83.01393	3.3
85.02939	5.2
87.00871	5.6
89.02444	23.7
95.01395	1.7
97.02960	3.7
99.00884	1.2
101.02450	21.4
107.40280	0.7
111.04523	0.7
113.02450	9.7
119.03510	5.1
125.02459	8.4
131.03500	1.3
141.01723	8.6
143.03470	3.4
151.74495	0.7
154.95079	0.7
161.04549	4.9
167.03419	0.9
179.05627	4.7
217.07019	0.8
221.06627	1.2
235.08255	9.4
253.09258	2.5
262.63922	0.7
263.07669	0.8
279.23288	82.2
280.23605	6.1
287.07733	3.5
305.08789	4.8
379.12280	0.8
397.13492	100.0
398.13809	5.7
415.14536	33.6
416.14822	1.7
620.88440	0.8
677.37915	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	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19490	0.2
59.01379	12.6
59.13686	0.2
60.01730	0.2
81.03455	4.4
82.06635	0.4
83.05026	12.2
98.22645	0.3
107.06108	0.2
108.04555	0.4
125.07184	0.8
126.05628	0.2
141.56799	0.2
143.08275	0.3
207.14966	0.9
224.17711	1.7
225.16072	9.0
225.18301	0.4
226.16391	0.4
242.18709	0.4
289.05673	0.3
301.40497	0.2
309.21698	0.7
324.26749	0.3
333.22766	0.5
341.29272	0.4
367.27188	1.4
433.31784	0.7
443.32874	0.2
450.34454	0.8
451.32861	5.9
452.33124	0.7
550.43243	0.8
559.39844	0.3
565.44421	0.2
593.43842	0.6
611.13910	0.2
659.48798	1.4
659.59009	0.3
660.48157	0.3
677.49664	100.0
678.49988	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	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69941	0.5
59.01375	0.8
61.98828	100.0
70.63631	0.5
71.96833	0.4
78.95898	0.8
87.99123	0.4
95.08956	0.5
102.97408	0.4
152.99663	0.7
170.12578	0.4
209.72949	0.5
236.38603	0.5
278.22412	0.5
279.23288	1.7
345.72754	0.5
400.14343	0.5
566.23297	0.5
625.23438	0.6
726.88995	0.6
738.51379	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	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11002	0.4
58.66356	0.4
59.01388	0.8
60.01754	0.5
61.98829	100.0
66.26566	0.4
78.95914	0.6
86.02927	0.4
142.58788	0.4
277.21661	0.5
279.23288	2.2
313.51898	0.4
336.21277	0.4
399.13544	0.5
473.55423	0.5
738.50970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5077
Annotation	UNII-43VIE2HQJQ
Peak:m/z	Relative Intensity
70.44698	23.4
78.95892	49.5
94.27647	24.6
152.99582	28.2
193.67509	24.2
195.70244	25.7
261.72589	26.4
279.23334	100.0
416.78485	26.8
625.94116	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06140	0.7
70.83553	0.9
74.95171	0.7
76.18000	0.7
93.03491	2.0
113.02560	0.8
117.03471	16.8
117.04272	1.4
130.26976	0.8
134.03787	2.0
161.02419	1.3
173.02411	5.0
179.94125	0.8
185.02504	2.3
186.85611	0.8
187.04024	2.1
189.01997	2.4
197.02431	1.4
203.03532	1.2
215.03511	2.9
217.01460	3.3
241.01234	0.9
289.04965	0.8
305.04547	7.8
306.05237	5.0
307.06107	7.7
308.06152	0.8
335.05585	22.1
336.05936	2.2
338.04453	0.8
353.06415	0.9
365.06705	12.0
366.06955	1.0
395.07840	1.2
425.08777	100.0
426.09161	8.9
455.09735	2.2
545.12988	99.9
546.13379	12.7
563.13647	3.5
739.19159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09262	1.1
58.02975	2.5
59.01374	2.3
67.19910	1.2
73.04073	4.2
89.02476	1.2
97.04079	3.1
98.02477	2.5
110.02466	6.2
113.07227	8.0
115.05144	11.1
115.08782	2.4
125.07262	1.9
126.06738	1.4
127.05129	7.3
133.02950	1.5
139.05089	1.5
141.06709	3.1
144.07787	3.5
145.09831	90.9
146.10196	2.9
151.12366	1.5
153.06699	21.3
161.02467	2.9
167.11937	2.2
168.07719	3.2
169.06131	2.4
170.09357	3.8
182.09354	1.3
183.10112	3.9
183.14995	2.6
184.10873	1.3
186.08838	2.3
194.13083	1.4
195.11374	4.4
200.17691	17.9
210.15933	1.4
212.13968	1.7
223.12090	1.7
224.10387	5.7
226.15579	3.6
241.12990	1.8
244.16554	1.7
252.13553	1.5
265.04996	1.9
267.06470	1.6
292.16754	2.0
293.04410	1.7
297.15546	1.5
297.22980	22.1
322.15140	7.2
323.13434	3.8
340.16122	5.3
341.21881	10.0
353.14825	2.4
380.19324	1.5
398.84048	1.5
438.27155	4.3
495.29550	1.5
549.26709	5.8
572.89478	1.5
665.36066	4.4
677.36407	2.4
695.37335	47.3
696.37122	6.1
739.39948	100.0
740.28314	2.2
740.40314	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.1
59.01385	14.6
61.98830	57.1
67.95981	1.6
68.80830	1.9
69.17474	11.7
70.02956	3.3
71.01379	8.2
76.02903	2.1
81.02210	2.8
82.02981	8.3
87.05640	9.7
89.02415	4.0
96.00913	19.3
98.02478	7.2
101.02461	2.5
103.00370	3.0
108.08212	2.3
109.01706	2.4
113.03551	3.0
113.07207	3.9
114.02010	1.8
114.05628	3.8
115.08817	3.2
129.10345	2.6
130.08743	27.0
138.09227	3.4
140.44441	1.8
141.06744	2.3
151.08792	9.7
152.07169	3.7
155.11981	3.7
165.10326	17.4
166.08746	12.2
167.04649	2.4
167.08243	5.0
181.13483	7.4
182.12930	2.5
183.11395	5.3
183.15024	24.9
191.08287	4.0
195.07759	17.1
195.09430	2.2
195.11398	14.7
208.13350	4.2
209.09314	13.6
227.14015	100.0
228.14420	5.0
239.12929	2.4
253.16835	2.1
271.02774	2.0
326.21021	2.9
342.88602	1.8
423.22479	15.3
440.25183	4.0
517.25513	3.1
553.33368	2.7
577.28821	2.5
633.32404	33.1
634.33490	2.8
651.33423	2.4
721.38898	86.9
722.39557	12.4
739.40070	80.1
740.40289	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
57.03447	1.2
59.01381	7.2
61.98824	2.1
68.34190	0.6
68.70219	0.8
71.01376	4.1
71.05024	2.1
83.95135	0.7
85.02937	1.0
89.02431	3.3
95.05045	0.7
97.02939	2.7
97.06596	1.7
99.00878	17.6
101.02429	3.0
109.06593	1.9
110.03679	1.3
113.02496	1.4
123.08135	1.5
125.09735	5.6
127.11246	0.9
133.86501	0.6
142.02686	0.8
149.19215	0.7
155.14435	1.1
155.39198	0.7
163.11264	7.9
164.83961	0.8
178.30840	0.8
181.12335	17.2
199.13394	14.3
207.10246	26.5
208.10580	0.8
217.00383	0.7
225.11320	41.5
226.11772	1.1
231.48824	0.7
243.12355	22.7
250.69743	0.7
253.09207	1.6
277.21713	15.8
279.23212	0.7
326.48410	0.8
461.20175	3.8
479.21292	8.2
583.49945	0.9
739.42737	100.0
740.43018	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
59.01381	9.1
61.98829	10.4
66.58913	1.0
69.12183	6.9
71.01387	5.1
71.05003	4.2
73.02935	1.3
83.05025	1.5
85.02957	1.6
87.00873	1.4
89.02441	3.0
97.02937	3.2
97.06593	4.6
98.21786	1.6
99.00878	18.4
101.02431	4.3
106.94412	0.8
109.06599	1.2
110.03726	1.1
113.02406	2.1
123.08167	2.8
125.09697	7.8
135.03252	0.9
153.09093	1.0
153.69635	0.9
161.04536	1.5
163.11296	14.1
164.11610	1.0
181.12344	19.7
199.13380	7.3
207.10246	23.9
208.10507	1.9
225.11314	29.5
226.11505	1.1
235.08273	1.4
243.12346	12.4
253.09221	1.8
277.21735	34.5
278.22064	2.4
281.24786	2.1
284.69681	0.9
291.53662	0.9
382.40607	1.0
397.13504	3.7
415.14447	1.5
461.20093	3.1
471.47775	1.0
479.21289	3.5
568.93994	1.1
688.66748	1.2
714.98999	1.1
739.42719	100.0
740.43079	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	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.34270	0.0
61.98827	100.0
62.98524	0.1
71.01398	0.1
83.65221	0.1
89.02438	0.1
97.75506	0.1
98.21878	0.2
101.02500	0.1
101.78854	0.1
179.03156	0.1
235.08276	0.1
249.88765	0.1
268.13385	0.1
279.23410	0.2
280.23792	0.2
281.23975	0.1
373.21512	0.1
397.13617	0.1
398.13727	0.1
399.14023	0.3
400.14227	0.1
417.15106	0.1
746.14020	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56470	0.1
59.01369	0.3
59.15715	0.1
61.98827	100.0
62.98528	0.1
71.01402	0.1
84.94479	0.1
88.88327	0.1
101.02466	0.1
115.74412	0.1
125.02422	0.1
137.89084	0.1
154.99806	0.1
168.15614	0.1
188.62077	0.1
259.93973	0.1
265.52084	0.1
279.23462	0.2
280.23712	0.3
281.24023	0.2
367.46048	0.1
397.13580	0.2
398.13828	0.3
399.13962	0.3
400.14700	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98827	100.0
67.34868	0.1
70.96700	0.2
76.68169	0.1
83.05011	0.1
142.23557	0.2
194.62660	0.1
225.60037	0.1
256.73431	0.1
286.83618	0.1
678.50531	0.2
679.50427	0.4
680.50677	0.8
740.49426	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	743.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.2
61.98830	0.7
66.41113	0.3
69.03448	0.8
71.01367	1.2
75.27317	0.4
79.60815	0.4
85.02970	0.6
89.02439	0.8
93.03490	0.6
95.01400	0.4
99.00870	1.0
108.02185	1.1
109.02954	5.0
113.02470	0.5
115.00361	1.5
121.02951	9.0
123.04485	0.8
124.89225	0.4
133.02965	1.0
135.04520	2.3
145.03093	0.4
159.04526	1.0
161.02452	3.7
161.04601	0.4
161.06050	1.9
169.06607	0.6
174.03317	0.5
175.03993	1.3
179.03462	1.4
179.05673	0.6
185.06120	0.8
187.04074	2.0
187.07628	0.8
188.04749	1.4
189.05368	0.5
197.06026	1.2
200.04840	0.5
213.05554	1.1
215.07156	1.2
223.06064	0.9
224.04716	0.4
225.05606	2.0
226.06340	3.8
241.05063	3.9
242.05818	6.7
243.06609	100.0
244.06902	4.0
269.08151	0.8
271.09760	6.5
277.05698	1.1
279.06619	0.6
282.05429	1.2
297.07706	8.1
298.08426	0.5
315.08749	1.4
341.06418	14.4
342.06906	0.9
357.09723	1.3
359.07715	7.8
401.09137	0.6
401.20892	0.7
452.62396	0.5
461.10873	1.1
503.12161	0.5
521.13190	0.6
609.35040	0.5
621.14294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
69.03460	0.6
69.84785	0.5
69.85135	1.6
71.01382	2.4
77.04681	0.5
85.02933	0.7
89.02427	1.3
93.03458	0.9
96.96000	0.5
99.00871	1.4
108.02171	1.4
109.02969	5.8
113.02432	1.1
115.00386	2.4
119.03494	0.8
119.04995	0.5
121.02164	0.6
121.02968	8.9
123.04486	0.6
128.03476	0.5
133.02962	3.4
135.04536	5.6
143.11899	0.6
147.04544	0.5
149.06024	0.6
157.01233	0.5
159.04514	1.6
161.02448	15.5
161.06096	1.5
162.06902	0.9
173.06033	0.9
175.04012	1.3
179.03520	4.6
179.05025	0.7
185.06026	0.5
186.99486	0.5
187.03986	2.8
188.04782	2.0
195.04553	0.6
197.06061	0.9
203.03409	0.6
213.05542	1.8
215.07091	1.1
217.03493	0.6
224.04796	0.6
225.05521	1.9
226.06325	4.3
226.39659	0.5
227.06741	0.8
232.30350	0.6
241.05080	4.9
242.05818	7.9
243.06602	100.0
244.06979	3.8
251.07130	0.5
269.08105	1.0
271.09750	9.1
272.10190	0.5
277.05502	2.6
278.15332	0.6
279.06659	0.9
282.05423	1.7
282.36890	0.5
297.07635	12.1
315.08783	2.2
325.37912	0.5
341.06509	7.1
341.09021	4.3
357.09683	1.2
359.07718	12.3
360.07721	0.8
400.21896	0.6
401.08853	0.7
461.10995	1.3
490.08502	0.6
521.12634	2.4
743.39954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27624	0.4
59.01380	4.3
59.11831	0.4
69.80073	1.5
71.01395	2.3
74.02491	0.8
78.40005	0.4
85.44743	0.4
88.04047	1.0
89.02446	1.5
101.02445	1.1
108.02174	0.5
109.02969	1.5
113.02476	1.1
119.03539	0.7
121.02927	1.1
125.02415	0.4
132.02159	0.6
133.02957	20.7
134.03310	0.7
135.04529	11.8
135.05502	0.9
149.06096	0.8
161.02443	100.0
162.02805	4.1
175.04074	0.8
177.01953	2.3
177.05582	1.8
178.02341	0.8
179.03511	23.4
180.03871	0.9
203.03505	1.4
209.04549	0.5
221.04619	1.6
239.05504	0.6
241.05144	0.7
242.05890	1.4
243.06583	7.2
269.08130	0.6
271.09732	1.5
281.06674	1.4
297.07639	1.6
312.79288	0.5
341.08798	52.8
341.17694	1.0
342.09076	3.6
357.21634	0.6
359.07813	3.5
401.24780	2.4
521.12885	0.5
567.12170	0.6
639.17657	0.6
653.14996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.4
61.98833	17.8
70.78826	5.1
71.01379	12.7
78.95903	5.3
89.02427	10.2
101.02482	6.3
112.68497	3.7
125.02381	4.0
130.18604	4.3
179.05643	4.5
179.10349	3.7
185.62152	4.7
291.19717	20.5
309.20697	100.0
397.13571	21.9
397.49847	4.5
415.14642	26.0
707.34998	100.0
708.35632	11.1
718.94495	4.4
743.32935	27.1
751.36182	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	743.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13519	6.0
57.03458	8.0
59.01373	31.8
61.98830	44.8
65.15628	7.0
71.01360	15.2
74.76998	6.2
89.02435	16.0
96.96019	11.3
101.02426	8.9
137.24565	7.8
172.02115	7.2
198.87619	6.2
291.19626	14.0
309.20740	100.0
397.13519	21.9
415.14484	42.6
545.29358	8.0
707.35217	20.0
736.27960	7.3
743.32483	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01379	1.7
67.01892	1.3
70.66805	0.6
71.01362	1.1
72.99297	0.8
73.02915	0.7
78.95879	1.6
85.02947	12.7
87.00872	98.9
88.01223	1.2
91.58011	0.7
96.96950	0.9
101.02484	1.0
102.94383	1.6
105.70253	0.6
111.00877	53.7
112.01199	1.4
117.01929	1.2
122.36053	0.7
124.96450	1.3
129.01932	3.2
131.08342	0.7
132.03070	1.0
133.01419	2.3
142.97513	13.2
166.97505	10.2
168.95442	5.1
173.00894	3.7
184.00133	0.7
184.98621	1.2
186.96413	1.3
191.01965	70.2
192.02303	2.5
212.03485	1.5
228.97539	100.0
229.97887	3.0
282.04254	1.0
299.06628	1.1
341.10873	1.0
359.08926	0.8
384.85263	0.9
392.79022	0.7
402.86172	2.3
402.94962	0.7
403.07849	4.2
413.15781	0.7
539.98212	0.6
571.09149	25.5
571.18207	1.3
572.09528	1.8
763.07928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30882	0.5
59.01379	100.0
60.01706	0.9
60.29945	0.4
61.98838	0.8
69.86586	1.3
74.59383	0.5
78.05972	0.4
91.55715	0.4
103.01496	77.0
104.01825	0.6
107.52657	0.4
146.57372	0.5
152.99567	0.5
164.92210	0.4
189.34044	0.4
311.16733	1.3
455.29288	0.5
481.15085	0.9
513.34595	0.6
555.18823	3.4
572.14435	0.5
641.21960	1.2
701.25232	2.6
702.24622	0.7
707.88123	0.5
745.24951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.9
69.46264	14.6
71.01442	4.1
99.57374	4.0
120.20634	4.4
121.02950	10.1
122.03730	13.0
135.04539	6.6
136.01682	17.2
149.02443	25.0
150.03230	100.0
150.04358	8.0
150.34430	3.8
151.00410	5.5
151.04050	31.4
164.04837	8.2
165.05583	94.9
166.02734	17.5
175.03996	6.3
180.04356	5.0
181.05055	10.7
190.06406	13.4
195.06628	58.1
335.15140	4.2
357.13315	8.9
387.14453	42.6
535.19641	58.8
536.20007	7.4
583.21710	56.4
584.21539	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.00589	1.3
58.88451	1.1
59.01379	100.0
59.13847	1.1
61.98833	18.5
69.37345	5.2
70.87627	1.2
71.01384	58.0
72.01707	1.1
72.99307	1.2
73.02943	2.4
77.91850	1.2
79.21287	1.3
83.01373	1.6
85.02953	11.4
87.00881	3.5
89.02445	75.6
93.03459	1.2
95.01401	6.1
98.22555	1.8
101.02439	32.5
113.02452	25.0
119.03506	32.3
121.02946	2.6
122.03736	4.7
131.03516	4.8
143.03516	4.9
149.02473	8.7
149.04539	2.1
150.03232	26.1
158.15424	1.2
161.04590	5.0
164.04878	2.9
165.05568	22.4
165.06859	2.0
166.05914	1.3
179.03540	1.3
179.04169	1.7
179.05621	11.9
180.04333	2.0
195.06618	16.5
233.98181	1.2
268.07404	1.4
306.43970	1.5
308.06979	1.7
323.09073	2.5
339.08646	11.4
340.09280	1.7
354.11099	4.8
369.13382	19.9
370.13837	1.5
517.18573	8.8
518.19250	1.6
523.35388	1.6
583.32684	1.4
685.39966	13.0
707.31024	1.5
745.27679	3.7
745.40540	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	745.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	51.2
59.01379	63.4
59.46857	1.8
61.98829	100.0
71.01379	29.6
72.13964	1.8
73.02943	29.0
75.00883	5.8
81.03484	3.2
81.30180	1.8
82.95444	2.8
83.01395	7.3
85.02938	4.4
89.02446	23.8
96.95999	2.5
97.06604	1.8
99.04520	23.7
101.02444	33.9
105.20553	1.9
113.02439	16.1
113.06106	2.3
119.03500	10.7
123.04527	14.2
125.02464	14.3
130.56281	1.9
131.03502	3.2
141.05554	1.9
143.03528	4.1
145.45029	1.9
149.36288	2.1
153.05545	2.4
157.35458	2.3
161.04539	11.3
179.05623	13.0
233.67888	2.2
308.61008	1.9
311.01828	2.0
314.37476	2.0
528.49561	1.9
583.31445	4.1
585.71106	2.0
601.32129	18.0
643.32678	3.6
644.34662	3.1
745.36499	48.3
746.36420	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	745.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35804	50.3
77.94791	65.0
83.67210	56.9
87.86593	59.4
108.74588	60.9
112.98943	55.9
134.39951	62.6
255.23283	89.8
279.23361	100.0
348.19659	66.8
371.72235	64.5
383.35388	70.4
404.68854	71.3
509.96829	78.0
592.10480	68.8
711.18848	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40105	0.5
53.90687	0.5
61.98828	100.0
69.15856	0.6
71.46577	0.7
78.95871	0.7
79.42239	0.6
79.84306	0.5
106.80468	0.6
149.89227	0.5
153.39146	0.7
225.07141	0.6
279.23486	0.7
280.23572	0.8
298.15631	0.6
688.17554	0.8
746.51123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41662	0.5
57.03454	0.7
59.01380	25.2
61.98817	2.6
69.64764	0.6
71.01382	15.0
71.35475	0.7
72.99286	0.8
73.02939	2.4
83.01389	2.1
85.02950	2.7
87.00871	3.5
89.02440	14.3
95.01367	0.8
95.64169	0.5
97.02971	1.6
98.21877	1.5
99.00861	1.1
101.02444	11.8
107.91758	0.6
113.02444	5.4
119.03516	3.3
125.02439	4.0
131.03494	0.6
143.03502	2.7
150.10460	0.9
151.11180	0.6
161.04578	3.5
163.11292	0.6
165.12845	17.4
176.12021	0.7
179.05583	2.3
217.16035	0.8
235.08226	5.7
247.20651	8.1
253.09265	3.1
273.18524	5.6
287.07690	1.8
291.19662	100.0
292.20023	4.1
305.08698	2.0
323.09750	0.7
397.13492	53.5
398.13782	1.9
415.14581	28.9
416.14752	1.4
689.33472	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	749.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12379	1.0
61.98843	5.7
68.66971	1.0
69.19277	2.8
69.19704	3.1
71.01388	8.7
96.59582	0.9
97.36671	0.9
98.99490	1.0
108.96722	1.0
122.81087	0.9
139.82314	1.0
177.09253	3.1
192.11557	7.5
205.12332	4.1
218.09496	2.4
220.14680	40.7
221.15456	100.0
222.15846	5.9
236.10529	85.9
237.10999	3.9
293.17578	70.1
294.17963	6.0
301.72302	1.0
576.95221	1.1
729.64484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01373	2.4
59.88345	0.6
69.37969	3.1
69.38309	1.1
71.01363	0.8
72.00899	1.5
73.04073	5.1
89.02480	0.7
89.64612	0.7
96.96011	2.3
98.21955	1.7
101.02433	1.2
103.05125	0.8
106.06616	0.8
116.99035	0.9
119.70743	0.7
123.50031	0.7
126.37276	0.8
128.90631	0.7
129.10362	6.6
130.08711	2.1
139.08841	1.0
140.07176	2.9
141.10339	0.9
147.04509	9.1
150.05580	1.0
164.07152	28.3
165.07492	1.2
168.11403	2.2
169.09814	2.3
186.12465	27.1
187.12868	0.8
188.45018	0.7
197.23013	0.7
199.10873	4.6
216.13849	1.0
229.14566	0.9
233.16557	6.3
277.15472	0.8
284.03391	1.1
285.04019	2.3
290.18665	4.4
302.86844	0.8
334.17694	3.9
364.18765	100.0
365.19077	8.0
447.09259	1.2
448.09460	0.9
587.06873	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	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
59.88213	0.2
61.98829	0.3
71.01373	1.1
72.99306	4.3
73.99666	0.2
75.00873	100.0
76.01212	0.9
82.94802	0.2
83.24400	0.2
87.00874	0.2
89.02463	1.1
101.02450	1.1
113.02441	0.5
119.03511	0.5
125.02476	0.5
152.83060	0.2
190.54103	0.2
235.08261	0.6
243.96941	0.2
277.21741	2.9
278.03732	0.2
287.07632	0.2
397.13480	5.9
398.13873	0.5
415.14716	2.2
437.62671	0.3
607.50940	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	751.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10758	0.3
59.01374	2.3
59.22390	0.3
61.98819	0.6
68.13155	0.4
70.94369	0.3
71.01377	0.8
72.99307	4.5
75.00870	100.0
76.01205	0.7
85.00423	0.4
85.02933	0.3
87.00862	0.3
89.02443	1.5
98.21886	0.8
101.02438	1.0
113.02393	0.3
117.83821	0.3
118.99870	0.3
119.03498	0.4
235.08228	0.6
277.21716	3.8
286.48685	0.3
291.19656	0.6
348.33978	0.4
397.13507	8.3
398.13696	0.7
415.14526	3.1
628.36682	0.4
751.40240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54330	0.3
59.01378	0.9
61.98829	100.0
67.49785	0.4
67.82452	0.3
69.12595	1.7
71.01350	0.4
72.91479	0.3
85.03007	0.4
89.02473	0.3
245.57262	0.3
291.19736	0.9
292.20078	0.8
293.20361	0.7
303.04337	0.3
389.25143	0.4
397.13278	0.4
527.06488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07821	0.5
68.81841	0.6
70.72611	1.3
72.99319	3.8
75.00870	100.0
87.46387	0.7
97.15383	0.6
108.89602	0.6
154.38171	0.6
230.23653	0.6
302.69522	0.7
364.43750	0.7
560.46753	0.8
642.36426	0.7
657.11841	0.9
658.90686	0.7
677.49811	6.1
691.93793	0.9
753.51672	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	754.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98829	100.0
62.98524	0.2
66.08916	0.1
75.20672	0.1
75.78065	0.1
96.00889	0.1
96.96077	0.1
150.07556	0.1
293.21088	0.2
294.21603	0.3
295.22058	0.1
707.43323	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85624	0.2
59.01365	0.3
61.98829	100.0
80.23417	0.2
83.19165	0.3
84.48773	0.2
90.24454	0.3
96.96011	0.3
136.47412	0.3
151.50661	0.3
216.78026	0.2
220.88496	0.2
304.73523	0.3
687.29114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
59.01388	8.7
61.98828	11.8
66.03498	1.6
69.82649	1.7
70.02961	2.0
70.18307	3.5
71.01368	5.3
73.04062	6.3
74.02444	3.0
82.02974	2.3
83.02506	7.6
89.02418	2.9
94.92840	1.6
96.00906	19.5
96.96011	2.2
98.02473	12.3
98.22617	1.9
99.01994	3.6
101.02451	4.2
109.04075	6.8
110.02482	20.0
111.02010	2.2
113.02410	2.1
113.03551	5.6
113.07216	32.7
116.07160	2.6
119.05039	2.7
123.05639	1.7
125.07239	2.0
127.08787	2.5
128.05363	1.7
129.10310	2.5
130.08737	100.0
135.01978	2.1
135.04541	2.1
137.09708	5.3
138.05630	2.0
139.08760	3.6
140.07170	6.9
141.06747	2.5
141.10352	3.5
145.02933	2.8
149.03471	2.7
151.00392	2.0
151.05180	2.2
151.08752	4.1
153.03067	22.2
153.06793	2.1
155.04634	3.7
155.08247	6.6
163.03975	2.2
163.11261	2.0
167.07124	4.4
168.09042	2.7
169.09853	18.0
171.04073	5.0
172.10901	2.1
181.09819	2.4
183.15010	14.9
185.16617	13.3
186.12483	2.0
187.07611	2.0
191.11942	2.2
199.10890	5.4
211.03682	1.8
211.14571	3.3
217.12294	6.5
229.15578	15.6
235.13399	4.0
240.17120	13.2
242.18730	7.0
265.16641	9.3
268.16663	2.6
274.08179	2.3
283.17676	4.6
286.17740	6.2
311.05502	2.7
313.18835	2.5
333.87442	1.6
343.19745	4.8
379.19907	4.2
380.17993	2.0
423.18863	86.2
424.19012	6.8
431.10037	4.7
431.17279	5.8
492.12051	1.8
575.12097	3.1
593.22510	4.8
606.53394	1.6
737.38403	96.6
738.38635	14.6
755.18787	2.2
755.39478	53.0
756.39777	10.7
762.53741	2.4
782.18793	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	755.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83396	0.2
53.82179	0.2
59.01378	0.3
59.13728	0.2
63.88210	0.2
67.80921	0.2
71.16575	0.2
71.44888	0.3
77.42255	0.2
79.95739	1.1
93.03455	0.2
96.96010	100.0
134.43233	0.2
145.02980	0.2
163.03996	0.3
181.97012	0.2
208.29753	0.2
219.06960	0.2
223.13484	0.3
226.51215	0.2
226.53473	0.2
272.81366	0.2
303.09070	65.9
304.09393	2.2
322.61310	0.2
412.96918	0.2
431.16855	0.7
450.15906	0.2
593.22113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59317	24.7
56.08451	20.6
59.01381	28.3
61.98822	34.9
63.16853	26.4
69.35322	100.0
69.35738	44.4
71.06451	21.6
80.91689	49.6
91.91296	24.0
193.17664	25.2
221.64647	24.2
225.11319	48.0
227.78242	25.1
277.21799	54.5
461.20306	53.9
547.31653	28.8
688.55115	23.9
757.39447	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28583	19.9
69.23144	100.0
69.45414	19.5
72.58199	25.0
108.11559	22.6
150.32471	22.0
174.91968	28.9
186.78883	22.9
209.85913	22.9
275.96918	23.2
277.21759	26.6
317.94482	22.5
358.03183	22.5
396.23022	28.0
578.79254	24.6
757.38721	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32156	0.6
59.01376	0.7
60.98909	0.6
69.08944	2.6
71.01376	2.9
73.65859	0.6
74.02473	1.1
75.73375	0.5
88.32652	0.6
93.03449	0.6
94.29725	0.5
108.01471	1.1
108.02179	17.0
109.02954	36.5
110.03246	0.7
115.00386	5.6
119.04971	1.0
121.02946	4.2
121.06551	0.8
122.03732	2.1
123.04561	3.6
126.42186	0.7
133.02937	1.8
135.04538	6.5
137.02483	0.8
146.03726	1.2
147.04489	2.7
148.05336	3.7
149.06090	8.0
159.04390	0.9
161.06067	16.1
162.06870	4.9
163.07585	2.6
176.04742	0.9
177.05557	1.8
179.03510	1.9
184.37019	0.6
185.06105	1.1
187.07642	0.7
196.77812	0.7
213.05493	2.6
224.04691	0.9
226.06435	0.7
236.96669	0.6
241.05057	4.5
242.05841	56.3
242.31369	0.6
243.06543	12.5
253.08711	1.6
255.06612	0.9
261.13480	0.7
269.08142	4.1
270.08447	1.1
271.09753	86.8
272.10104	4.4
315.08942	2.9
358.11511	1.2
359.07718	100.0
360.08014	6.0
370.57593	0.8
557.93140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99334	1.1
59.01376	0.7
61.98827	3.5
68.95625	0.2
71.01369	0.4
82.95415	2.5
83.01460	0.1
84.00902	2.0
84.94573	0.2
84.95121	9.0
85.00430	100.0
86.00211	0.2
86.00770	0.7
87.00871	0.2
89.02435	0.3
92.16078	0.1
92.67524	0.1
97.02935	0.1
98.73608	0.1
101.02422	0.3
113.02431	0.2
125.02461	0.2
143.03458	0.1
165.38759	0.1
235.08202	0.2
240.64865	0.1
277.21680	0.5
278.22110	0.4
397.13483	0.8
398.13779	0.8
402.79755	0.1
415.14447	0.3
416.15042	0.3
479.68686	0.1
531.98859	0.1
557.02087	0.1
585.73358	0.1
685.39166	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98830	100.0
71.01397	0.6
74.99088	0.3
79.37621	0.2
81.04116	0.3
82.95414	1.5
89.02439	0.3
96.96023	0.6
99.00988	0.3
110.77335	0.3
125.02512	0.3
147.39212	0.2
168.21597	0.2
274.65720	0.2
306.54309	0.3
537.32471	1.9
538.33148	0.3
553.83545	0.3
762.38220	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	762.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
67.37612	0.5
71.01394	0.6
73.23161	0.6
83.05042	1.1
85.02956	1.1
89.83434	0.6
96.24310	0.6
98.22677	1.4
109.02711	0.6
122.08627	0.5
141.06055	0.6
149.13374	0.9
168.11472	0.6
174.93600	0.5
175.11305	0.8
183.04778	0.5
191.14467	0.8
193.12306	3.4
207.13921	1.2
224.16537	5.1
225.16124	0.9
260.16556	3.6
261.48456	0.6
269.63843	0.5
274.18198	1.2
278.17499	1.2
292.19180	5.7
310.20230	100.0
311.20599	7.7
451.32846	13.9
451.39084	0.6
452.33167	1.6
778.04858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3463
Annotation	CHEBI:67330
Peak:m/z	Relative Intensity
59.01374	4.8
64.87893	1.2
70.68239	2.6
71.01367	2.6
71.02495	2.9
73.04070	2.1
82.02977	4.7
84.95116	15.6
85.00429	20.1
87.00875	54.0
88.04040	1.7
89.02417	1.5
91.05515	2.7
95.03743	3.3
99.02032	1.4
109.04063	2.2
110.06111	1.7
112.04055	4.0
116.05019	2.5
116.07185	17.8
118.06614	5.6
123.03239	3.5
127.05135	14.2
128.03545	36.7
133.00414	1.4
137.92357	1.3
139.05147	1.8
144.29709	1.3
146.06110	2.6
147.04494	2.9
153.06676	1.7
163.08774	3.0
164.07173	5.7
165.06647	1.5
167.11848	2.0
169.13474	8.3
170.09731	4.3
181.09766	3.4
183.11406	6.7
186.09294	1.6
203.08257	1.7
213.10548	2.8
213.12427	18.9
214.08717	29.6
215.11903	3.5
225.08786	4.8
257.09280	2.9
259.96948	1.5
274.11914	3.3
275.10300	3.2
324.15558	2.3
370.16913	1.5
422.17368	2.9
747.33459	7.5
765.34668	100.0
766.35297	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64301	0.4
56.06930	0.4
59.01375	1.1
59.35730	0.4
60.99303	16.6
61.98824	4.5
63.99231	0.5
71.01379	1.2
81.98013	0.4
85.00430	1.8
87.00874	5.4
88.00406	2.1
88.98804	100.0
89.02442	69.1
90.02768	0.5
101.02411	0.5
119.24422	0.5
148.90955	0.7
159.90968	0.4
178.68631	0.3
180.47983	0.4
235.08221	0.6
277.16873	0.4
277.21780	1.2
386.97177	0.5
397.13492	4.5
415.14478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
60.99305	16.9
61.98822	3.0
68.51831	0.5
71.01383	1.6
75.30657	0.4
76.82660	0.4
85.00442	3.2
87.00877	7.4
88.00408	1.7
88.01212	0.8
88.98806	100.0
89.02441	82.1
89.99133	0.6
90.02765	0.5
98.21840	1.3
101.02413	0.7
113.02444	0.6
128.32472	0.5
140.72229	0.4
145.01358	0.4
148.91006	0.5
184.34209	0.4
235.08176	0.5
265.74225	0.4
277.21738	3.4
320.88794	0.5
380.13290	0.5
397.13528	6.4
398.13895	0.5
415.14233	2.3
519.18475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53725	0.3
59.01383	1.7
60.99307	11.8
61.98837	1.5
69.19312	1.2
69.51900	0.2
71.01378	1.4
80.96488	0.3
84.10181	0.3
85.00447	1.6
87.00875	7.3
87.01385	0.6
88.00413	1.8
88.01236	1.1
88.98808	73.4
89.02443	100.0
89.99158	0.8
90.02777	1.7
98.21948	0.6
101.02430	0.9
113.02459	0.4
119.03458	0.3
120.48035	0.3
136.53438	0.3
143.03496	0.4
148.90982	0.7
157.47375	0.3
235.08142	0.4
256.14969	0.4
277.21725	2.7
278.22049	0.7
320.10666	0.3
397.13495	6.4
398.13840	0.7
415.14587	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	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.0
59.01376	31.2
61.98835	20.3
71.01380	13.2
71.48674	2.1
82.95380	2.1
85.02953	4.3
89.02444	9.6
96.95969	2.2
97.02953	6.7
99.09680	3.0
101.02460	9.3
113.02469	6.4
115.32027	2.2
116.92831	3.0
119.03521	4.0
128.08989	2.3
148.29515	2.1
160.47148	2.2
161.04510	2.2
169.46730	2.2
179.05701	2.8
195.13879	8.4
197.11824	7.8
201.74405	2.1
211.13469	4.5
221.15440	2.9
223.13319	2.8
291.19675	11.4
293.98636	2.8
300.90085	2.3
309.20715	100.0
310.21063	8.5
397.13486	20.0
415.14572	41.8
416.15121	4.3
623.36652	4.4
643.13971	2.5
707.34888	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	767.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99011	1.1
60.99306	14.8
67.11047	0.5
70.93053	0.8
85.00459	0.6
87.00874	9.1
88.00401	2.7
88.01211	1.0
88.98804	100.0
89.02441	43.5
89.03020	1.2
90.02773	0.6
143.44485	0.6
158.12987	0.6
173.33243	0.6
211.68005	0.6
246.13855	0.6
412.90503	0.7
574.65558	0.6
677.49335	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	769.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75477	1.0
57.03434	1.2
59.01374	4.6
60.49535	0.9
61.98815	3.5
64.60140	0.8
69.20199	5.0
71.01383	2.9
72.30205	1.0
73.02938	1.2
79.00939	0.9
79.01896	2.2
83.01404	1.0
85.00467	1.5
85.02947	1.0
89.02460	0.9
93.03445	3.0
95.55949	0.8
96.96026	1.1
97.10865	1.1
101.02464	2.2
113.02451	0.9
116.92876	1.3
117.03462	11.6
119.05035	1.6
121.02935	2.4
125.02370	0.9
133.02982	1.1
135.04515	3.9
145.02962	1.5
147.04509	1.7
149.02429	6.8
159.04533	2.3
161.02408	4.5
163.03986	2.5
164.04764	2.9
175.04013	3.7
177.01883	1.0
177.05518	1.7
179.03503	1.0
189.05518	1.1
191.03526	2.5
196.60139	0.9
197.06024	1.2
201.51416	1.0
203.03490	2.9
205.05171	1.4
215.03539	1.8
221.04524	1.2
227.15302	1.0
233.04517	1.9
253.08586	1.2
267.06754	1.6
268.07346	1.9
269.04495	1.4
281.04489	2.5
282.05316	2.7
283.06079	6.5
292.60175	1.0
293.04492	1.8
295.06046	8.7
296.06909	6.6
297.07651	25.9
298.08017	1.3
307.06107	3.1
309.07709	4.0
311.05557	7.4
321.07486	1.1
323.05579	7.8
324.06207	2.4
325.07144	14.1
328.05746	2.1
335.05698	2.3
337.07144	5.9
339.08511	1.2
341.06729	2.4
351.05142	1.2
353.06638	43.2
354.07043	3.5
355.08096	3.0
356.05463	1.3
365.06595	10.9
367.07904	1.8
383.07739	39.9
384.08054	2.3
395.07764	4.0
407.07544	1.6
413.08554	6.3
425.08853	5.7
437.08783	1.5
443.09857	10.7
444.10251	1.3
455.09717	5.6
463.25446	4.0
468.42374	1.1
473.10880	2.4
485.11060	1.7
497.48578	0.9
527.11566	1.0
545.13110	6.3
563.14105	2.4
607.32446	1.2
679.16675	9.3
709.17535	3.6
751.18109	2.9
769.19867	100.0
770.20184	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	769.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
65.62915	0.4
70.99077	0.4
71.01413	0.6
79.49583	0.4
89.72849	0.4
93.03482	1.6
114.93442	1.8
117.03467	18.1
121.02930	0.7
135.04552	0.7
145.02988	0.9
145.05107	0.4
149.02469	2.3
159.04547	0.6
161.02441	2.0
163.04016	0.6
164.04832	0.9
173.02432	5.0
177.05618	0.7
177.11325	0.5
185.02437	4.0
187.04012	2.7
189.01889	2.9
197.02478	1.8
203.03551	1.5
215.03516	3.5
217.01459	2.5
223.06207	0.6
227.03600	0.6
235.07607	0.8
241.01465	1.1
243.03078	0.4
245.04570	0.6
261.05585	0.4
263.07300	0.9
271.02618	0.6
279.06760	0.8
293.04507	0.7
295.06033	1.0
297.07681	0.8
305.04504	7.2
306.05347	6.1
307.06097	10.5
308.06506	0.7
317.04675	1.3
319.05957	0.8
323.05551	0.7
335.05594	25.3
336.06064	2.1
337.07098	0.7
338.04416	0.5
341.06250	0.5
353.06781	0.8
365.06622	10.1
366.06976	0.8
380.80280	0.5
383.07657	0.6
395.07629	1.4
407.07675	0.5
425.08768	100.0
426.09088	8.0
455.09763	3.6
545.12982	97.1
546.13342	8.5
563.13690	2.5
655.79156	0.4
769.19781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17663	0.5
59.01402	0.8
69.85152	1.5
84.49519	0.5
93.03469	1.1
93.64502	0.4
93.99304	0.5
117.03465	16.4
117.04243	1.0
124.81919	0.5
127.87144	0.4
138.12766	0.5
140.97310	0.5
149.02495	1.6
161.02461	1.5
163.04022	0.9
164.04781	0.5
173.02437	4.7
185.02367	3.0
187.04012	2.6
189.01880	2.7
194.53859	0.4
197.02434	1.1
201.01945	0.8
203.03508	0.8
215.03554	2.4
217.01402	3.4
241.01469	1.0
245.04492	0.6
261.05533	0.8
263.07224	0.7
278.05850	0.5
279.06711	0.7
293.04535	1.7
305.04572	7.0
306.05322	5.3
307.06091	8.7
317.04562	1.3
321.04318	0.6
335.05600	17.7
335.09616	1.0
336.05969	1.4
337.06949	0.7
353.06564	0.8
365.06644	8.4
383.07617	0.8
395.07526	0.7
407.07291	0.7
425.08762	100.0
426.09061	7.9
455.09912	2.7
470.76154	0.6
533.25708	0.6
545.12970	90.3
546.13385	6.9
563.14008	3.2
769.20660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98830	100.0
65.76500	0.3
69.95665	0.7
69.95992	0.4
87.75816	0.3
98.22554	0.4
102.65484	0.3
102.81203	0.3
135.53761	0.3
183.23814	0.3
218.43115	0.3
272.86920	0.3
662.85883	0.4
762.81250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52758	3.3
61.98826	6.3
71.42491	3.6
79.15208	3.2
91.68707	3.2
96.96013	100.0
96.96964	4.1
109.73378	3.1
115.11699	2.8
128.79179	3.3
179.03792	2.8
262.36801	2.9
308.91531	3.1
460.37027	3.8
516.72540	3.3
517.16821	3.1
642.09424	3.2
778.69189	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	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
61.98828	3.8
71.01385	0.9
78.86694	0.2
78.95904	5.2
79.62363	0.2
79.95734	4.0
87.00868	0.2
88.56454	0.2
94.97245	0.3
94.98061	0.8
96.00914	0.8
96.96009	100.0
96.96904	7.0
98.02496	0.6
102.34959	0.3
118.29967	0.3
118.96622	0.3
163.96428	0.2
164.58934	0.2
168.98204	0.3
244.65176	0.3
277.21750	0.5
291.04196	0.4
363.65912	0.3
397.13422	0.5
407.17279	0.6
415.14606	0.3
435.08450	1.0
453.09079	2.1
464.91934	0.3
563.17773	0.3
713.30426	2.1
735.57996	0.2
791.28894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.464
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25767	0.2
65.50725	0.2
69.27392	1.1
71.72141	0.2
78.95897	5.2
79.95734	2.6
94.11410	0.3
94.98079	0.8
95.97592	0.2
96.00906	0.2
96.96007	100.0
96.96909	8.6
119.27780	0.2
253.37004	0.2
350.88693	0.2
775.46399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98839	9.2
77.75225	4.8
92.92799	5.1
98.21773	10.7
103.01494	72.5
140.81616	4.6
147.17468	4.3
170.57716	5.6
213.23270	4.7
230.91177	4.6
308.23883	6.4
394.80072	5.1
401.37262	5.1
457.86508	5.1
523.24207	5.6
664.49255	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	779.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.28190	2.8
78.09103	2.4
102.95674	6.8
103.00426	4.7
103.01494	89.3
104.54509	3.3
152.96460	3.2
196.75832	2.7
216.52409	2.8
231.20450	3.3
232.08987	2.7
273.82050	3.1
310.20383	3.0
516.93958	3.2
586.87256	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	779.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43889	0.4
78.17696	0.4
79.40244	0.4
79.95351	0.4
79.95754	1.6
85.00432	2.9
96.96008	62.1
98.22816	0.8
122.68712	0.4
124.31130	0.3
129.92126	0.4
210.68590	0.4
243.50595	0.4
265.14777	100.0
266.15085	3.6
471.22357	0.5
522.29297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01368	1.5
61.48302	0.4
61.98817	1.7
65.42458	0.4
66.81425	0.4
69.49374	1.8
73.02912	0.5
84.45933	0.4
85.02928	0.6
89.02475	0.5
93.03465	0.8
93.14661	0.5
96.96010	0.6
101.02443	0.6
117.03454	3.5
134.19270	0.4
135.04526	1.1
149.02486	0.7
161.02428	3.0
161.04521	0.5
162.26965	0.4
163.03992	1.1
175.03979	1.1
177.01881	0.9
177.05507	0.7
179.03578	0.5
183.10211	0.5
189.01978	1.4
189.05562	0.5
191.03528	0.8
201.11273	0.7
203.03366	0.9
207.03047	0.5
219.02994	0.7
226.37970	0.4
231.02856	0.5
243.12399	1.0
251.06982	0.6
263.07043	0.5
267.06604	0.9
268.07300	0.5
269.04565	0.6
281.04550	0.7
282.05341	0.9
283.06036	5.0
284.06345	0.8
293.04575	0.5
295.06104	5.8
296.06738	2.8
297.04303	0.9
297.07642	10.2
307.06097	1.8
309.04123	0.5
309.07620	1.0
311.05588	8.9
312.05884	0.9
320.47168	0.5
323.05582	5.6
323.09149	0.7
324.06372	1.3
325.07211	4.8
328.05823	1.5
335.05566	1.4
337.07224	1.2
339.05042	1.8
341.06485	0.5
349.07126	0.7
351.05048	7.2
352.05463	0.4
353.06665	26.8
354.06976	1.8
356.05447	1.5
363.05276	1.0
365.06586	1.6
369.06134	8.2
381.06042	1.1
383.07687	6.6
393.05893	0.7
399.07120	1.5
409.09183	0.9
431.09570	2.2
432.09961	0.6
437.08731	1.5
455.09793	2.0
471.09369	1.8
472.10126	0.9
473.10825	7.6
476.09537	0.8
487.81976	0.5
489.10367	3.8
557.13086	2.1
575.14038	100.0
576.14258	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
71.01365	2.4
72.99297	0.6
76.47894	0.5
78.95905	43.9
87.00871	1.1
89.02441	3.8
96.95975	2.8
96.96962	100.0
100.79864	0.5
101.02460	1.3
113.02449	0.9
116.99150	0.4
117.70101	0.4
119.03477	1.2
133.01501	0.5
143.03510	0.4
179.05678	1.0
188.09151	0.6
191.01982	0.7
223.88780	0.5
340.95020	0.5
341.10913	11.9
438.90829	1.0
439.08563	26.9
738.11249	0.6
738.24133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.2
67.19632	0.6
71.01378	16.4
71.34079	0.6
78.95903	50.0
85.02945	2.2
87.00872	2.0
88.93879	0.6
89.02444	25.4
90.33421	0.5
96.96962	100.0
101.02438	8.8
110.80741	0.5
111.00875	0.9
113.02457	7.1
119.03510	9.4
122.38491	0.5
130.23216	0.5
133.01375	0.6
143.03502	1.3
149.04572	0.8
161.04558	2.4
162.29997	0.5
179.05598	8.4
222.27942	0.5
256.57410	0.5
341.10873	74.1
342.11194	1.7
379.06372	1.0
438.90649	0.9
439.08554	31.9
440.08649	0.8
555.15173	0.6
664.80725	0.6
721.17883	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	0.6
73.62453	0.2
75.00864	0.6
77.23616	0.2
77.91167	0.2
82.11282	0.2
98.21795	0.4
102.95679	1.2
103.00362	3.1
103.01492	73.0
104.01848	0.4
136.93199	0.2
177.05429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44724	1.0
59.01379	100.0
71.44775	1.2
75.00875	1.2
78.26280	0.9
80.44445	0.9
91.57703	0.9
96.96001	7.3
99.06219	0.9
102.95645	3.4
103.00373	3.7
103.01496	75.4
116.89032	1.0
116.91916	0.9
167.75153	1.0
178.42599	1.0
253.81105	1.1
302.49545	1.1
654.99823	1.1
727.94122	1.2
807.03320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87413	0.3
59.01379	100.0
60.01707	0.6
69.81044	1.3
71.01378	0.8
75.00877	1.8
85.29716	0.3
96.00822	0.4
96.96044	0.6
101.02443	0.5
103.00488	7.7
103.01497	83.5
113.02473	0.5
197.03925	0.4
227.12790	0.7
229.14528	0.4
284.10724	0.4
324.02414	0.4
389.25400	0.7
411.34906	0.4
476.39749	0.4
506.05432	0.4
534.76599	0.4
575.13708	1.0
588.62653	0.4
619.29138	0.5
677.49683	1.9
691.49188	0.4
697.24176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03460	1.0
67.22470	0.3
70.02978	0.4
71.02501	0.8
80.05018	0.9
82.06603	3.2
84.08170	0.8
85.21888	0.3
87.05659	5.7
88.04040	0.8
94.06605	0.8
96.03256	0.5
96.06240	0.3
96.96024	0.6
97.04068	0.9
98.02467	1.1
102.28676	0.3
104.43121	0.3
110.03595	0.8
111.02009	0.6
112.07684	2.3
113.03555	1.1
116.05049	0.7
118.06625	1.2
121.04086	1.9
122.04850	0.5
123.91149	0.4
127.08773	1.0
129.10335	21.0
130.08739	3.0
131.05016	0.7
138.07974	0.6
138.64935	0.3
139.08763	5.8
140.07158	3.9
140.10751	0.4
146.06111	2.7
148.07689	0.4
151.08751	0.6
153.10336	1.9
155.08275	4.3
155.11874	1.6
164.09515	4.6
164.14359	0.4
165.10324	6.0
166.08699	0.6
167.08238	1.1
167.10632	0.5
169.09781	0.4
180.11414	1.1
180.13925	0.6
181.09740	0.5
181.17162	0.4
182.12990	3.3
182.15446	0.5
183.11366	2.9
184.10860	0.8
195.15034	1.5
197.16580	3.8
199.18073	0.7
200.14047	5.7
207.15007	17.7
208.10945	0.4
208.13382	1.3
214.12404	0.7
216.13976	0.9
223.11983	0.9
224.17664	7.9
225.16071	4.3
226.11887	0.8
241.13412	3.5
242.11917	3.1
242.18726	13.6
243.19116	0.5
252.20761	0.7
258.16049	0.4
259.14505	5.8
268.16620	1.2
268.20181	1.0
269.16666	0.6
276.17160	1.4
287.17609	0.4
294.25546	0.9
295.21350	9.0
295.81628	0.3
310.24976	1.0
312.17242	2.8
312.26312	0.4
313.22473	4.5
329.19836	1.5
330.18185	2.3
337.26053	10.3
338.26266	0.5
346.86465	0.3
347.20853	1.0
355.27063	4.0
365.29269	0.4
371.24451	1.2
372.22729	0.4
381.29037	0.4
389.25369	0.8
408.29794	0.4
425.25192	0.5
426.30655	0.8
443.26706	0.8
450.34592	0.6
460.29230	0.4
468.35602	0.7
539.39459	3.6
556.34979	1.1
573.37756	3.8
574.38525	0.4
615.42609	2.2
764.51025	0.5
782.51825	100.0
783.37421	0.6
783.52032	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	784.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96388	0.7
71.44392	0.7
78.95904	100.0
96.96962	63.8
109.21143	0.7
116.92836	0.7
118.82199	0.5
125.90258	0.4
134.04712	5.7
137.81421	0.5
138.98021	0.7
150.98010	1.7
158.06165	0.7
158.92519	7.2
158.93608	0.7
162.98033	2.7
176.93657	0.6
180.99071	9.8
195.00661	2.2
211.00308	0.6
212.08214	1.6
241.07364	2.9
255.08916	3.7
255.65337	0.5
272.95749	2.5
346.05566	24.5
347.05640	0.9
382.11246	1.2
408.01193	2.0
437.08667	34.5
438.09021	1.5
439.33722	0.5
517.05493	1.6
784.14868	9.5
784.28052	0.9
785.16205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.0
61.98827	2.1
63.01998	0.7
82.95418	0.9
85.00438	3.3
98.22697	1.7
103.01492	1.4
105.01929	1.9
108.90188	3.2
120.02205	4.2
121.02954	100.0
122.03262	2.9
165.01932	3.1
180.05841	1.1
181.06523	2.3
191.03493	2.1
209.04536	69.4
210.04872	2.8
217.25835	1.0
224.09525	0.8
225.05528	2.2
313.07205	4.7
357.05939	2.3
386.21744	0.8
401.08774	9.3
785.16827	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	787.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
58.00613	0.7
59.01378	27.2
61.98819	2.2
64.81166	0.5
69.03439	0.8
69.20615	1.5
69.21019	2.9
71.01380	29.0
72.99307	0.7
73.02943	4.0
75.00869	1.6
79.95753	1.0
80.05051	1.1
83.01377	2.2
85.02949	12.9
86.29494	0.6
87.00893	2.9
87.04532	0.7
89.02448	10.1
90.46204	0.6
94.06622	0.8
95.01376	2.0
96.64993	0.6
96.96018	3.0
99.00897	0.8
101.02442	8.3
106.03547	0.6
106.06615	5.2
106.56065	0.7
107.03754	1.0
107.05067	0.6
107.89294	0.6
108.04530	0.6
112.48546	0.6
113.02456	8.3
116.92873	1.0
119.03492	2.8
120.08182	0.7
122.06126	12.1
125.02436	1.9
132.04552	1.5
134.06120	43.6
135.06503	1.4
136.07707	1.6
148.07707	1.0
149.76750	0.6
150.05612	2.9
150.26524	0.7
152.07175	8.1
155.69234	0.6
158.02504	1.0
160.04091	1.3
161.04572	1.9
174.05527	1.1
186.05649	1.0
190.05101	1.6
190.32191	0.6
203.56992	0.6
209.07246	1.3
210.07986	1.1
211.08774	8.0
213.10338	1.3
215.11885	2.8
222.07755	0.9
223.08757	3.5
224.09517	1.7
225.10356	4.3
227.11880	1.7
236.05879	2.6
236.09467	0.7
237.06706	6.6
237.10338	4.3
238.11018	1.2
239.11888	2.8
248.09467	1.4
249.06613	1.5
249.10382	1.6
250.07501	3.5
251.08253	9.4
251.11906	3.0
252.09032	2.4
253.09923	1.5
253.13391	1.1
262.07446	1.5
262.11053	0.9
263.08347	3.4
263.11829	2.1
264.09103	3.8
265.09772	9.0
265.12720	0.8
265.13724	0.6
266.10413	1.0
267.11288	1.2
269.09167	0.9
276.09152	0.9
277.09747	4.8
278.10471	1.8
279.11325	5.2
281.08099	7.1
281.12888	1.3
282.08630	0.9
283.10977	1.4
291.07983	1.2
291.11417	1.9
292.11942	0.9
293.09332	1.2
293.12769	1.2
296.11353	1.8
297.12347	0.9
304.08459	0.8
305.09332	2.6
305.12598	0.8
307.10800	3.1
308.11072	0.8
314.12488	1.8
319.10999	1.5
321.12299	0.9
323.10242	0.9
328.10776	1.2
330.16281	0.7
337.11902	2.3
339.13406	2.3
340.14536	0.7
342.12350	1.7
342.15967	1.3
344.13779	0.8
354.12033	0.9
356.13943	1.9
358.11929	0.9
358.15631	6.5
359.16302	2.6
360.17191	3.4
366.12164	1.1
368.14185	1.1
370.11584	1.3
370.15601	1.7
371.12338	0.9
371.16449	1.1
372.13058	1.1
372.17151	2.8
374.15128	1.1
382.11890	2.3
383.12683	0.8
384.13333	5.0
384.17438	1.9
386.14835	4.9
387.15353	0.7
396.13333	1.5
397.14035	0.9
398.14859	4.4
399.15796	2.0
400.16626	2.4
410.15027	0.7
411.16064	0.9
412.16931	3.7
414.18109	1.1
416.16138	1.0
426.18494	1.0
428.15997	2.8
430.17722	1.7
431.18201	1.0
440.16077	1.8
444.19107	0.8
454.17621	0.9
460.18832	3.1
472.18689	1.3
486.20367	1.7
546.21271	0.8
574.22137	1.7
575.23108	0.8
592.23309	0.9
607.25763	1.2
618.21143	1.3
632.22467	1.1
633.23669	1.0
664.24841	2.6
665.25867	28.5
666.26501	6.1
687.30353	1.8
711.30066	1.0
713.28345	2.4
714.28949	1.2
737.28033	2.5
755.29303	11.8
756.28650	0.9
769.30994	2.2
787.31927	100.0
788.32135	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	787.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03451	1.2
59.01381	16.3
60.76530	0.7
61.98821	2.3
64.92152	0.7
69.49432	2.4
69.49818	1.7
71.01383	30.2
72.54228	0.8
72.99317	1.2
73.02953	4.1
75.00848	1.5
82.80732	0.7
85.02946	12.0
87.00861	2.8
89.02435	4.8
94.06626	1.0
97.02978	0.9
99.00880	2.1
99.75506	0.8
101.02435	6.0
106.06639	6.1
107.03739	1.0
113.02451	8.0
119.03493	1.4
120.08209	0.9
122.06116	6.9
125.02377	0.9
127.02199	0.8
132.04584	1.2
134.06125	40.6
135.06448	1.1
136.07716	1.2
150.05649	4.3
152.07191	9.5
161.04552	2.5
188.78101	0.8
209.07196	1.3
210.08028	1.9
211.08797	9.8
223.08748	4.4
224.09395	1.6
225.10330	3.0
236.05872	3.0
236.09445	1.1
237.06706	11.0
237.10304	2.9
238.11023	1.0
239.11861	4.1
249.06668	2.0
249.10329	1.1
250.07434	3.3
251.08208	9.0
251.11876	2.7
252.09003	2.5
253.09734	1.4
262.07565	1.1
263.08270	3.7
263.11658	1.7
264.09024	2.2
265.09760	7.7
269.09140	1.5
276.09064	1.2
277.09775	3.0
278.10236	1.3
279.11334	5.3
280.12015	1.2
281.13107	1.0
283.10849	1.6
291.11383	2.3
296.11230	1.8
304.08292	0.8
305.09354	1.8
307.10715	1.6
322.44873	0.9
323.10440	1.2
330.16058	1.0
337.11847	1.6
339.13647	0.8
342.12354	1.0
356.13898	3.1
357.14316	1.1
358.11594	0.8
358.15482	5.4
359.16006	0.9
368.09930	1.2
370.15430	1.9
371.16162	2.2
372.17062	1.8
373.17679	1.1
381.11288	1.2
382.12033	2.0
383.12332	1.1
384.13416	3.6
385.13937	1.2
396.13562	2.9
397.13959	1.1
398.14948	3.5
399.15543	2.3
400.16544	1.6
410.14862	1.5
411.15933	2.2
412.16754	3.9
413.16898	1.1
416.15945	1.7
425.17419	0.9
427.18762	1.1
428.15866	1.2
430.17673	4.5
431.18594	1.8
442.17926	1.1
511.44876	0.9
546.18866	0.9
574.21906	2.3
618.20667	1.8
633.22760	1.5
664.25208	1.4
665.25848	53.1
666.25983	6.2
755.29529	6.4
787.31946	100.0
788.32153	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.5
61.04594	1.1
71.01372	2.3
75.64553	1.1
96.96020	1.7
97.29203	1.1
109.02934	1.4
121.02921	1.7
125.02435	1.2
128.03554	1.7
133.02940	7.8
135.04561	1.8
149.02391	1.5
163.00293	1.8
163.03972	2.4
171.04265	1.1
175.03993	1.9
191.03539	2.1
193.01372	1.6
199.04137	1.3
201.01869	2.0
217.05266	1.4
238.42029	1.2
241.05058	1.9
284.03268	7.8
285.04047	6.8
297.04050	15.9
298.04767	10.9
299.05579	16.7
311.05658	2.7
325.03320	1.8
327.05081	100.0
328.05429	8.4
339.05069	3.3
341.07013	1.2
357.06091	29.5
358.06567	1.9
369.06070	3.7
377.14890	1.4
393.06125	1.3
422.37036	1.3
447.09314	93.8
448.09680	8.9
531.72491	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	793.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.77879	0.2
59.01375	2.8
61.27689	0.3
61.98816	0.5
69.21047	1.1
71.01383	0.4
73.02946	7.0
75.00868	8.1
87.00885	0.4
89.02450	0.7
98.21902	0.6
99.00873	6.0
99.92579	11.1
100.92641	0.4
101.02460	0.3
114.93425	0.4
115.04033	0.4
115.99916	0.5
116.03546	1.1
116.92858	100.0
116.97240	3.3
117.01936	16.7
117.02801	0.3
117.05574	0.7
117.92863	2.9
122.34371	0.2
149.95734	0.2
235.33279	0.3
277.21677	0.7
335.17554	0.3
386.13953	0.3
397.13611	1.2
415.14871	0.4
600.22424	0.2
735.37939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98823	0.8
69.87238	0.8
73.02949	4.4
75.00871	3.7
85.00433	0.9
89.02443	0.4
99.00878	3.0
99.92585	9.5
100.92587	0.3
114.93414	0.4
116.03542	0.5
116.92863	100.0
116.97254	7.8
117.01944	9.3
117.05614	0.3
117.92869	3.5
123.16116	0.2
192.80875	0.2
209.11841	0.4
277.21768	0.8
335.17685	1.0
397.13440	0.7
415.14587	0.3
473.10379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48310	0.2
59.01365	0.2
60.58941	0.2
69.13211	0.5
69.13615	0.6
73.02947	0.7
75.00865	1.0
75.17800	0.2
78.06768	0.2
98.21825	0.2
99.00853	0.4
99.92584	8.6
100.92619	0.3
114.93438	0.5
116.92859	100.0
116.97234	0.6
117.01936	2.4
117.92873	3.7
351.98730	0.2
406.42340	0.2
595.79962	0.2
713.47211	0.8
790.12524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.7
59.01381	22.1
61.98826	4.7
64.79144	1.6
70.95327	2.0
71.01386	12.7
73.02946	10.0
74.06134	1.7
83.01369	3.0
85.02930	3.1
89.02448	6.4
99.04525	4.8
101.02458	11.8
108.90145	2.5
109.93663	1.6
110.21253	1.6
113.02447	6.1
116.72411	1.5
116.92838	2.3
119.03500	3.0
123.04539	1.8
125.02448	7.2
161.04558	2.7
187.31142	1.8
223.19429	1.6
269.19122	5.6
287.20129	4.6
305.08664	4.5
313.18097	18.9
317.49188	1.9
331.19141	100.0
332.19446	8.8
373.19962	4.9
493.24298	21.7
494.24643	3.5
575.71930	1.9
637.28607	47.4
638.28632	5.0
655.66382	1.8
799.33978	15.6
800.34198	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	801.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
59.01384	35.0
61.98822	11.0
71.01387	20.7
73.02961	11.2
83.01406	3.5
85.02959	10.4
87.00848	5.9
89.02451	13.8
101.02433	8.7
106.06634	3.4
113.02428	9.1
116.05076	7.1
116.93004	2.9
122.06110	5.8
130.02997	7.1
132.04535	4.6
134.06117	41.3
136.07730	4.4
146.06161	3.5
148.04044	5.2
150.05643	5.4
152.07220	9.7
158.02467	24.7
160.04027	25.3
172.04128	4.4
190.05095	48.5
190.18117	3.4
192.06642	24.3
214.07526	4.7
214.12395	4.4
227.08131	5.2
229.09848	30.9
240.10330	3.7
241.09801	21.4
242.10486	5.8
255.11398	4.1
257.13016	25.9
263.08359	4.3
267.07928	4.6
277.06332	5.3
277.09793	9.2
281.09314	22.2
283.10904	43.8
301.11896	6.7
305.06238	4.0
305.09232	15.9
307.10794	10.0
309.08847	7.8
309.12366	5.2
314.12390	3.5
323.10120	4.2
325.11588	3.7
337.11954	28.5
338.12592	4.0
339.13538	4.7
343.12939	9.7
403.15015	16.6
463.17197	3.5
475.23868	3.5
485.15552	7.1
487.17130	6.6
517.18378	21.0
519.19696	11.9
568.22717	6.7
571.18744	5.3
725.28058	9.8
726.27307	4.0
769.27374	100.0
769.41473	6.1
770.27631	8.6
801.29730	71.0
801.42310	3.1
802.29700	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	802.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
87.50713	0.4
93.03489	1.6
117.03465	15.0
117.04250	0.8
118.03762	0.6
145.03000	0.5
152.15486	0.5
159.04530	0.6
161.02489	1.4
171.04636	0.6
173.02437	4.2
179.75125	0.5
185.02423	3.7
187.04056	2.4
189.01915	2.8
197.02521	1.5
203.03523	1.4
215.03499	3.4
217.01471	3.1
220.03633	0.6
227.03496	0.7
241.01570	0.6
242.01613	0.6
245.04715	0.6
256.19000	1.1
263.07144	1.4
286.54083	0.5
293.04639	1.4
305.04501	7.0
306.05255	5.3
307.06119	9.7
308.06448	0.7
317.04410	1.2
321.03940	0.6
323.05563	1.0
335.05612	22.5
336.05853	1.5
337.07019	0.7
347.05341	1.0
353.06467	0.6
365.06610	9.7
366.06760	0.6
368.76392	0.5
377.06927	0.9
395.07849	1.2
407.07614	0.5
425.08777	95.3
426.09174	6.8
455.09988	2.7
545.12994	100.0
546.13354	10.3
802.33026	6.0
803.33514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
71.01398	0.3
90.63045	0.2
93.03444	1.7
98.21867	0.8
112.86432	0.3
117.03466	14.8
118.03864	0.3
131.05060	0.4
145.02969	0.5
161.02458	1.6
163.04019	0.4
173.02419	4.4
175.04059	0.5
177.05565	0.6
179.43768	0.3
185.02393	2.7
187.03999	2.4
189.01910	3.1
197.02452	1.0
203.03519	1.1
215.03481	3.0
217.01399	3.0
227.03596	0.9
235.07600	0.4
241.01385	0.9
245.04541	0.5
256.19223	1.2
261.05505	0.5
263.07166	0.8
265.05136	0.3
271.02509	0.9
278.05853	0.3
279.06564	0.6
279.15610	0.3
281.05225	0.3
293.04544	1.0
295.06171	0.5
305.04529	5.9
306.05234	5.3
307.06116	9.1
308.06598	0.5
309.07751	0.5
317.04471	1.4
321.07843	0.3
323.05597	1.0
335.05591	21.2
336.05917	1.3
337.07007	0.5
338.04221	0.4
347.05295	0.5
353.06790	0.4
365.06638	8.5
366.07156	0.3
377.06711	0.8
395.07730	0.6
407.07758	1.0
425.08762	89.4
426.09085	6.1
437.09039	0.3
455.09882	3.0
545.12982	100.0
546.13373	11.5
565.00635	0.3
681.74603	0.3
731.36139	0.3
802.32886	6.6
803.33179	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	802.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86562	1.4
66.03493	3.1
68.05037	6.5
69.55693	5.6
72.52374	1.5
74.02474	28.9
81.98161	1.4
85.04084	3.8
87.05644	38.4
94.49196	1.3
96.04524	2.1
97.04066	2.2
109.19386	1.3
110.06146	2.3
113.03584	22.8
113.07220	19.5
114.05538	1.6
115.08760	4.5
124.04038	3.9
125.03564	3.5
125.07207	13.6
126.04348	2.0
127.08773	7.1
127.77962	1.5
131.04613	4.0
132.08197	5.1
135.05661	3.1
136.04025	5.8
138.05627	1.9
139.05130	6.0
139.08768	5.5
152.05951	2.5
153.06705	22.1
155.08282	18.1
156.13371	1.4
156.82903	1.4
165.06715	9.3
165.10219	1.9
170.03276	2.5
171.04019	1.3
172.10876	3.0
175.30954	1.4
182.09364	3.0
184.10901	57.7
193.09871	7.3
210.12595	2.0
224.14149	1.6
228.09760	2.8
246.16090	3.5
252.13536	50.4
252.23764	1.6
264.13522	1.5
264.17157	4.8
289.16647	1.8
290.15042	4.1
318.43027	1.8
335.25491	1.4
343.21304	1.8
420.26340	1.6
543.29602	1.7
560.31970	3.4
697.36926	5.7
772.39954	100.0
773.39996	14.5
784.39429	8.5
802.41058	57.9
803.41083	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	803.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01383	10.5
61.98826	7.8
65.71907	0.8
69.18405	5.2
71.01374	7.1
73.02949	2.6
74.82569	0.8
80.52395	0.8
83.01398	1.1
85.02943	2.1
87.80513	0.9
88.57054	1.0
89.02438	4.2
96.95971	1.7
99.04558	1.0
101.02451	3.0
113.02445	1.9
116.49975	0.9
119.03513	1.0
122.06114	3.1
134.06149	2.4
148.07707	1.1
166.08665	1.4
174.01997	2.4
176.03482	1.5
178.90900	0.9
179.45793	1.1
206.04665	1.6
210.08096	1.2
211.08427	0.9
213.03030	1.3
215.04634	1.5
216.02875	0.9
223.05130	1.6
224.05872	2.8
225.06680	3.7
226.07437	1.7
227.08253	1.5
235.08693	1.2
236.05904	1.3
237.06729	3.0
237.10188	1.9
238.07405	4.8
239.04636	1.1
239.08159	6.6
240.09087	1.0
241.09857	1.2
249.10339	1.1
251.04601	2.4
251.08215	3.8
252.05388	4.8
252.09088	1.8
253.06081	2.5
263.08231	2.8
264.05255	1.6
264.09003	2.6
265.06165	7.6
265.09720	5.0
266.06894	18.7
266.10107	1.6
267.07724	10.1
268.08450	1.9
275.08310	1.7
277.06131	2.2
277.09521	1.4
278.06827	4.7
279.07761	13.3
280.08304	2.2
281.09222	2.4
291.07666	2.8
292.08618	5.7
293.09335	4.3
294.10019	2.6
295.11087	4.4
297.08810	3.4
298.09497	2.9
299.10336	3.9
300.11600	1.2
302.09433	1.0
316.11057	1.1
319.07303	2.5
320.08041	7.1
321.08755	5.5
328.10812	1.9
330.08932	1.4
339.09848	1.0
344.10388	4.6
345.11420	2.8
346.11835	3.4
347.12708	1.2
353.11377	3.2
354.12051	2.4
356.10828	1.1
358.08026	1.7
358.11966	1.4
360.13507	5.2
361.14325	1.2
372.09473	1.7
372.13638	2.1
373.10678	4.1
374.15085	1.4
385.10303	1.1
386.10971	1.6
386.15271	1.8
387.12347	2.0
388.12949	10.8
389.13745	1.8
390.14499	1.6
398.15155	2.2
399.13174	1.9
400.13177	7.3
401.13751	1.2
405.13321	2.6
414.14709	1.8
416.15854	1.2
420.15628	4.7
427.11728	1.4
442.13959	5.2
474.16687	5.5
475.17664	4.4
476.18100	2.4
497.27600	1.2
508.99393	1.1
539.28595	1.8
649.22974	1.8
681.24536	2.2
682.26025	12.3
771.28467	16.0
772.29333	2.2
803.31415	100.0
804.31738	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	803.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	33.5
59.01374	19.3
61.98833	7.4
62.06775	1.8
70.21320	2.0
71.01384	10.3
71.18724	2.7
73.02927	4.2
76.69078	1.8
78.52158	1.9
81.03436	3.9
83.01364	2.4
85.02945	5.8
87.46371	1.7
89.02438	6.6
96.95990	2.6
99.04504	25.9
101.02446	18.4
113.02477	3.9
116.92845	2.8
125.02441	30.4
148.24577	1.8
158.32971	2.1
266.06900	2.8
269.38123	2.2
272.09607	7.2
305.08945	6.1
317.21240	4.1
335.22260	22.7
417.93143	2.3
497.27548	100.0
498.27905	5.7
539.28534	8.8
803.37494	33.7
804.37256	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	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.46374	0.8
59.01383	4.5
61.98825	2.1
67.01896	1.1
70.34109	0.8
70.99614	0.9
71.01375	2.5
73.64182	0.7
79.48782	0.9
80.42803	0.7
85.02956	0.8
86.85254	0.8
89.02451	1.8
95.05019	1.1
101.02451	1.7
109.02952	4.5
113.02477	0.9
123.00878	1.8
126.90560	1.0
133.02844	1.0
135.04546	1.0
136.01677	2.3
137.01431	1.6
137.02446	27.0
149.02419	0.9
150.03215	2.1
151.00386	10.0
151.03979	4.1
152.01154	1.6
152.04781	4.2
159.04462	0.9
162.03204	0.8
163.04100	1.0
164.01164	3.0
164.04800	1.0
165.01933	100.0
165.05580	4.0
166.02716	38.4
167.03453	3.1
175.04015	1.6
177.01942	2.5
177.05598	1.0
179.03490	18.6
180.04285	57.9
181.05070	40.2
187.03973	2.9
190.02756	1.2
190.06448	1.4
191.03526	1.1
192.04250	2.1
193.05080	1.6
194.05843	3.6
195.02942	3.4
195.06619	78.3
196.06949	1.4
205.05052	5.5
207.06697	2.6
210.05351	12.7
219.06525	0.9
220.07433	5.2
221.08182	0.9
225.07672	62.1
226.07945	1.4
243.07092	0.9
345.09967	0.9
359.11618	1.8
372.11990	1.8
385.13098	0.9
386.13416	1.0
387.10022	4.6
387.15112	5.0
402.13147	5.3
403.14001	2.3
416.14844	4.2
417.15533	58.3
431.15659	0.8
547.16302	1.0
565.17755	2.6
595.21826	56.0
596.21735	2.2
613.23071	1.5
625.22876	1.2
643.23950	39.5
644.23651	1.6
773.28650	1.0
805.32806	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
69.03484	0.3
71.01377	1.8
73.02946	0.3
76.13898	0.2
80.91669	0.4
89.02440	1.9
97.77839	0.3
101.02418	1.9
110.92061	0.3
111.39723	0.3
113.02448	0.6
119.03502	0.8
161.04530	1.0
161.61623	0.3
165.43506	0.3
172.22823	0.2
179.14380	0.5
181.12282	0.3
183.13774	0.3
195.12236	0.4
195.13918	6.1
196.14574	1.0
205.12199	0.8
205.16019	0.5
223.13321	4.5
224.13991	0.4
228.13675	0.3
235.08276	1.0
249.11043	3.0
253.09270	17.4
254.09517	0.4
256.13162	0.8
265.21863	0.4
275.20129	4.6
276.20557	0.5
293.21216	100.0
294.21539	6.0
467.19098	0.6
485.20245	0.8
492.22208	0.4
495.83542	0.3
529.30402	1.7
530.30737	0.3
569.41895	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	808.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
61.98824	0.7
69.11700	0.8
69.69355	0.7
70.70036	0.8
74.06995	0.7
75.66114	0.6
78.95904	4.3
94.09853	0.6
95.42482	0.6
103.29305	0.7
115.80136	0.8
130.12450	0.7
147.15623	0.7
150.10468	1.3
163.11258	1.2
165.11530	1.3
165.12845	16.5
168.04303	0.8
184.07137	0.7
242.08011	1.6
247.20718	8.6
271.41101	0.8
273.18622	5.0
277.21722	58.9
278.22098	3.6
291.19650	100.0
292.19977	6.0
357.29434	0.8
502.29376	37.7
503.29816	3.3
535.91138	0.8
646.93445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98815	0.9
66.03479	1.2
69.11542	5.8
73.04072	5.6
74.02473	1.6
82.02977	1.6
82.06625	2.4
84.08193	1.0
85.04087	1.1
98.21916	2.0
113.07210	26.2
114.05562	1.3
115.08753	1.5
116.07172	1.6
123.03269	1.6
125.07207	1.2
127.05148	6.7
127.08734	2.2
128.03526	7.6
128.55473	0.9
129.10329	2.0
130.08739	48.6
136.11311	1.7
140.07190	10.4
143.11873	1.1
144.11369	1.7
152.10757	0.9
153.06696	4.4
154.09862	2.6
155.08234	3.3
156.11404	1.5
168.09010	4.6
169.09810	1.5
170.09346	5.0
171.07764	1.2
179.11859	1.1
180.10297	18.6
180.11859	1.0
184.07312	1.4
184.10945	4.3
185.16571	15.4
186.12567	0.9
191.11951	1.5
195.11353	3.7
197.12830	1.9
201.13576	5.8
202.11977	1.0
207.14931	1.4
208.14563	2.9
209.12953	2.2
211.14452	2.6
222.12424	1.7
223.10870	14.8
226.15581	3.0
229.15512	7.1
238.11948	1.5
240.13489	2.4
240.17220	2.0
241.12045	1.5
242.18755	5.9
251.15034	1.4
319.17780	3.4
337.18698	5.1
339.23895	7.4
355.20276	0.8
383.22971	12.0
494.25702	1.0
496.31537	2.6
540.31683	1.6
551.45276	0.9
607.34784	4.6
792.47015	2.1
810.47290	100.0
811.47437	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	815.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23436	11.1
79.38621	8.9
80.96532	50.4
93.44526	10.5
94.98081	9.9
143.04935	9.5
205.86716	9.0
337.40222	10.4
613.54517	10.4
815.49945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
69.84257	2.5
73.80101	0.9
98.22687	1.0
99.60108	1.0
105.07059	1.1
112.65136	1.2
117.03468	12.9
155.02733	0.9
161.02464	1.1
173.02451	4.2
185.02448	1.8
187.03975	2.6
189.01927	2.1
197.02399	1.3
215.03513	2.1
217.01364	2.9
222.71700	1.0
263.07077	1.2
263.52243	1.2
270.20895	1.0
305.04449	4.9
306.05264	4.9
307.06125	8.8
315.37119	1.2
317.04468	1.2
323.05576	1.2
335.05573	18.5
336.05917	1.2
365.06641	7.3
395.07544	1.7
425.08765	91.0
426.09183	5.6
455.09637	2.2
545.12994	100.0
546.13397	5.6
816.34393	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	816.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
69.85671	1.6
93.03466	1.1
98.21963	0.8
117.03453	11.8
118.51773	0.5
135.04596	0.6
161.02484	1.2
173.02431	4.3
185.02505	3.3
187.04066	2.4
189.01929	1.9
203.03503	1.6
211.64441	0.6
215.03531	1.9
217.01346	1.5
236.25259	0.6
239.97316	0.6
241.01541	1.1
245.04453	0.6
263.07190	0.7
270.20663	0.7
271.02521	0.8
305.04504	5.6
306.05353	5.3
307.06110	8.1
309.07816	0.7
315.13129	0.6
317.04495	1.5
319.05972	0.6
323.05518	0.8
335.05603	19.7
336.06024	0.9
365.06635	9.2
366.07010	0.8
395.07587	1.0
407.07684	0.6
417.68311	0.6
425.08749	87.1
426.08975	5.6
455.09836	2.6
503.02466	0.6
545.12976	100.0
546.13434	8.7
816.34344	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	816.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.1
69.08646	3.3
73.14179	0.5
82.32855	0.5
91.98657	0.6
93.03458	1.0
98.22684	1.0
117.03464	12.0
119.05067	0.7
135.04512	0.5
161.02403	0.9
163.03975	0.5
171.04552	0.6
173.02423	4.5
175.03949	0.7
185.02483	2.2
187.04025	2.3
189.01912	2.8
197.02524	0.9
203.03528	1.2
210.92126	0.5
215.03459	2.9
217.01360	2.3
218.47987	0.5
227.03639	0.7
235.07567	0.6
241.01422	0.5
245.04643	0.9
263.07159	0.9
278.36981	0.6
293.04630	0.7
295.06235	0.7
305.04523	5.9
306.05270	5.5
307.06134	8.5
309.07562	0.7
317.04532	1.3
323.05588	0.9
335.05594	21.3
335.09659	1.0
336.05923	1.5
349.07330	0.6
365.06635	8.8
395.07626	1.3
425.08774	84.3
426.09155	4.1
455.09467	2.5
456.10309	0.6
512.71637	0.5
545.12994	100.0
546.13306	8.0
816.34442	7.1
817.35315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81573	3.2
56.97451	3.2
59.01379	100.0
60.26258	3.1
61.98830	20.6
70.22035	8.4
83.99509	3.4
104.69659	4.1
123.75071	3.3
141.01703	53.1
160.39810	3.9
165.72365	3.5
264.33432	4.0
277.21747	3.9
289.34821	3.9
341.53458	4.1
359.22128	5.9
397.13495	13.2
437.13000	6.6
697.33325	6.2
767.64423	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98827	88.4
76.03997	14.5
76.04482	14.4
78.76472	14.3
130.19289	14.3
141.01723	69.2
157.96603	15.2
181.10257	17.2
182.82550	15.6
223.80865	13.2
353.98224	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	818.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42606	1.8
71.01335	1.9
71.41069	1.8
76.03260	1.8
81.90775	2.1
117.03455	14.3
126.24368	2.3
173.02434	3.6
187.03967	3.3
217.01375	4.6
305.04617	4.3
306.05264	3.6
307.06036	6.9
335.05518	20.8
365.06778	9.0
400.74030	2.3
425.08752	74.4
426.09021	2.8
457.90546	2.3
482.13937	2.1
497.05173	2.0
508.34860	2.1
545.13000	100.0
546.13159	4.3
818.32129	7.3
854.08167	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	819.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.01380	66.9
61.98816	3.0
63.48549	1.9
71.01376	37.6
72.99319	2.3
73.02935	6.4
83.01377	5.2
85.02926	5.4
87.00867	3.7
89.02447	22.9
95.01361	2.8
101.02444	19.8
106.06602	7.6
113.02425	9.5
119.03500	8.3
122.06085	8.4
126.17879	2.1
134.06126	56.8
136.07658	2.9
150.05556	4.0
152.07143	13.6
161.04692	2.2
190.05002	3.0
200.09494	1.8
211.08755	7.2
224.09576	3.2
225.10277	5.9
236.05800	2.6
237.06639	7.4
249.06546	2.9
250.07306	5.4
251.08173	9.6
252.08920	2.6
263.08316	4.4
264.09052	3.3
265.09805	9.3
277.09750	4.2
279.11328	3.4
283.10883	3.3
290.23239	1.7
296.11255	2.4
297.12619	2.4
301.15411	3.1
307.10864	2.3
314.12433	5.9
330.12445	3.1
337.11948	8.9
342.12326	2.9
344.13992	3.0
345.14761	2.1
346.15582	4.4
356.14066	5.1
358.11615	4.7
358.15567	4.8
370.15479	2.5
371.16217	2.5
372.13202	4.4
373.14224	4.2
385.13559	2.6
385.17996	2.1
386.15033	5.8
398.14890	3.8
399.15704	2.4
412.16599	4.1
416.16086	3.2
428.16129	3.1
460.18384	2.7
517.17181	9.5
520.21088	2.8
639.27991	2.5
664.24823	2.2
665.25775	2.6
696.28271	2.8
697.28461	28.6
698.28558	5.6
701.28961	2.1
722.26672	1.9
732.29840	2.1
745.30884	4.4
746.31219	4.2
755.28906	5.8
787.31995	43.5
788.31970	5.1
819.34460	100.0
820.34802	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	819.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.8
61.98830	3.6
71.01379	2.6
82.95441	0.9
87.00860	0.8
89.02455	1.7
96.99333	2.1
97.02924	0.8
101.02438	2.4
113.02454	0.9
125.02396	1.0
141.01698	58.2
142.01915	0.6
161.04500	0.5
203.98514	0.5
243.04842	0.6
253.09225	0.5
279.23282	6.8
280.23401	0.7
329.90103	0.5
361.23541	5.2
397.13489	10.4
398.13516	0.6
415.14609	2.3
419.11670	2.7
437.12567	3.7
677.37335	1.4
699.35614	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	819.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98835	3.3
71.01382	2.3
71.46531	1.9
89.02415	1.9
94.56866	1.1
101.02475	1.7
108.91609	1.2
113.02515	1.9
116.48048	1.3
141.01697	56.1
160.78421	1.4
279.23218	6.4
361.23428	6.4
375.66257	1.4
397.13495	11.4
415.14606	2.4
419.11603	2.8
437.12512	2.2
699.35461	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	819.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.96490	0.5
78.23497	0.4
81.87435	0.4
83.05002	0.7
87.73266	0.4
96.99313	1.7
98.21815	1.2
102.76250	0.4
109.69864	0.4
132.24007	0.5
132.76289	0.4
141.01692	67.3
142.05051	0.5
151.16731	0.4
177.93591	0.5
225.16005	0.9
245.75183	0.4
427.10080	0.5
599.53632	0.5
677.49646	16.7
678.49561	1.4
699.46851	1.0
757.28113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87232	2.0
59.01377	28.3
61.98805	4.9
71.01385	20.1
73.02927	4.4
80.96548	2.3
85.02959	3.3
87.00883	5.1
89.02456	16.2
92.68253	2.4
101.02463	13.9
113.02432	7.2
119.03533	2.7
132.45973	2.3
165.12875	7.4
183.12354	4.5
183.13898	74.8
191.06850	2.4
195.13849	9.8
213.14961	42.7
223.00092	2.2
227.12888	5.1
235.08195	4.0
261.04276	2.5
273.80463	2.6
273.83652	2.5
352.76379	2.3
397.13507	5.2
689.37274	2.5
821.41772	100.0
822.42010	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	823.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17640	1.4
61.98841	3.0
70.70739	2.2
71.70911	1.5
81.03456	15.4
83.05018	38.9
88.56704	1.5
92.07841	1.4
100.07684	5.7
103.09341	1.5
103.18534	1.7
106.20785	1.6
199.18092	8.6
225.16121	7.8
243.17149	17.5
268.55273	1.8
353.20941	7.2
391.33954	1.5
451.32858	1.7
457.60486	1.6
469.33865	14.1
579.37659	2.6
611.90881	1.6
695.50574	3.3
823.55493	100.0
824.56372	8.7
856.91406	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	825.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82379	73.7
140.10721	69.2
140.63542	70.5
235.17253	95.5
257.07693	100.0
267.39658	86.1
436.65253	81.2
498.88788	80.7
576.02026	86.7
603.96307	96.8
707.77893	89.8
797.87415	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
81.41850	0.8
82.06626	2.2
84.08197	0.9
87.05624	3.3
91.05579	0.9
94.06632	1.3
112.07678	1.9
119.35388	0.9
121.04110	1.6
129.09424	1.1
129.10352	15.7
130.08743	1.8
139.08784	4.8
140.07156	3.2
146.06111	1.3
153.10333	1.7
155.08253	3.7
155.11862	1.4
164.09560	3.3
165.10297	3.7
167.08383	1.1
182.12935	2.0
183.11424	1.9
197.16565	2.9
200.14076	4.7
207.15012	13.1
208.13478	1.2
214.12384	0.9
224.17641	6.9
225.16077	3.5
232.37524	1.0
241.13493	3.2
242.11769	1.9
242.18742	10.3
259.14499	5.0
268.16312	1.2
268.20459	1.1
276.17084	1.7
283.43488	0.9
295.21442	6.9
311.16705	1.2
312.17123	2.4
313.22388	5.2
330.18085	1.9
337.26132	8.1
347.20789	1.1
355.27127	4.3
363.80493	0.9
371.24539	1.0
381.24573	0.9
389.25345	1.4
420.52747	1.0
539.39050	3.4
556.35187	1.2
561.72021	1.0
573.37787	1.9
594.03625	0.9
615.42096	1.7
782.51849	100.0
783.52063	9.6
827.23303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	68.1
61.98843	19.6
69.13730	8.2
69.14126	21.0
71.01376	39.0
73.02943	10.8
81.03485	5.8
83.01379	6.4
85.02940	22.6
87.00880	7.3
89.02442	18.6
95.01448	4.5
98.22735	7.9
99.00883	5.0
99.04528	15.0
101.02441	48.7
111.00848	6.3
113.02449	19.4
116.92912	3.7
119.03500	6.3
125.02428	13.9
145.58003	3.9
175.61375	3.8
323.62604	4.4
359.27933	23.8
395.52087	4.1
503.32385	9.1
521.33264	48.3
563.34393	11.0
578.16559	4.3
665.37726	39.1
683.38568	85.2
684.38562	7.4
725.39648	11.5
815.35938	4.5
827.42780	100.0
828.42419	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
64.99062	1.3
69.59982	5.4
80.93997	1.5
117.03474	12.6
132.08835	1.4
161.02477	2.1
173.02382	4.5
185.02429	1.9
187.03996	2.5
189.01949	2.3
215.03596	2.0
217.01477	2.1
305.04568	6.1
306.05240	5.0
307.06134	6.5
317.04233	1.5
335.05600	17.1
356.21329	1.5
365.06689	7.6
410.93387	1.5
425.08789	67.7
426.09082	5.4
455.09445	2.6
545.13025	100.0
546.13257	4.6
828.34747	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	829.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98831	1.5
69.11903	1.6
69.12305	3.3
71.01366	0.8
73.04057	2.2
73.22526	0.7
74.02505	0.8
81.07094	1.5
82.06614	1.8
83.02490	0.7
84.00917	1.1
85.06571	1.3
87.87379	0.7
88.98801	2.0
89.02461	0.9
96.33459	0.7
101.02409	1.0
112.07699	3.2
113.06078	1.0
116.92847	0.9
129.10342	28.1
129.11305	1.7
130.07761	1.5
130.08742	31.0
139.08810	5.8
140.07210	1.7
141.10287	1.6
143.11920	11.0
151.08797	1.4
152.07181	0.8
157.09811	0.9
163.65392	0.7
164.14401	1.4
167.24954	0.8
168.11316	0.8
169.09836	8.4
171.10269	6.5
182.15529	4.1
186.12477	2.3
187.10913	6.6
207.14998	0.9
208.13463	7.4
224.17874	1.0
225.16089	17.0
226.14490	15.2
226.16650	1.3
239.17564	1.7
242.18755	1.6
243.17131	40.0
244.15318	1.0
244.17513	1.5
256.20352	7.1
277.21664	4.4
283.16663	2.0
300.19345	3.3
338.24435	1.2
356.25598	2.4
396.25006	11.5
397.13327	3.5
413.27539	4.3
414.26096	100.0
415.26334	4.8
470.68048	0.8
509.33719	1.2
544.77130	0.8
566.35565	1.9
584.36621	2.9
623.40094	1.6
640.43286	3.8
793.50690	5.3
829.48639	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	830.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67441	1.1
60.55585	1.1
61.59710	0.9
61.98821	2.6
66.06681	1.1
69.19476	5.0
79.86581	1.0
83.01050	0.8
98.21951	2.3
98.22607	1.9
117.03461	12.0
158.08675	1.0
161.02437	1.3
163.04034	1.4
173.02399	2.7
185.02394	2.9
187.04027	2.5
189.01881	2.1
203.03441	1.7
215.03467	3.6
217.01442	2.1
227.99751	0.9
263.07141	1.0
293.04492	1.9
305.04718	4.7
306.05215	4.4
307.06079	9.3
317.04330	1.0
323.05759	1.3
335.05606	20.0
336.06192	1.4
365.06702	10.4
375.09613	1.0
377.06128	1.1
395.07782	1.4
425.08734	84.0
426.09100	4.3
439.10379	2.5
545.12939	100.0
546.13165	5.7
559.14410	3.9
608.97711	1.0
830.36292	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	832.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
70.78734	2.1
76.74546	1.6
95.56512	1.9
100.01915	1.5
104.14252	1.6
109.18917	1.9
117.03447	12.3
125.14167	2.0
132.84322	1.8
151.99580	1.6
155.35567	1.5
173.02426	3.5
185.02385	4.4
187.04056	2.4
189.01913	2.3
217.01389	3.9
222.83382	1.7
305.04556	6.2
306.05316	4.5
307.06052	7.7
335.05621	19.0
365.06891	7.6
425.08771	88.4
426.09152	3.8
455.09518	4.3
545.13013	100.0
546.13641	4.0
634.92480	2.0
832.33655	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	832.34
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73365	1.2
88.23373	0.9
93.03432	1.5
93.74675	0.9
95.76890	0.8
109.15347	0.9
117.03452	10.6
173.02435	3.1
185.02501	2.1
189.02014	1.9
206.16714	1.0
215.03517	2.6
217.01460	2.6
277.02005	0.9
293.04642	1.2
305.04672	4.4
306.05304	4.0
307.06140	7.9
317.04413	1.2
335.05600	17.2
336.05902	1.5
365.06610	7.2
366.07025	1.1
377.06427	1.3
425.08755	73.9
426.09161	5.8
455.10135	2.6
545.12994	100.0
546.13354	7.1
547.13904	1.2
832.34454	6.4
833.34167	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	833.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
61.98805	1.0
62.24338	0.3
64.95747	0.3
69.53152	1.4
71.01395	1.9
71.17424	0.4
73.02944	9.1
89.02439	1.9
97.41846	0.4
98.32690	0.4
99.00909	0.4
101.02435	1.9
108.04556	0.8
113.02430	1.1
119.03471	1.2
120.04519	0.7
121.15751	0.4
130.02968	0.5
131.34673	0.4
132.04556	0.4
134.06145	2.7
142.39604	0.4
158.02556	2.1
160.04124	0.6
176.03508	0.5
183.06862	0.4
190.05110	11.6
191.05565	0.4
198.07658	0.5
198.09270	6.1
213.10378	0.5
214.08849	0.8
221.19618	0.4
225.06670	1.8
226.07478	5.2
227.08148	1.1
229.09814	7.2
240.10396	2.4
241.09819	57.6
242.10172	2.7
267.55063	0.4
283.10870	8.4
284.11246	0.6
297.01855	0.4
309.08679	1.1
311.86142	0.4
314.12506	1.2
315.13504	100.0
316.13809	5.2
323.10315	0.7
337.12000	3.8
338.12540	0.8
517.18256	39.9
518.18799	5.3
553.97833	0.4
635.30426	0.9
795.95776	0.5
801.30194	1.5
833.32245	2.9
834.33777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	38.2
61.98840	6.2
71.01385	21.1
71.16594	2.4
73.02943	3.1
80.05058	3.6
85.02932	5.4
89.02435	14.2
94.06656	2.7
101.02473	12.0
106.06628	4.7
113.02445	6.6
119.03528	2.8
122.06141	8.9
128.03491	2.0
131.65213	2.3
134.06114	24.7
150.05536	2.2
152.07190	7.6
164.07225	3.0
171.60783	2.1
211.08795	2.5
213.10327	5.9
222.12292	2.9
237.10242	2.6
239.11813	4.8
241.13446	5.8
249.10245	4.3
251.08344	3.0
251.11766	2.8
252.08949	2.6
252.83488	2.3
253.09695	4.4
264.09122	3.0
267.11493	3.1
277.09732	3.6
278.06888	3.7
279.07846	5.9
279.11414	9.3
285.12402	13.4
292.08267	4.1
293.09293	10.8
293.12622	3.3
294.10214	3.0
295.10675	2.6
306.07651	9.1
307.07834	3.8
307.10840	6.3
319.16666	3.4
337.12015	2.8
339.09946	4.9
358.15692	4.3
400.16553	5.0
412.16666	6.3
468.15610	3.0
637.31909	4.7
638.22937	5.6
648.21924	4.3
649.22748	3.3
666.22943	25.7
680.24408	4.3
712.27454	11.7
727.30060	5.8
771.28998	41.8
803.31433	100.0
804.31451	8.4
835.33594	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.0
61.98818	5.5
67.78163	0.8
69.03449	1.7
69.10787	5.9
71.01379	15.4
73.02928	2.9
83.01400	1.1
84.91893	0.8
85.02932	4.0
87.00866	3.9
89.02443	11.8
97.02927	2.7
99.00833	1.3
101.02438	11.3
113.02439	6.6
116.92877	1.1
119.03510	2.1
125.02412	2.2
143.03522	1.7
161.04564	1.6
165.12820	12.9
179.05588	1.3
183.13893	100.0
184.14168	2.1
221.06528	1.5
227.12965	6.9
235.08150	2.0
364.68250	1.1
397.13480	2.4
511.29205	1.1
625.26782	2.3
791.40820	4.1
817.38867	2.8
835.39709	98.6
836.39899	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	841.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59199	100.0
131.37605	32.5
227.07344	27.0
266.09116	26.1
277.21692	81.5
289.32150	30.5
309.20651	76.4
345.99622	27.8
465.67755	26.9
551.41406	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
80.68013	11.8
93.70606	12.0
104.72214	12.8
108.93703	13.1
116.92869	46.8
125.61050	12.1
152.99550	15.8
253.09203	19.9
293.21228	100.0
307.43994	13.2
386.97424	14.5
495.33694	15.1
771.55359	13.5
841.48364	60.0
864.09424	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
88.33200	0.8
93.03481	1.0
117.03471	12.2
118.27839	0.9
146.00237	0.8
161.02409	1.2
171.54189	0.8
173.02405	3.1
185.02440	1.9
187.04053	2.3
189.01898	2.3
203.03587	1.3
215.03525	2.7
217.01479	2.1
251.07205	0.8
278.75446	0.8
305.04523	4.7
306.05222	4.5
307.06122	7.6
317.04398	0.9
323.05579	1.3
335.05600	15.8
365.06641	9.0
377.95847	0.8
395.07709	1.3
418.74088	0.8
425.08768	79.2
426.09155	3.4
451.13138	0.8
455.09915	2.4
514.10406	0.9
545.12994	100.0
546.13257	4.7
558.35669	0.8
684.24048	0.9
842.36273	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	844.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98798	1.8
70.63969	2.2
93.03464	1.5
102.79086	1.3
110.97851	1.6
117.03461	11.1
143.11209	1.7
161.02448	1.6
173.02393	2.6
185.02449	2.0
187.03940	1.6
189.01917	1.8
215.03522	2.2
245.04515	1.6
277.62759	1.5
293.04651	1.7
305.04572	5.5
306.05377	4.2
307.06128	9.2
317.04456	2.0
335.05542	19.8
365.06696	7.4
425.08774	81.9
426.09167	8.7
455.09912	2.8
502.41147	1.8
545.13013	100.0
546.13318	6.6
844.37531	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	845.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33311	0.2
61.98830	100.0
63.54454	0.2
70.03431	0.5
98.21864	0.2
101.39627	0.2
129.10376	0.4
133.87228	0.2
139.08878	0.2
155.11697	0.2
207.14926	0.3
225.16405	0.2
242.18776	0.4
259.14703	0.2
287.82867	0.2
337.26324	0.3
342.45337	0.2
507.74152	0.2
686.79364	0.2
748.46906	0.2
782.51953	5.2
783.53082	0.6
784.53424	0.2
785.53442	0.6
814.25629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.336
Annotation	Unknow
Peak:m/z	Relative Intensity
108.73582	2.9
117.03467	13.4
173.02325	3.5
187.03999	3.8
212.96107	2.9
215.03537	3.9
217.01413	4.0
252.53168	3.2
305.04547	6.4
306.05408	4.6
307.06052	9.9
335.05716	20.4
365.06671	6.8
425.08780	73.8
426.09390	8.2
545.13062	100.0
546.13116	8.4
733.15582	4.0
848.33221	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	848.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
68.90142	0.8
69.56218	1.9
69.56604	2.6
71.01370	2.3
72.57077	0.8
79.88601	1.0
89.02443	1.4
101.02431	2.3
104.17583	0.8
113.02441	1.3
143.03578	0.9
153.13673	1.0
161.04585	1.2
195.13876	9.5
196.14693	2.1
223.13396	6.5
253.09299	14.4
275.20163	6.9
293.21231	100.0
294.21579	2.5
529.29993	3.0
550.04114	1.0
569.42169	2.0
635.28705	1.1
681.92944	1.1
754.49750	0.9
814.89746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98829	100.0
64.48276	0.3
69.23878	1.4
71.01373	1.0
73.74815	0.3
79.55621	0.3
89.02490	0.4
101.02490	0.4
103.70919	0.3
107.68684	0.4
113.02451	0.5
134.06149	0.9
157.77098	0.3
162.48090	0.3
171.33273	0.3
175.78630	0.3
183.13966	0.4
244.53259	0.3
251.08406	0.4
257.12854	0.4
265.09711	0.3
267.11462	0.4
330.88705	0.4
484.91333	0.3
689.34424	0.6
711.88147	0.3
787.32129	5.2
788.32501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.0
61.98816	2.3
67.64904	1.7
69.39217	6.3
71.01379	12.5
71.05002	2.9
73.02911	2.2
83.01393	2.1
85.02970	2.4
87.00854	2.6
89.02441	10.1
97.02933	4.9
97.06551	2.6
99.00896	19.3
101.02439	10.9
102.08733	1.7
113.02413	3.6
125.02393	3.5
125.09694	6.4
125.46114	1.6
130.36774	1.7
145.94817	1.8
161.04486	1.9
163.11241	5.5
165.12843	4.0
175.02425	2.4
181.12317	14.3
183.13904	22.6
199.13400	10.3
207.10274	31.3
225.11325	46.8
243.12390	24.2
671.32410	2.2
689.34027	10.9
706.28888	2.2
729.43445	2.1
781.04865	1.9
851.39166	100.0
852.39069	9.4
866.21655	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	856.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.1
71.42895	0.3
93.03484	1.0
109.48889	0.2
116.92865	0.3
117.03461	11.2
159.04543	0.3
161.02477	1.2
163.04027	0.3
170.54501	0.2
171.04599	0.3
173.02412	3.2
175.04030	0.4
177.05634	0.4
185.02426	2.6
187.04051	1.4
188.01239	0.3
189.01923	2.3
197.02432	1.6
199.03955	0.5
201.02084	0.3
203.03514	0.9
205.05069	0.3
213.02025	0.2
215.03494	2.7
217.01337	1.7
218.63945	0.2
227.03490	0.6
235.07657	0.5
241.01508	0.6
245.04552	0.8
251.07121	0.4
257.04520	0.4
261.05603	0.4
263.07129	1.0
271.02347	0.5
279.06464	0.4
283.06216	0.4
288.08279	0.2
289.05307	0.4
293.04498	0.5
293.07852	0.3
295.06186	0.4
303.36447	0.2
305.04535	6.0
305.07922	0.4
306.05292	5.0
307.06088	8.6
308.06558	0.5
309.07578	0.3
310.20306	0.5
317.04599	1.3
319.06085	0.3
321.04144	0.3
321.07550	0.4
323.05765	0.3
335.05582	18.6
336.05923	1.1
337.07083	0.8
338.04361	0.5
341.06772	0.3
347.05573	0.9
349.07074	0.4
353.06772	0.5
365.06631	9.5
366.06976	0.6
377.06509	0.6
383.07761	0.4
395.07736	1.1
407.07782	0.7
425.08759	76.2
426.08994	4.3
455.09674	2.5
487.96600	0.3
545.12964	100.0
546.13306	7.3
546.21722	0.4
856.17847	0.5
856.33936	7.8
857.34235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68610	10.9
64.98716	11.1
65.27029	10.9
89.48874	13.3
93.28765	11.8
107.84664	12.5
115.39272	12.7
116.92854	22.2
192.14070	13.6
201.89363	13.7
209.90813	12.1
237.09845	12.9
253.09323	23.0
291.19537	26.9
293.21210	100.0
303.41019	13.8
309.20724	95.9
545.29681	36.2
821.50415	84.5
857.48273	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71248	8.9
76.82913	6.6
103.01476	7.4
106.02884	6.1
155.09113	5.6
166.05270	5.5
171.10257	9.7
173.43054	6.2
204.32918	5.8
235.08310	14.8
239.13310	6.7
253.09213	29.3
277.21774	61.2
279.36075	6.0
309.20715	20.0
327.21805	100.0
460.74280	6.4
534.08350	6.8
545.29883	14.8
563.30548	17.3
680.68317	6.6
859.50366	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	863.1826
Annotation	Pavetannin B 5
Peak:m/z	Relative Intensity
70.81983	3.6
81.03440	2.5
83.01374	7.6
93.03497	3.3
95.04995	3.4
97.02919	5.0
105.03457	3.1
108.67757	2.6
109.02950	23.5
121.02947	6.6
121.70964	2.1
123.04527	17.2
125.02444	73.1
133.02956	5.0
137.02434	36.9
139.04024	5.0
145.02945	2.4
147.04521	6.4
147.31418	2.6
149.01613	2.2
149.02470	26.4
151.03961	9.8
159.04488	4.3
161.02455	37.2
161.06073	3.8
162.03253	2.8
163.00417	15.1
163.04025	3.3
164.01131	8.7
165.01871	5.4
171.04514	3.1
173.06058	4.0
174.03151	4.6
175.04022	12.0
176.01218	3.1
176.31950	2.2
177.01923	13.4
179.03537	3.2
185.06073	2.5
187.04010	8.8
188.04715	4.4
189.05559	3.5
199.03944	4.9
201.01985	4.0
202.02663	2.9
203.07144	10.2
205.01617	2.9
205.05045	9.7
211.03972	3.3
213.05598	5.2
215.03514	5.5
217.05038	8.3
227.03467	3.9
229.05074	5.3
233.01105	2.4
236.68620	2.4
241.04968	5.4
243.02969	9.8
245.04469	2.8
245.08179	14.6
255.02977	10.1
256.03638	3.2
257.04596	6.9
267.02805	3.0
270.21353	2.3
271.06158	3.0
283.02417	4.5
283.06152	2.9
285.04031	52.0
287.05673	9.2
289.07187	72.6
299.05548	24.6
307.06094	5.5
375.05096	3.1
407.07660	10.9
408.83752	3.0
411.07199	100.0
412.06885	3.9
425.08585	3.0
447.07312	7.7
451.10364	35.3
453.09442	2.8
531.09161	4.8
559.08704	16.6
573.10388	25.5
693.12195	9.1
711.13409	20.9
844.25385	2.6
863.18298	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	871.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44360	0.5
61.98826	0.8
64.55378	0.5
67.01891	0.7
69.11548	3.3
70.52579	0.5
73.07716	0.5
73.90855	0.5
99.04540	0.6
101.02422	0.9
109.02954	1.4
117.74863	0.6
121.02917	0.6
123.32729	0.6
136.01669	1.8
137.02441	17.8
138.03230	0.6
145.02927	0.8
147.00932	0.6
149.02461	1.6
151.00362	2.7
151.04004	2.2
153.05682	0.6
161.02483	0.9
162.03203	1.0
163.03998	2.3
164.01164	2.0
164.04788	1.4
165.01927	100.0
166.02708	8.1
172.30438	0.6
175.03978	2.7
176.04710	1.3
177.02176	0.6
177.05556	2.1
179.03493	17.8
179.07124	1.4
180.04282	53.9
181.05063	31.5
188.04767	0.9
189.05525	1.1
190.06352	2.9
191.03444	0.7
191.07156	2.0
192.04283	0.9
193.05040	1.8
194.05821	6.2
195.02945	2.3
195.06622	61.2
205.08650	4.3
207.06625	2.3
208.07434	2.9
209.08160	4.9
210.05327	10.2
222.09061	2.7
225.07678	42.3
226.07948	0.8
271.79242	0.6
373.12967	0.9
374.13864	0.7
375.14661	0.6
387.14948	0.8
388.15240	0.8
389.16055	13.8
403.13904	1.6
418.16483	1.0
451.16339	1.8
566.21411	0.9
567.22418	6.9
596.22278	1.3
597.23419	9.5
601.92273	0.7
615.24280	4.7
644.25012	1.0
645.25415	5.0
651.24152	0.7
750.09827	0.6
775.29523	4.5
823.31421	2.9
871.33856	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	871.417
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02984	2.9
71.01385	18.5
71.02508	2.9
73.02971	3.8
73.04070	13.3
74.02467	2.6
79.91218	2.4
82.02993	3.6
83.02518	2.8
88.04025	11.8
96.00902	15.6
96.96016	19.5
98.02486	19.5
98.95580	3.6
99.01994	3.8
99.04512	4.7
101.02437	3.0
104.03539	2.9
109.04073	12.0
110.02464	13.0
111.02002	5.3
113.03587	7.2
113.07233	7.7
114.01989	3.4
115.00379	17.4
119.05032	6.1
125.02447	5.2
125.03446	2.3
127.05157	6.3
129.10304	2.5
130.06223	3.1
130.08800	2.5
132.03027	13.6
139.05188	3.8
139.08757	3.0
141.10397	5.8
145.06230	3.3
151.08757	30.7
152.04634	6.7
152.07181	2.4
153.03062	20.1
153.06706	7.6
154.01530	3.2
155.08298	5.8
168.11400	24.9
169.09842	10.6
170.05698	22.6
170.09351	20.7
171.04118	8.0
186.12526	12.3
200.06750	2.7
201.05150	4.7
209.10414	2.5
219.06148	3.6
225.05281	4.8
225.13571	7.1
227.11462	4.1
242.07857	7.9
243.14687	6.9
265.16635	4.8
269.12579	2.9
283.17709	5.3
298.09546	2.9
300.16788	4.4
303.09082	11.1
304.09323	2.5
322.18927	19.7
340.19873	29.0
356.23254	3.4
397.22534	2.7
453.28235	2.5
510.30649	6.4
545.22473	20.0
563.14032	7.2
681.36279	3.2
711.37250	3.5
712.36499	6.1
745.25836	3.0
756.38928	20.1
827.39618	7.1
871.41840	100.0
872.42230	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	873.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.4
62.02601	0.9
70.08439	2.1
75.25727	0.9
75.28020	1.0
82.24705	0.8
82.67815	1.0
89.02412	1.0
89.40017	0.9
98.21804	0.9
99.00716	0.8
103.28374	1.0
109.02988	1.9
123.00908	1.1
125.02436	1.4
136.01616	1.7
137.02428	21.9
138.03142	1.7
147.00859	1.1
151.00369	3.5
151.03996	4.4
151.10423	1.1
152.04741	1.2
153.05608	1.2
161.02429	1.4
162.03200	2.8
163.03996	2.6
164.01187	2.6
164.04845	5.5
165.01926	100.0
166.02722	9.6
168.04279	2.7
177.01839	1.9
177.05576	2.3
179.03490	18.5
179.07104	4.3
180.04279	58.4
181.05051	32.5
192.04231	2.0
193.04854	1.2
194.05838	5.8
195.06619	71.8
207.06566	1.9
209.08191	7.7
210.05318	11.2
210.37683	1.0
224.06847	2.4
225.07668	42.1
284.90140	1.0
378.81454	1.1
391.13995	2.7
406.16373	3.2
407.17255	1.3
421.18689	18.7
439.72308	1.0
451.15765	1.1
500.64688	1.0
598.23853	2.0
599.24951	18.8
615.24158	1.1
629.26123	3.3
646.27222	1.4
647.27075	9.6
710.47723	1.0
777.31030	5.4
807.32562	1.5
825.32874	4.6
873.35565	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	882.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72181	3.2
82.02967	3.5
84.04520	1.7
87.05637	3.3
88.04037	100.0
96.00896	6.1
96.95951	1.7
98.02480	4.0
98.22600	2.0
109.04071	6.1
112.15134	1.2
113.07201	3.4
115.08781	3.4
120.04513	1.6
122.09808	1.5
125.07278	2.0
126.05579	3.7
127.05131	29.1
128.03525	6.0
129.10321	2.3
137.07196	1.9
138.05626	4.3
141.06665	6.8
143.11891	12.5
151.08768	7.3
153.06625	1.7
153.10341	2.5
167.11885	5.6
169.09743	3.1
177.10403	1.6
180.07790	1.9
181.06219	5.0
183.11397	1.9
186.12462	2.9
187.10803	2.1
195.11365	12.7
199.22464	1.4
200.14069	20.5
236.13989	3.0
240.17160	15.4
279.14584	11.7
284.16138	30.5
297.15710	13.6
298.13852	2.2
307.55548	1.4
432.26065	7.4
454.26660	2.0
476.24966	4.6
565.29907	45.1
566.28711	2.2
583.31110	5.9
645.28662	2.7
663.29987	22.9
681.30518	2.0
864.44666	52.5
882.45758	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.6
68.03270	0.4
69.09481	0.7
69.09886	2.3
70.30428	0.4
71.01393	0.4
77.03963	0.8
79.01874	0.5
92.84809	0.5
93.03456	0.8
99.20098	0.4
105.03431	0.5
117.03466	3.7
121.02920	1.1
123.99774	0.4
135.04526	0.9
149.02423	0.5
150.06601	0.4
150.33998	0.5
159.04477	1.0
161.02423	2.1
163.04005	0.5
165.01924	0.8
183.04498	0.7
197.06042	0.5
224.04782	0.5
230.34912	0.4
231.68877	0.4
239.07149	1.3
240.48122	0.5
269.04443	3.3
281.04605	4.4
282.05350	2.7
283.06110	31.4
284.06445	1.2
293.04547	1.3
295.06100	3.6
309.03952	0.6
311.05606	52.5
312.06052	1.8
314.04303	1.0
320.69812	0.5
323.05637	6.5
325.06964	0.7
341.06638	19.7
342.06705	0.8
353.06543	2.3
355.08212	0.5
388.59836	0.5
431.09814	100.0
432.10092	4.0
478.87057	0.6
514.19531	0.5
593.10468	0.5
857.55872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98830	26.1
70.72837	1.3
71.01379	15.4
73.02941	2.5
85.02940	4.3
87.00883	2.1
89.02443	10.3
101.02438	10.7
113.02445	5.3
125.02454	2.3
147.46866	1.3
165.12881	10.8
183.13893	52.1
192.90155	1.5
227.12892	5.6
277.21765	23.6
397.13535	4.0
531.20007	1.5
885.48474	100.0
886.49017	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17037	0.5
69.27984	2.5
96.96046	0.6
132.98175	2.0
134.56503	0.6
173.92128	0.5
174.99232	30.4
207.00241	0.5
215.95981	1.4
217.00282	100.0
218.00519	0.9
434.55493	0.6
459.86856	0.6
715.44263	5.3
755.30859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.479
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19188	1.2
70.19693	2.7
71.01380	12.7
71.05022	4.7
73.02919	1.8
73.91412	1.2
80.96540	1.7
83.05016	1.5
85.02947	2.8
87.00871	3.1
89.02446	6.1
89.09595	1.3
97.02948	3.8
97.06585	2.2
99.00879	15.4
100.68745	1.6
101.02464	7.8
102.46658	1.4
106.11698	1.2
110.03823	1.4
113.02444	4.4
115.25430	1.2
123.08140	2.8
125.02393	1.7
125.09728	7.3
138.13472	1.4
157.10147	1.2
163.11267	11.3
167.76453	1.6
181.12372	12.8
193.42795	1.4
199.13399	6.0
206.18936	1.2
207.10283	23.3
225.11325	24.7
243.12309	12.5
277.21747	19.2
397.13379	3.5
402.41678	1.6
562.19788	1.7
901.47980	100.0
902.48169	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43138	1.4
70.09634	1.8
70.09969	3.4
70.84055	1.5
71.01380	8.9
71.05025	3.1
73.02950	1.8
80.96490	2.2
81.03448	2.1
85.02932	2.9
87.00885	3.6
89.02433	5.9
97.02922	5.0
97.06587	1.5
99.00871	18.9
101.02450	9.9
110.03702	2.5
110.76514	1.6
113.02453	3.1
119.03500	1.7
125.02438	2.0
125.09718	7.9
129.00754	1.4
135.55574	1.8
136.40744	1.4
151.57864	1.4
163.11285	8.8
181.12308	17.1
199.13374	10.2
207.10243	31.0
213.25154	1.7
221.06676	3.4
225.11298	37.2
243.12355	23.5
253.09021	1.8
277.21631	10.8
293.21445	1.5
305.09253	1.9
365.04654	1.7
512.37366	1.4
578.14221	1.7
641.27063	2.2
901.47925	100.0
902.48315	5.1
913.64673	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	907.6486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82927	0.7
76.08163	0.2
81.03454	0.9
83.05025	2.5
84.39093	0.2
97.06598	0.3
98.22560	0.5
102.18973	0.2
125.09696	1.1
127.11284	2.1
155.14409	0.7
165.12849	0.6
167.14404	1.3
171.10255	2.1
183.13812	1.1
184.19011	0.2
189.90678	0.2
193.12358	0.5
195.23834	0.2
204.03625	0.2
209.11794	2.2
211.13397	7.1
224.17552	0.3
225.16119	2.6
229.14433	100.0
230.14877	1.4
367.27371	0.3
451.32779	1.6
494.56158	0.3
494.63141	0.3
550.42926	0.3
593.43933	0.3
659.48425	0.4
677.49664	36.8
678.50543	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	925.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
71.01383	14.7
73.02946	19.9
75.00854	1.3
77.03992	2.2
79.05508	1.2
81.03445	2.4
83.01408	6.2
85.02935	5.2
86.41753	0.8
89.02441	9.8
93.03442	1.7
95.01366	1.7
97.06616	1.0
99.04523	63.0
101.02450	33.1
113.02443	14.4
113.06096	1.9
117.03464	8.5
119.03495	6.5
119.04990	0.8
121.02955	2.2
123.04516	12.0
125.02454	30.3
127.05170	0.8
131.03491	2.0
135.04507	2.2
141.05589	1.1
143.03502	7.5
147.03011	1.0
147.04529	0.9
149.02443	2.3
149.04521	5.8
153.05545	2.4
159.04491	2.2
161.02551	4.2
161.04558	20.8
163.00288	0.9
163.04022	2.8
179.05640	8.7
191.03442	1.0
197.06087	0.9
203.03732	1.0
203.05594	1.7
206.53297	0.8
215.07231	0.9
221.06644	7.6
225.05638	0.9
239.07112	2.2
261.09766	1.4
263.07724	3.7
268.03781	2.2
269.04523	1.7
281.04440	3.8
282.05215	2.1
283.06116	48.3
293.04480	2.6
295.06268	1.0
311.05609	70.4
312.05884	2.0
323.05603	3.3
323.09802	10.8
331.40485	0.8
341.06604	9.7
353.06387	1.3
391.19974	1.2
431.09808	75.5
432.10110	2.9
447.08932	0.8
449.24048	5.8
493.22910	100.0
494.23050	2.5
502.12805	0.9
682.40576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
81.43881	0.7
87.19976	0.8
115.02508	6.1
117.00451	5.7
156.11841	0.7
157.03600	2.5
159.01489	86.7
160.01614	10.5
161.01170	8.6
174.99219	1.3
201.02553	35.1
202.02708	6.9
203.02191	4.6
217.00323	1.5
221.63336	0.9
224.94032	1.0
253.77237	0.9
259.01553	4.1
301.02646	100.0
301.99283	1.5
302.02802	28.6
303.02472	33.1
317.00485	1.6
343.03760	5.6
344.03531	1.4
345.03571	2.1
359.01947	1.5
361.01364	1.4
401.02768	2.9
402.02869	1.4
403.02493	1.6
443.03784	18.5
444.03925	8.4
444.98059	1.4
445.03763	13.7
527.02942	1.0
732.99750	1.0
879.00201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69823	0.8
78.95900	29.0
81.86931	1.1
96.96027	1.0
96.96952	2.1
127.19718	1.0
152.99585	41.1
171.00648	9.6
200.04350	0.9
208.11351	1.1
227.03287	2.5
245.04315	52.2
253.21742	23.5
255.23308	1.2
469.38141	1.3
481.25742	100.0
545.78851	1.0
911.71918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
79.62956	0.5
83.05023	1.0
91.62624	0.5
99.01994	0.6
120.81183	0.5
124.91686	0.5
207.14925	0.6
225.16200	0.7
231.13747	0.5
300.07486	0.6
520.53516	0.6
572.38470	0.7
903.66357	1.6
939.64166	100.0
940.64325	2.0
974.34564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43746	0.4
78.95905	57.4
96.96968	6.9
150.98019	2.2
152.99591	100.0
171.00659	3.9
196.90103	0.4
209.11720	0.4
243.06633	0.4
245.67877	0.4
277.21762	0.9
284.39639	0.5
431.22031	35.3
432.22467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6713
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07890	0.6
69.28092	2.1
69.28491	0.8
74.01778	0.5
77.53971	0.5
81.03446	3.8
83.05022	10.1
89.02471	0.6
100.49696	0.6
172.72206	0.5
224.17674	1.8
225.16058	10.1
230.23383	0.6
450.34460	0.9
451.32901	8.7
470.62219	0.7
473.08215	0.6
539.57806	0.7
677.49573	1.8
858.08423	0.7
903.66528	100.0
904.66949	4.1
946.66620	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	953.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	1.7
82.02992	3.7
82.06607	1.6
87.05648	6.5
88.04043	100.0
95.35605	1.6
96.00925	8.7
96.95996	4.2
98.02454	6.1
104.00581	1.9
109.04082	6.1
109.04778	1.7
110.02493	1.9
113.07217	27.4
115.08775	22.8
126.05584	5.3
127.04222	3.1
127.05131	40.4
128.03545	5.8
137.07179	1.9
138.05576	4.3
141.06717	5.1
141.10440	1.9
152.07170	6.6
153.06589	2.9
155.08180	2.1
159.07768	15.7
167.11876	2.0
169.09839	3.5
177.10376	2.3
180.07660	3.9
181.06183	4.3
195.11378	7.5
198.08807	1.8
200.14058	24.7
212.14059	6.5
214.15715	8.6
222.16068	3.3
236.14018	7.8
280.13211	2.1
311.20911	10.8
351.20844	1.9
355.19873	34.7
376.19861	5.7
394.20859	14.7
576.13940	2.0
614.17413	2.3
636.33569	30.2
654.34430	8.0
734.33722	22.5
802.05396	1.9
935.48346	64.2
936.49231	2.4
953.49408	50.6
954.50061	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	961.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	9.5
71.05035	2.1
73.02957	2.6
83.01387	2.7
85.02953	2.2
87.00877	4.3
89.02444	11.4
96.96010	1.0
97.06591	3.3
99.04520	13.1
101.02440	10.9
107.05013	8.1
113.02456	7.5
119.03513	4.7
120.05824	2.3
125.02460	8.4
135.04532	2.6
135.07977	1.1
143.03456	2.1
161.04503	1.9
161.09723	5.6
161.13345	4.2
163.11327	1.3
176.59337	1.0
187.11296	10.0
189.09233	4.3
200.79988	0.9
203.10739	1.1
203.37686	0.9
205.12379	4.4
207.10289	4.3
223.13377	43.0
225.15289	1.0
249.11316	5.5
267.12363	100.0
309.13367	2.6
358.05154	1.2
369.15152	1.8
369.19449	2.4
387.20120	6.9
429.17484	94.8
469.24335	1.2
531.24493	29.4
615.65692	1.0
961.44775	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	963.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14133	0.3
69.14475	1.8
73.98566	0.2
78.95900	26.6
82.12976	0.2
96.96967	1.9
98.22623	0.5
100.36131	0.3
104.54959	0.3
108.26137	0.3
110.35033	0.3
152.99585	40.2
161.67848	0.3
171.00635	10.8
227.03246	2.4
234.92244	0.2
245.04294	51.3
246.04611	0.3
253.21718	22.2
254.22183	0.3
276.29550	0.3
340.84634	0.3
449.20200	0.3
454.90533	0.3
481.25696	100.0
482.25983	2.3
492.87714	0.3
655.70825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6864
Annotation	Unknow
Peak:m/z	Relative Intensity
76.74358	0.3
81.03455	6.8
82.06616	0.5
83.05025	16.4
87.39024	0.3
108.04503	0.7
110.39858	0.3
119.24820	0.2
124.50076	0.3
125.07195	0.9
143.08264	0.4
169.57846	0.3
172.58217	0.2
207.14955	1.1
219.09593	0.2
220.43930	0.3
224.17700	2.8
225.16077	10.2
242.18756	0.5
309.21707	0.8
309.39059	0.3
333.22931	0.4
341.29309	1.4
367.27167	1.1
433.31561	1.4
450.34476	1.1
451.32864	10.3
451.75885	0.3
452.32965	0.4
477.96075	0.3
506.44614	0.3
535.39246	0.3
550.43402	0.7
567.46088	0.6
676.52264	0.4
677.49493	2.0
776.60291	0.7
885.64917	0.4
903.66498	100.0
904.66803	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	965.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24408	12.0
71.01380	23.5
73.02937	2.6
73.30467	2.3
83.01398	2.8
85.02952	7.3
89.02444	16.9
101.02441	11.1
103.07111	2.2
106.06623	6.3
113.02442	8.4
119.03474	5.9
122.06092	8.4
132.74663	2.4
134.06119	40.8
143.61945	2.3
152.07156	5.8
190.05008	2.4
213.10350	8.6
239.11893	7.4
241.13495	4.8
242.87601	2.2
263.08533	3.1
277.09784	2.3
285.12445	14.1
328.10876	3.5
340.14514	3.2
341.11963	2.2
342.12442	3.0
344.13998	3.4
351.43176	2.4
356.14029	5.0
358.15558	8.6
370.11600	2.7
384.13358	6.5
385.13824	2.4
396.13562	3.1
400.16727	9.2
412.16382	5.1
426.14597	3.6
438.14703	2.9
458.17181	2.6
469.21445	2.1
477.21881	2.2
545.21906	2.8
605.23462	2.2
689.95056	3.1
709.28912	2.8
711.26807	2.9
727.29364	13.5
753.27551	10.9
771.28796	81.7
772.29407	3.3
785.30334	95.6
786.31451	3.4
803.31421	100.0
839.83344	2.5
845.32922	5.2
933.34143	5.7
938.09778	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.5
85.02937	5.7
89.02456	6.8
101.02448	5.7
106.06660	2.7
113.02460	4.7
119.03496	2.7
122.06128	3.1
122.82390	2.6
134.06093	19.1
136.60106	2.6
149.42398	2.4
150.79144	2.7
152.07130	4.2
177.39726	3.2
213.10304	10.3
239.11938	6.0
241.13573	4.0
267.11407	6.5
285.12527	19.7
316.14532	4.5
328.10876	4.0
337.11859	2.7
340.14465	7.1
358.15515	6.0
384.13358	4.5
398.15030	4.4
400.16873	7.7
412.16446	6.8
426.14728	3.7
540.54114	2.8
727.29968	4.2
731.28302	4.3
753.27393	18.0
771.28821	99.3
772.28961	3.7
785.30115	8.5
803.31451	100.0
804.31842	4.8
813.30438	3.4
845.31934	7.2
912.50574	3.6
965.36694	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	966.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11629	7.5
81.03458	1.3
83.04978	2.3
84.05374	1.3
98.38624	1.4
106.20105	1.3
178.33481	1.4
180.10565	1.3
360.82217	1.3
805.34106	1.9
905.66882	9.3
906.67548	16.6
966.66125	100.0
967.66028	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	967.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14142	3.2
69.14567	3.2
71.01387	13.9
73.02956	0.9
83.01363	1.3
85.02943	3.5
87.00887	1.6
89.02422	8.9
92.26465	1.1
94.06596	1.0
101.02439	8.0
106.06597	2.4
113.02444	4.6
116.60823	1.0
119.03496	2.0
120.08180	3.4
122.06123	8.0
130.62453	0.9
134.06117	21.4
136.07536	1.4
150.05597	1.5
150.74211	1.1
152.07129	4.9
191.39665	1.0
211.08720	1.6
223.08813	2.1
224.09479	1.3
225.10307	2.8
237.06622	2.7
237.10309	3.0
238.11119	1.3
239.11870	3.4
250.07463	1.2
251.08241	6.4
251.11952	2.9
252.08937	1.5
253.09602	1.6
263.08109	1.3
264.08975	3.6
265.09808	6.7
277.09744	3.7
278.10535	1.6
279.11295	8.4
281.12817	1.4
283.10748	1.2
291.11206	1.6
305.09058	0.9
307.10764	1.7
314.12543	2.9
323.10306	2.6
370.15567	1.3
371.16138	1.2
384.17346	2.2
386.18839	1.9
398.15030	2.0
399.15503	1.6
416.16690	1.1
430.17664	2.9
444.19098	1.3
454.63336	1.1
470.17383	1.1
472.18811	1.2
578.21173	2.5
610.24213	2.2
633.22894	1.5
651.24261	1.5
683.26935	2.0
773.30151	10.3
787.32129	22.0
797.29913	1.4
805.33014	100.0
806.33167	2.2
819.34119	2.5
829.32910	25.8
847.33917	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	967.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13062	1.4
71.01382	15.5
71.27557	0.6
73.02936	1.2
83.01363	1.2
85.02946	5.5
87.00869	1.3
89.02436	12.0
95.01383	1.9
101.02448	8.9
104.05030	1.0
106.06621	3.3
113.02450	3.9
119.03526	3.3
120.08188	3.2
122.06121	10.2
132.04579	1.2
134.06122	30.2
136.07629	0.7
148.07668	0.6
150.05568	1.0
152.07190	5.2
154.49767	0.6
160.04033	1.5
161.04771	0.8
174.05624	1.0
175.02518	0.8
190.05072	2.5
191.85466	0.7
211.08800	1.3
213.10303	1.5
215.11858	1.9
221.10971	0.9
223.08734	2.6
224.09558	1.4
225.10255	2.5
227.11809	1.2
235.12479	0.8
236.09509	0.8
237.06717	0.9
237.10298	3.0
238.11128	1.8
239.11890	4.9
241.13457	2.5
249.06645	1.2
249.10226	1.2
251.08162	3.6
251.11926	2.6
253.13420	1.1
261.10648	0.9
263.08316	1.6
263.11786	1.7
264.08963	4.9
265.09790	5.6
267.11230	1.1
269.12930	0.7
276.08890	1.0
277.09756	2.9
278.10483	0.9
279.11356	11.5
280.12241	1.3
281.12903	1.3
283.10922	1.4
285.12347	0.8
287.13913	0.7
291.07816	0.7
291.11389	2.0
292.08432	0.9
292.11960	1.0
293.12854	0.6
305.09418	1.6
307.10873	2.3
314.12302	1.4
323.10342	1.5
324.11050	0.8
330.12711	0.8
337.11801	2.6
339.13474	1.3
344.13873	0.8
346.15524	0.9
356.10245	1.1
358.15500	1.0
359.16510	0.9
360.17276	4.3
369.14859	1.2
370.11862	1.1
372.13220	0.8
372.17426	1.1
373.14264	1.2
374.14957	1.0
384.17291	3.7
386.14948	4.4
386.19125	0.7
396.13171	0.9
398.14886	1.8
400.16525	0.8
401.17230	0.9
402.18228	2.2
412.17130	0.7
414.17825	1.4
427.19336	0.9
428.16135	2.3
430.17477	1.0
440.16214	0.8
444.19217	1.5
446.16937	0.9
459.18057	0.8
460.18680	3.9
472.18723	1.3
473.19379	0.9
490.20126	1.0
517.18304	0.9
591.60724	0.9
606.24677	2.0
610.24152	1.3
650.23761	1.6
651.24066	1.5
652.25006	0.8
682.26276	3.0
687.30127	2.6
711.30743	1.1
713.28357	2.2
729.31476	4.8
735.03021	0.8
755.29346	7.3
769.30829	1.4
773.30341	40.8
774.30927	0.9
787.31970	67.1
788.32275	2.5
805.32996	100.0
806.33179	3.7
819.92731	0.7
829.33069	1.9
847.34753	5.7
957.51501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81071	0.5
69.03444	0.5
69.97514	0.6
69.97847	1.0
71.01015	0.7
71.01382	7.4
72.99284	0.5
73.02899	0.6
78.85181	0.5
83.01395	0.5
85.02937	1.8
87.00880	1.3
89.02440	6.1
97.02943	0.6
101.02441	5.6
113.02439	3.0
119.03471	1.3
125.02428	1.5
131.03470	0.9
143.03537	0.8
161.04572	1.8
179.05579	1.5
179.14418	0.7
195.13876	8.8
196.14795	0.8
205.12378	0.8
221.06531	0.7
223.13358	6.3
235.08286	1.6
249.11163	1.5
253.09206	1.1
255.23283	0.7
256.13095	1.2
274.48007	0.5
275.20175	5.0
284.29404	0.5
293.21216	100.0
294.21472	1.2
379.12735	0.8
397.13501	17.2
397.18759	0.9
415.14587	9.6
433.14185	0.5
483.26608	0.7
497.40945	0.5
569.42340	1.4
572.76611	0.5
673.34137	1.1
691.35199	3.7
949.39331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27191	6.1
71.01382	23.1
73.02943	32.6
74.02468	1.3
79.05534	1.8
79.39647	1.0
81.03456	3.5
83.01382	8.7
85.02953	4.0
89.02450	17.4
95.01424	1.9
96.86923	1.0
99.04518	38.3
101.02448	38.4
113.02437	15.2
113.06098	3.1
117.03480	1.9
119.03513	11.9
123.04524	11.9
125.02444	32.8
131.03517	3.4
143.03500	6.1
149.04559	6.8
153.05530	1.9
161.04553	13.8
161.06078	7.8
163.03992	1.2
177.09232	1.7
179.05621	13.6
184.41916	1.2
189.05716	1.3
203.07248	1.8
204.07948	3.2
219.10294	5.6
221.06709	2.6
244.63058	1.0
283.06113	14.8
311.05655	20.5
323.09946	2.4
341.06644	3.3
399.16647	13.9
431.09732	14.1
441.17606	5.6
447.09479	1.4
499.22095	4.8
543.20831	100.0
575.14014	1.2
613.64691	1.2
642.95764	1.2
942.66339	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	975.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	29.9
80.30429	1.0
102.58478	1.2
103.97115	1.0
140.01184	6.1
152.99570	4.0
196.03809	8.5
214.04794	2.1
279.23291	100.0
280.23502	1.7
441.00195	1.2
476.27817	94.4
477.28146	2.2
767.86725	1.3
975.54712	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	976.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
72.15797	0.6
77.92553	0.6
78.95904	27.6
96.96974	2.1
103.17601	0.7
152.99591	39.2
171.00645	11.0
227.03256	2.2
245.04305	50.3
253.21732	21.5
285.31689	0.6
321.59021	0.7
426.60077	0.6
481.25723	100.0
482.26077	1.2
732.47296	0.7
854.28204	0.7
1003.20258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25986	1.1
70.71301	1.1
71.01391	7.1
77.70488	1.1
79.52718	1.1
85.02967	1.3
88.94008	1.2
89.02437	4.2
90.70003	1.1
90.79370	1.1
99.00326	1.2
101.02451	3.3
108.04562	1.3
113.02454	2.7
119.03509	2.2
120.04552	2.1
122.06138	4.4
125.02412	1.3
134.06125	5.6
147.03297	1.2
150.05612	2.1
150.44981	1.2
152.07175	1.5
225.06747	1.3
225.10315	1.2
226.07388	1.8
232.76505	1.2
237.06667	1.5
238.07449	2.9
239.08261	2.7
239.11923	2.6
241.09816	1.3
242.86607	1.2
249.06580	1.4
250.11252	1.5
251.08220	3.1
251.11993	1.2
252.05539	1.5
253.06204	2.5
253.09885	2.5
264.08981	2.5
265.06122	3.0
265.09772	2.2
266.06940	14.2
267.07748	7.8
267.11447	2.4
276.08984	1.4
277.07147	1.2
277.09879	4.7
278.07352	1.7
278.10651	1.3
279.07706	6.6
279.11002	2.2
280.08487	4.5
281.09302	2.8
285.04019	1.7
291.07907	1.7
293.09320	4.6
294.10052	4.0
295.10806	6.8
296.11575	1.4
298.09674	4.2
299.10406	2.0
306.06628	2.3
307.07150	1.5
321.08807	6.8
322.09454	4.0
323.10458	1.9
339.09735	2.2
340.10443	1.9
353.11383	7.3
354.12131	11.8
355.12961	2.7
386.15039	1.5
388.12848	3.4
398.15109	1.6
400.12488	1.5
401.13815	1.1
402.14304	1.6
415.15109	2.6
416.15970	3.8
420.15829	2.9
428.12119	1.7
443.14825	3.5
444.15247	2.0
460.14926	3.2
474.16010	1.9
475.17468	19.0
476.18152	4.5
655.24353	1.5
759.31927	1.4
771.28650	11.9
785.30988	2.6
789.29614	11.5
803.31464	100.0
821.32550	33.1
863.33844	2.0
951.34479	2.7
983.37250	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	989.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11307	3.9
69.11713	1.6
78.95901	29.3
87.46216	0.7
96.96987	1.9
150.97946	0.9
152.99585	41.8
171.00623	9.2
182.40816	0.7
227.03302	3.8
245.04297	36.7
253.21729	14.1
279.23288	100.0
279.63541	0.7
280.23605	1.7
294.17349	0.7
396.69565	0.8
481.25708	64.2
482.25961	1.0
507.27264	87.1
508.27322	0.9
709.27832	0.8
947.62170	0.8
985.87463	0.9
1019.69238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	42.2
96.96956	1.4
102.34782	0.7
122.00154	1.1
140.01187	6.7
152.99609	6.6
163.62610	0.8
171.00667	5.1
196.03786	8.9
214.04842	1.9
276.90558	0.8
279.23285	100.0
476.27808	85.4
477.27954	1.4
926.45502	1.0
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
69.11475	0.5
69.11887	1.1
76.04378	0.2
78.95905	6.3
79.38453	0.2
91.65868	0.2
118.55191	0.2
122.00127	0.3
140.01186	2.5
152.99593	0.9
171.00565	0.3
176.05638	0.2
188.15321	0.3
196.03796	1.0
214.04868	2.8
223.81879	0.3
254.27402	0.3
261.22247	0.3
279.23294	100.0
280.23679	1.1
434.22144	0.2
476.27820	58.2
477.28073	1.0
959.63403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	24.6
84.30113	0.4
93.42843	0.5
102.86809	0.5
122.00192	0.7
140.01190	4.8
152.99570	2.5
171.00577	0.6
196.03769	7.7
214.04872	2.4
279.23276	86.4
280.23495	1.2
335.23938	0.5
476.27786	100.0
477.28305	1.4
520.64502	0.5
841.30627	0.5
921.34625	0.6
END